smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[C@@H]2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(Br)c2)CC1 ZINC000002183612 132248505 /nfs/dbraw/zinc/24/85/05/132248505.db2.gz YZZSRVHNVXGPPW-IBGZPJMESA-N 0 3 449.393 3.168 50 0 IGAAHN CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1 ZINC000020775723 519438115 /nfs/dbraw/zinc/43/81/15/519438115.db2.gz DOPQZYUYPWKEMK-UHFFFAOYSA-N 0 3 431.584 3.394 50 0 IGAAHN CC1CCN(C(=O)c2csc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)c2)CC1 ZINC000021884723 520989777 /nfs/dbraw/zinc/98/97/77/520989777.db2.gz HJXOPZBSJRIGIQ-UHFFFAOYSA-N 0 3 439.647 3.259 50 0 IGAAHN CC1CCN([C@@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c2cccs2)CC1 ZINC000022681088 521033840 /nfs/dbraw/zinc/03/38/40/521033840.db2.gz NLXRPCMNZRNKKD-FQEVSTJZSA-N 0 3 447.626 3.491 50 0 IGAAHN CCS(=O)(=O)c1ncc(CN2CCC[C@@H](CN3CCCC3)C2)n1Cc1ccccc1 ZINC000012299913 521694880 /nfs/dbraw/zinc/69/48/80/521694880.db2.gz SEUQTQALKGHYES-NRFANRHFSA-N 0 3 430.618 3.033 50 0 IGAAHN COCCNC(=O)[C@@H]1C[C@@H](NCc2cc(F)ccc2F)CN1Cc1cccc(Cl)c1 ZINC000020601029 523913646 /nfs/dbraw/zinc/91/36/46/523913646.db2.gz UNKZGFWTTIKYJJ-CTNGQTDRSA-N 0 3 437.918 3.114 50 0 IGAAHN CO[C@H]1CCCN(C(=O)C2CCN(C3CCN(c4nc5ccccc5o4)CC3)CC2)C1 ZINC000020537222 523969055 /nfs/dbraw/zinc/96/90/55/523969055.db2.gz VCBXJUOATDFGLI-FQEVSTJZSA-N 0 3 426.561 3.146 50 0 IGAAHN Cc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(C)c1 ZINC000020782855 524476037 /nfs/dbraw/zinc/47/60/37/524476037.db2.gz JXEOTBPZPSZBJN-HSZRJFAPSA-N 0 3 432.572 3.475 50 0 IGAAHN COc1ccc([C@H]2CCCN2CCOc2ccc(S(=O)(=O)N(C)C)cc2)c(OC)c1 ZINC000012799473 525414221 /nfs/dbraw/zinc/41/42/21/525414221.db2.gz NPYXDRDKUKRAOJ-OAQYLSRUSA-N 0 3 434.558 3.170 50 0 IGAAHN Cc1ccnc(N2CCC[C@H](C(=O)NCC3CCN(Cc4cccc(F)c4)CC3)C2)n1 ZINC000035454379 525666558 /nfs/dbraw/zinc/66/65/58/525666558.db2.gz FBGWSUGCAROHQX-NRFANRHFSA-N 0 3 425.552 3.169 50 0 IGAAHN Cc1ccnc(N2CCC[C@@H](C(=O)NCC3CCN(Cc4cccc(F)c4)CC3)C2)n1 ZINC000035454384 525667401 /nfs/dbraw/zinc/66/74/01/525667401.db2.gz FBGWSUGCAROHQX-OAQYLSRUSA-N 0 3 425.552 3.169 50 0 IGAAHN Cc1ccnc(N2CCC[C@H](C(=O)NCC3CCN(Cc4ccccc4F)CC3)C2)n1 ZINC000035454327 525667839 /nfs/dbraw/zinc/66/78/39/525667839.db2.gz XONMBEUECBMFLY-NRFANRHFSA-N 0 3 425.552 3.169 50 0 IGAAHN O=C(CCC1CCN(C(=O)c2cscn2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012202630 526408972 /nfs/dbraw/zinc/40/89/72/526408972.db2.gz DYYKJQWOZXDYEK-HXUWFJFHSA-N 0 3 426.586 3.166 50 0 IGAAHN O=C(c1cccc(Cl)c1)N1CCC(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000012342237 526757958 /nfs/dbraw/zinc/75/79/58/526757958.db2.gz CLPRLNIDUQTVOX-IBGZPJMESA-N 0 3 429.879 3.005 50 0 IGAAHN O=C(c1cccn1-c1nnc(N2CCCCC2)s1)N1CCN(C2CCCCC2)CC1 ZINC000021535409 526816448 /nfs/dbraw/zinc/81/64/48/526816448.db2.gz PDCLIANOEGYRIK-UHFFFAOYSA-N 0 3 428.606 3.410 50 0 IGAAHN O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000012816837 527001594 /nfs/dbraw/zinc/00/15/94/527001594.db2.gz YXALRGVIQSMXTB-LOSJGSFVSA-N 0 3 427.548 3.418 50 0 IGAAHN Cc1nn(C)c(C)c1CN(Cc1ccc(OC[C@@H](O)CN2CCCCC2)cc1)C1CC1 ZINC000012593896 527627314 /nfs/dbraw/zinc/62/73/14/527627314.db2.gz HVYHOCJGOTWXTH-QHCPKHFHSA-N 0 3 426.605 3.427 50 0 IGAAHN Nc1nonc1C(=O)NCCNCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000002228062 555759913 /nfs/dbraw/zinc/75/99/13/555759913.db2.gz KABGULJJPRGKSF-UHFFFAOYSA-N 0 3 435.459 3.043 50 0 IGAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000002345633 555770512 /nfs/dbraw/zinc/77/05/12/555770512.db2.gz RWYQVNKLGGZCFL-OAQYLSRUSA-N 0 3 434.492 3.467 50 0 IGAAHN COCCN(C[C@H]1CN(Cc2ccccc2OC)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740543 555883677 /nfs/dbraw/zinc/88/36/77/555883677.db2.gz YYCRONDSBPKGJX-FYYLOGMGSA-N 0 3 444.547 3.171 50 0 IGAAHN Cc1cccc(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)n1 ZINC000011821733 556362871 /nfs/dbraw/zinc/36/28/71/556362871.db2.gz ALZIFGFMUAPVIT-UHFFFAOYSA-N 0 3 430.980 3.378 50 0 IGAAHN COc1ccccc1/C=C/CN1CCC2(CC[C@H](CNC(=O)C3CCOCC3)O2)CC1 ZINC000011840074 556364712 /nfs/dbraw/zinc/36/47/12/556364712.db2.gz IUERSMPPWVUPGE-UKKYDJSUSA-N 0 3 428.573 3.265 50 0 IGAAHN COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccc(OC)cc3)CC2)C1=O ZINC000014535011 556422766 /nfs/dbraw/zinc/42/27/66/556422766.db2.gz KAWNRDDZWBNXQB-UHFFFAOYSA-N 0 3 437.540 3.141 50 0 IGAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N1CCC(Cc3ccccc3)CC1)C2 ZINC000014742405 556439370 /nfs/dbraw/zinc/43/93/70/556439370.db2.gz MMZGEXBSLLLSJZ-OAQYLSRUSA-N 0 3 438.641 3.421 50 0 IGAAHN CCOc1ccc(CN2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)cc1 ZINC000014886173 556455514 /nfs/dbraw/zinc/45/55/14/556455514.db2.gz DOVLLYIZFWEZCO-NRFANRHFSA-N 0 3 426.561 3.071 50 0 IGAAHN CC1CCN([C@H](CNC(=O)NCc2ccnc(N3CCOCC3)c2)c2cccs2)CC1 ZINC000029323698 556472283 /nfs/dbraw/zinc/47/22/83/556472283.db2.gz BQYKCJUOFIPLPF-HXUWFJFHSA-N 0 3 443.617 3.252 50 0 IGAAHN Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCCN3CCCC[C@H]3C)s2)cc1 ZINC000032995153 556610265 /nfs/dbraw/zinc/61/02/65/556610265.db2.gz WDURUQWLVPQMKP-QGZVFWFLSA-N 0 3 429.590 3.412 50 0 IGAAHN Cc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)N(C)C)cc1 ZINC000062580303 556684221 /nfs/dbraw/zinc/68/42/21/556684221.db2.gz VZDQBOHRYXJPOK-HSZRJFAPSA-N 0 3 443.613 3.448 50 0 IGAAHN O=C1C[C@@H](NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000018204275 556686626 /nfs/dbraw/zinc/68/66/26/556686626.db2.gz SYSHFXMDZYEOCI-QGZVFWFLSA-N 0 3 436.409 3.130 50 0 IGAAHN CCOc1ccc(OCC)c(NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)c1 ZINC000058217952 556772945 /nfs/dbraw/zinc/77/29/45/556772945.db2.gz BXBRAXXYVPLRPR-UHFFFAOYSA-N 0 3 427.545 3.055 50 0 IGAAHN CCN1CCN(C[C@@H](O)COc2ccc(CN(C)Cc3ccc(C)cc3)cc2OC)CC1 ZINC000019606684 556831386 /nfs/dbraw/zinc/83/13/86/556831386.db2.gz JKMCBIGVANZNDQ-XMMPIXPASA-N 0 3 441.616 3.013 50 0 IGAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000065362276 556834305 /nfs/dbraw/zinc/83/43/05/556834305.db2.gz JHRUXQCZFLRWRA-UHFFFAOYSA-N 0 3 443.551 3.251 50 0 IGAAHN COCc1nn2c(c1-c1ccccc1)NC(=O)C2CC(=O)Nc1cc(OC)ccc1OC ZINC000072405376 556840693 /nfs/dbraw/zinc/84/06/93/556840693.db2.gz GVKILYHPAYZNAR-SFHVURJKSA-N 0 3 436.468 3.236 50 0 IGAAHN CSc1ccc(-c2ccc(=O)n(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000071281265 556880346 /nfs/dbraw/zinc/88/03/46/556880346.db2.gz NTMKYMDLAHSIKZ-UHFFFAOYSA-N 0 3 448.592 3.413 50 0 IGAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000072117855 556898453 /nfs/dbraw/zinc/89/84/53/556898453.db2.gz VGLCGSCPWYCXDU-UHFFFAOYSA-N 0 3 429.952 3.156 50 0 IGAAHN Cc1ccc(CN2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000020102895 556980826 /nfs/dbraw/zinc/98/08/26/556980826.db2.gz CAVYJRHTAWEVOM-UHFFFAOYSA-N 0 3 435.568 3.280 50 0 IGAAHN COc1ccccc1/C=C(\C(=O)N(CCN(C)C)Cc1ccccc1)n1ccccc1=O ZINC000023017929 557057736 /nfs/dbraw/zinc/05/77/36/557057736.db2.gz ZKMHBQVCFOBIPJ-FCDQGJHFSA-N 0 3 431.536 3.445 50 0 IGAAHN Cc1ccsc1CN1CCc2nnc([C@H](C)NC(=O)c3cc(F)ccc3F)n2CC1 ZINC000023129318 557066360 /nfs/dbraw/zinc/06/63/60/557066360.db2.gz AQTBCYOBSYJUNM-AWEZNQCLSA-N 0 3 431.512 3.476 50 0 IGAAHN CCc1ccc(CN2CCC([C@@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)o1 ZINC000014888643 557077467 /nfs/dbraw/zinc/07/74/67/557077467.db2.gz YDNYLXDSLQHEIH-XMMPIXPASA-N 0 3 425.529 3.226 50 0 IGAAHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCCN(Cc2ccccc2)CC1 ZINC000023257757 557079929 /nfs/dbraw/zinc/07/99/29/557079929.db2.gz CFKXIQMQPJNDHI-UHFFFAOYSA-N 0 3 445.611 3.372 50 0 IGAAHN CC1CCN([C@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)c2cccs2)CC1 ZINC000025382158 557206636 /nfs/dbraw/zinc/20/66/36/557206636.db2.gz QHDAPNCDPOSECJ-LJQANCHMSA-N 0 3 440.569 3.003 50 0 IGAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)ccc1O ZINC000101027625 557213947 /nfs/dbraw/zinc/21/39/47/557213947.db2.gz ZLIJLRZZUHFMRB-ZLNRFVROSA-N 0 3 446.459 3.461 50 0 IGAAHN O=C1C[C@@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000101076787 557282338 /nfs/dbraw/zinc/28/23/38/557282338.db2.gz LKWFPIJVILFXEG-HXUWFJFHSA-N 0 3 442.357 3.335 50 0 IGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@@H]1c1ccsc1 ZINC000102746781 557307036 /nfs/dbraw/zinc/30/70/36/557307036.db2.gz HPEVMWALQZBBRD-LJQANCHMSA-N 0 3 446.598 3.098 50 0 IGAAHN COCCN(C[C@@H]1CN(Cc2ccccc2F)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247857097 557363827 /nfs/dbraw/zinc/36/38/27/557363827.db2.gz UMKHRNCSXVCCLL-UNMCSNQZSA-N 0 3 432.511 3.302 50 0 IGAAHN Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(c4ccccn4)CC2)CCO3)c1 ZINC000575317398 557463071 /nfs/dbraw/zinc/46/30/71/557463071.db2.gz OAMIHEFYBHAYEB-HSZRJFAPSA-N 0 3 434.584 3.366 50 0 IGAAHN CCN1CCN(CCCNC(=O)[C@H]2CCCN(c3nc4c(cc(C)cc4C)s3)C2)CC1 ZINC000020383881 563024564 /nfs/dbraw/zinc/02/45/64/563024564.db2.gz ODZGGFVEAUYXIB-FQEVSTJZSA-N 0 3 443.661 3.273 50 0 IGAAHN Cc1cccc(Cn2nc(CNCCCSc3nnnn3C)c(-c3ccccc3)n2)c1 ZINC000261492436 568734876 /nfs/dbraw/zinc/73/48/76/568734876.db2.gz AQMHRKCZPKIYBU-UHFFFAOYSA-N 0 3 434.573 3.097 50 0 IGAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1cccc(-n2cccn2)c1 ZINC000299767770 568756423 /nfs/dbraw/zinc/75/64/23/568756423.db2.gz OCGWUHKRXXZOSY-HSZRJFAPSA-N 0 3 431.540 3.211 50 0 IGAAHN Cc1nn(C)cc1CN1CCC2(C[C@@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000299769305 568756668 /nfs/dbraw/zinc/75/66/68/568756668.db2.gz WMDQLFFWLLDOCL-UPXASZCJSA-N 0 3 447.627 3.188 50 0 IGAAHN COc1ccc(-c2cc3n(n2)[C@H](NC2CCN(Cc4ccccc4)CC2)CNC3=O)cc1 ZINC000263615797 568776131 /nfs/dbraw/zinc/77/61/31/568776131.db2.gz FGQRCEYGLNMCOX-DEOSSOPVSA-N 0 3 431.540 3.055 50 0 IGAAHN Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)NCCCN3CCc4ccccc4C3)c2n1 ZINC000015735914 568816906 /nfs/dbraw/zinc/81/69/06/568816906.db2.gz IAUPYCYRTAIXON-UHFFFAOYSA-N 0 3 442.567 3.403 50 0 IGAAHN O=C(NCCCN1CCc2ccccc2C1)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770249 568822341 /nfs/dbraw/zinc/82/23/41/568822341.db2.gz MZJYUMLQKNPHKY-UHFFFAOYSA-N 0 3 435.597 3.472 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C ZINC000575443968 568869763 /nfs/dbraw/zinc/86/97/63/568869763.db2.gz FEXUYIURTHKPTA-AZUAARDMSA-N 0 3 428.577 3.215 50 0 IGAAHN CN(C)CCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)n1 ZINC000036068594 568945360 /nfs/dbraw/zinc/94/53/60/568945360.db2.gz DNERYXVMJMHTJF-UHFFFAOYSA-N 0 3 428.483 3.447 50 0 IGAAHN CC[C@H](C(=O)N1CCN(C2CCCCC2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776097 568955112 /nfs/dbraw/zinc/95/51/12/568955112.db2.gz NZZBZKPPBQRKHP-OAQYLSRUSA-N 0 3 435.572 3.316 50 0 IGAAHN CCCCN(CC)C(=O)c1cc(NC(=O)c2ccc(OC)cc2)cnc1N1CCNCC1 ZINC000065025425 569090670 /nfs/dbraw/zinc/09/06/70/569090670.db2.gz NPTFLJLKGMMDPU-UHFFFAOYSA-N 0 3 439.560 3.014 50 0 IGAAHN CN1CCC(NC(=O)C2CCN(c3nc4ccc(-c5cccnc5)nc4s3)CC2)CC1 ZINC000065272155 569128981 /nfs/dbraw/zinc/12/89/81/569128981.db2.gz SVODIZZICGDJDM-UHFFFAOYSA-N 0 3 436.585 3.180 50 0 IGAAHN Cc1s/c(=N\C(=O)c2cccc(C)c2)n(Cc2ccc(C(=O)NCCN(C)C)o2)c1C ZINC000037436533 569196203 /nfs/dbraw/zinc/19/62/03/569196203.db2.gz DPDFPJXCHQILQQ-BZZOAKBMSA-N 0 3 440.569 3.149 50 0 IGAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)COc4ccc(F)cc4)CC3)C2)CC1 ZINC000581819776 569211621 /nfs/dbraw/zinc/21/16/21/569211621.db2.gz KHBCGOCZCKSBEH-JOCHJYFZSA-N 0 3 447.595 3.018 50 0 IGAAHN Cn1c(=O)cc(OCCCC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000020280414 569358630 /nfs/dbraw/zinc/35/86/30/569358630.db2.gz LSRYDMOWPHZKIP-UHFFFAOYSA-N 0 3 433.552 3.478 50 0 IGAAHN Cc1csc2ncc(C(=O)N(CCN(C)C)Cc3ccc(C(F)(F)F)cc3)c(=O)n12 ZINC000095463690 569370248 /nfs/dbraw/zinc/37/02/48/569370248.db2.gz BCKDWSCDRBUZTC-UHFFFAOYSA-N 0 3 438.475 3.287 50 0 IGAAHN COc1cc(OC)c(NC(=O)N2CCN(c3cnnc(N4CCCC4)c3)CC2)cc1Cl ZINC000096121060 569385060 /nfs/dbraw/zinc/38/50/60/569385060.db2.gz RZDVCHKRNQQCEE-UHFFFAOYSA-N 0 3 446.939 3.102 50 0 IGAAHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N(c1ccccc1)C1CCN(CC)CC1)C2=O ZINC000058008573 569444721 /nfs/dbraw/zinc/44/47/21/569444721.db2.gz JNBJIJSGZXDWIO-UHFFFAOYSA-N 0 3 440.588 3.395 50 0 IGAAHN COc1ccc([C@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)N2CCCC2)cc1 ZINC000008313979 569462638 /nfs/dbraw/zinc/46/26/38/569462638.db2.gz CGVKYHIQYLCILQ-PZJWPPBQSA-N 0 3 425.554 3.451 50 0 IGAAHN O=C(CNC(=O)c1cccc(Br)c1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000039976198 569482224 /nfs/dbraw/zinc/48/22/24/569482224.db2.gz LQDNFAKXHFSBKS-LJQANCHMSA-N 0 3 430.346 3.132 50 0 IGAAHN CCN(CC)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)c1ccsc1 ZINC000040121717 569489553 /nfs/dbraw/zinc/48/95/53/569489553.db2.gz PWDLXGGQDYFQGO-FQEVSTJZSA-N 0 3 430.574 3.425 50 0 IGAAHN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000040155916 569494032 /nfs/dbraw/zinc/49/40/32/569494032.db2.gz HKSGGLYCRJJWJX-JOCHJYFZSA-N 0 3 442.629 3.221 50 0 IGAAHN C[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1 ZINC000245328840 569504056 /nfs/dbraw/zinc/50/40/56/569504056.db2.gz QAZJRAZPCXOPMT-HRAATJIYSA-N 0 3 432.561 3.485 50 0 IGAAHN CC[C@H](C)N(CCCNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O)Cc1ccco1 ZINC000009211340 569511755 /nfs/dbraw/zinc/51/17/55/569511755.db2.gz SJHZLVJHVNYDMI-KRWDZBQOSA-N 0 3 435.528 3.278 50 0 IGAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)Nc2ccc(OC)cc2)c2c1CCCC2 ZINC000009746984 569565781 /nfs/dbraw/zinc/56/57/81/569565781.db2.gz CYBGQADHFCVTPE-UHFFFAOYSA-N 0 3 444.601 3.203 50 0 IGAAHN Cn1c(SCC(=O)NC2CCN(Cc3ccccc3)CC2)nnc1-c1ccccc1F ZINC000009812694 569569078 /nfs/dbraw/zinc/56/90/78/569569078.db2.gz QEMKOIZJGHCQTN-UHFFFAOYSA-N 0 3 439.560 3.494 50 0 IGAAHN CCN1CCN(c2ccc(-n3c(C)nc4c(cnn4-c4ccc(C)cc4)c3=O)cc2)CC1 ZINC000009680471 132325679 /nfs/dbraw/zinc/32/56/79/132325679.db2.gz QRMQMJIQQVOCHR-UHFFFAOYSA-N 0 3 428.540 3.330 50 0 IGAAHN Cc1nc(N2CCC(N3CCC[C@H](C(=O)c4nccn4C)C3)CC2)nc2ccc(F)cc12 ZINC000011782831 132339549 /nfs/dbraw/zinc/33/95/49/132339549.db2.gz KUOXDPGLMTYCEV-KRWDZBQOSA-N 0 3 436.535 3.375 50 0 IGAAHN CC(C)n1cc(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)cn1 ZINC000012303822 519947994 /nfs/dbraw/zinc/94/79/94/519947994.db2.gz MIEWHWDIUAOVMJ-UHFFFAOYSA-N 0 3 448.011 3.452 50 0 IGAAHN CCN(CC)[C@H](CNC(=O)CCn1cnc2sccc2c1=O)c1cccc(OC)c1 ZINC000012741598 520861204 /nfs/dbraw/zinc/86/12/04/520861204.db2.gz GIMYSGFZQDCDAF-LJQANCHMSA-N 0 3 428.558 3.056 50 0 IGAAHN CCS(=O)(=O)Oc1ccc(Cl)cc1CN(CCN(C)C)C(=O)c1cccc(F)c1 ZINC000035592085 521687019 /nfs/dbraw/zinc/68/70/19/521687019.db2.gz CZLGJFPWHMQGFI-UHFFFAOYSA-N 0 3 442.940 3.412 50 0 IGAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@@H]3CC34CCC4)CC2)c(Cl)c1 ZINC000012373711 521786695 /nfs/dbraw/zinc/78/66/95/521786695.db2.gz RTDAYNSCVLUNBT-SFHVURJKSA-N 0 3 433.980 3.191 50 0 IGAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCN1CCCO1 ZINC000012197317 522660284 /nfs/dbraw/zinc/66/02/84/522660284.db2.gz LQRKRDLCZAVCCC-UHFFFAOYSA-N 0 3 427.511 3.446 50 0 IGAAHN CN(C[C@H]1COCCO1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012596489 523147391 /nfs/dbraw/zinc/14/73/91/523147391.db2.gz ONDBJYUESYFSGA-VWLOTQADSA-N 0 3 438.568 3.260 50 0 IGAAHN COCCNC(=O)[C@@H]1C[C@@H](NCc2cc(F)ccc2F)CN1Cc1ccccc1Cl ZINC000020601565 523912944 /nfs/dbraw/zinc/91/29/44/523912944.db2.gz FGNQIPOBFFQOPK-NQIIRXRSSA-N 0 3 437.918 3.114 50 0 IGAAHN C[C@H]1Cc2cc(C(=O)NC[C@H](c3cccs3)N3CCCC3)ccc2N1S(C)(=O)=O ZINC000012779691 524980455 /nfs/dbraw/zinc/98/04/55/524980455.db2.gz BHJQPPOSZNLGRB-HNAYVOBHSA-N 0 3 433.599 3.026 50 0 IGAAHN C[C@@H](NCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1cccc2ccccc21 ZINC000012770185 525410732 /nfs/dbraw/zinc/41/07/32/525410732.db2.gz OQHPSRZVKNNESK-WXTAPIANSA-N 0 3 444.535 3.465 50 0 IGAAHN COc1ccc2cc(C(=O)N3CCC(CC(=O)NCCN4CCCC[C@H]4C)CC3)[nH]c2c1 ZINC000035454102 525621090 /nfs/dbraw/zinc/62/10/90/525621090.db2.gz JWQLKGSLVHOPBP-GOSISDBHSA-N 0 3 440.588 3.409 50 0 IGAAHN O=C(CC[C@@H]1CCCN(Cc2cccc3nccnc23)C1)N1CCN(c2ccccn2)CC1 ZINC000012387253 526554428 /nfs/dbraw/zinc/55/44/28/526554428.db2.gz TUWBFEHIEOXSRD-NRFANRHFSA-N 0 3 444.583 3.366 50 0 IGAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012846049 526746376 /nfs/dbraw/zinc/74/63/76/526746376.db2.gz HQKNRYCPOLMHPI-UHFFFAOYSA-N 0 3 441.597 3.387 50 0 IGAAHN O=C(COc1ccccc1)NCc1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2 ZINC000012194016 526985928 /nfs/dbraw/zinc/98/59/28/526985928.db2.gz GEMDHLHCAOSOPO-UHFFFAOYSA-N 0 3 441.535 3.185 50 0 IGAAHN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000012766409 527200190 /nfs/dbraw/zinc/20/01/90/527200190.db2.gz CVKVDZNZMLXKOI-UHFFFAOYSA-N 0 3 446.477 3.083 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnc2sc3c(n2c1=O)CCCCC3 ZINC000035430458 527531108 /nfs/dbraw/zinc/53/11/08/527531108.db2.gz LRWVSYQDTCKJTD-UHFFFAOYSA-N 0 3 436.581 3.419 50 0 IGAAHN Nc1nonc1C(=O)NCCNCc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040744453 527580139 /nfs/dbraw/zinc/58/01/39/527580139.db2.gz DWGJFNRBGFGAGC-UHFFFAOYSA-N 0 3 436.299 3.057 50 0 IGAAHN Nc1nonc1C(=O)NCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040744456 527580458 /nfs/dbraw/zinc/58/04/58/527580458.db2.gz XLQJCSAXTJPQNT-UHFFFAOYSA-N 0 3 436.299 3.057 50 0 IGAAHN COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)c2c1 ZINC000008770309 556213420 /nfs/dbraw/zinc/21/34/20/556213420.db2.gz UTGUYCBOLFTNOE-IBGZPJMESA-N 0 3 442.313 3.403 50 0 IGAAHN Cn1nnnc1SCCNCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010475044 556335775 /nfs/dbraw/zinc/33/57/75/556335775.db2.gz RNWGDKWGVQIXIQ-UHFFFAOYSA-N 0 3 434.363 3.434 50 0 IGAAHN CCN1CCC[C@H](CN(C)Cc2cnc(S(=O)(=O)CC)n2CCCc2ccccc2)C1 ZINC000011819096 556360982 /nfs/dbraw/zinc/36/09/82/556360982.db2.gz QKMAYWSENUDWRE-JOCHJYFZSA-N 0 3 446.661 3.473 50 0 IGAAHN O=C(CCC1CCN(C(=O)COc2ccccc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000011840862 556364965 /nfs/dbraw/zinc/36/49/65/556364965.db2.gz NERASBGDHYKBJC-XMMPIXPASA-N 0 3 449.595 3.475 50 0 IGAAHN CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2cn(C)c4ccccc24)CC3)CC1 ZINC000012024973 556387460 /nfs/dbraw/zinc/38/74/60/556387460.db2.gz NBKRDNFJSXFZRJ-OAQYLSRUSA-N 0 3 438.572 3.081 50 0 IGAAHN COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1Cl ZINC000032578260 556404818 /nfs/dbraw/zinc/40/48/18/556404818.db2.gz FKZKGULZLVWLLS-NQIIRXRSSA-N 0 3 437.918 3.114 50 0 IGAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2CCC(C)C ZINC000014746254 556441164 /nfs/dbraw/zinc/44/11/64/556441164.db2.gz ZHUOHOHWVYIXTO-FQEVSTJZSA-N 0 3 430.593 3.194 50 0 IGAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccc(OC)cc1 ZINC000014750912 556443242 /nfs/dbraw/zinc/44/32/42/556443242.db2.gz OPYQXJXIRJUICO-LJQANCHMSA-N 0 3 431.577 3.027 50 0 IGAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccc(OC)cc1 ZINC000014750914 556443368 /nfs/dbraw/zinc/44/33/68/556443368.db2.gz OPYQXJXIRJUICO-IBGZPJMESA-N 0 3 431.577 3.027 50 0 IGAAHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC000072272941 556445763 /nfs/dbraw/zinc/44/57/63/556445763.db2.gz ISFVIRXBOPZVPM-TZIWHRDSSA-N 0 3 436.556 3.099 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl ZINC000013068518 556452626 /nfs/dbraw/zinc/45/26/26/556452626.db2.gz GVZKNGQRKLESST-KRWDZBQOSA-N 0 3 435.977 3.379 50 0 IGAAHN CCOC(=O)C1CCN(CCC(=O)Nc2c3cc(Cl)ccc3[nH]c2C(=O)OC)CC1 ZINC000013647183 556544251 /nfs/dbraw/zinc/54/42/51/556544251.db2.gz JBGPCDMRCVQUON-UHFFFAOYSA-N 0 3 435.908 3.212 50 0 IGAAHN COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCCC3)nc(C)n2)CC1 ZINC000033326771 556561741 /nfs/dbraw/zinc/56/17/41/556561741.db2.gz JHUMHNAWEUDUNG-UHFFFAOYSA-N 0 3 430.940 3.401 50 0 IGAAHN COc1ccc(CNCc2ccc(OC[C@H](O)c3ccc4c(c3)n(C)c(=O)n4C)cc2)cc1 ZINC000016363935 556603432 /nfs/dbraw/zinc/60/34/32/556603432.db2.gz UPMUMFDETWEILU-VWLOTQADSA-N 0 3 447.535 3.288 50 0 IGAAHN Nc1nonc1C(=O)NCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000016399611 556605256 /nfs/dbraw/zinc/60/52/56/556605256.db2.gz KBJCTHCCZPMOHS-UHFFFAOYSA-N 0 3 436.299 3.057 50 0 IGAAHN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCCN2CCCCCC2)s1 ZINC000032987333 556607399 /nfs/dbraw/zinc/60/73/99/556607399.db2.gz RCRUCFVISZZTFR-UHFFFAOYSA-N 0 3 447.630 3.324 50 0 IGAAHN O=C(COC(=O)C1CCN(c2ccccc2Br)C1=O)NC1CCCCCC1 ZINC000097922801 556611698 /nfs/dbraw/zinc/61/16/98/556611698.db2.gz DMVNWKUKWSYLSG-OAHLLOKOSA-N 0 3 437.334 3.184 50 0 IGAAHN Cc1nn(CC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)c(=O)c2ccccc12 ZINC000060168104 556651252 /nfs/dbraw/zinc/65/12/52/556651252.db2.gz APIBLNRBQKDFEA-UHFFFAOYSA-N 0 3 446.473 3.314 50 0 IGAAHN Cc1cccc(CN2CCC(NC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)c1 ZINC000032936024 556678559 /nfs/dbraw/zinc/67/85/59/556678559.db2.gz ZURKLIWVEOVJQW-SFHVURJKSA-N 0 3 441.597 3.100 50 0 IGAAHN CCN1CC[C@@H](CN(C)Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)C1 ZINC000019301043 556735358 /nfs/dbraw/zinc/73/53/58/556735358.db2.gz YDIKQEIDVUYZPY-NRFANRHFSA-N 0 3 432.634 3.082 50 0 IGAAHN Cc1ccccc1CN1CCCN(C(=O)NCCC(=O)N2CCc3sccc3C2)CC1 ZINC000058434602 556788218 /nfs/dbraw/zinc/78/82/18/556788218.db2.gz LOYCHGYVHHMXLZ-UHFFFAOYSA-N 0 3 440.613 3.249 50 0 IGAAHN Cc1cccn2c(CNC[C@@H]3CCCN(c4ncccn4)C3)c(C(=O)N3CCCCC3)nc12 ZINC000019594855 556830335 /nfs/dbraw/zinc/83/03/35/556830335.db2.gz HXOMVYQILSIEEA-FQEVSTJZSA-N 0 3 447.587 3.065 50 0 IGAAHN CCN1CCN(CCNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc32)CC1 ZINC000033106316 556858878 /nfs/dbraw/zinc/85/88/78/556858878.db2.gz DACQCDWCLXTGMZ-UHFFFAOYSA-N 0 3 445.567 3.228 50 0 IGAAHN CC(C)NC(=O)CCN1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072128945 556898811 /nfs/dbraw/zinc/89/88/11/556898811.db2.gz RDPJDHXGVVVUJJ-FQEVSTJZSA-N 0 3 426.527 3.207 50 0 IGAAHN CCn1c2ccccc2nc(SCC(=O)NCCCN2CCc3ccccc3C2)c1=O ZINC000033259833 556898962 /nfs/dbraw/zinc/89/89/62/556898962.db2.gz AXYSKHHFAOCFPD-UHFFFAOYSA-N 0 3 436.581 3.073 50 0 IGAAHN CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CNCCN1CCCCC1 ZINC000019800095 556917533 /nfs/dbraw/zinc/91/75/33/556917533.db2.gz JDGAUWPRIUDXDP-UHFFFAOYSA-N 0 3 425.602 3.286 50 0 IGAAHN COc1cc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc(OC)c1OC ZINC000019831630 556926824 /nfs/dbraw/zinc/92/68/24/556926824.db2.gz UNQMKMNCFILAKS-UHFFFAOYSA-N 0 3 439.600 3.495 50 0 IGAAHN CCOC(=O)c1ccc(NC(=O)CC2C(=O)Nc3c(-c4ccccc4)c(COC)nn32)cc1 ZINC000072405365 556972075 /nfs/dbraw/zinc/97/20/75/556972075.db2.gz MDLLNGMPAARRLB-IBGZPJMESA-N 0 3 448.479 3.395 50 0 IGAAHN CSc1cccc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)c1 ZINC000049400797 557096260 /nfs/dbraw/zinc/09/62/60/557096260.db2.gz VSLCUSNKYGAQPY-UHFFFAOYSA-N 0 3 434.565 3.471 50 0 IGAAHN CC1CCN([C@@H](CNC(=O)NCc2ccc(N3CCOCC3)nc2)c2cccs2)CC1 ZINC000027334782 557260592 /nfs/dbraw/zinc/26/05/92/557260592.db2.gz RTAZJUHGAIMEDQ-FQEVSTJZSA-N 0 3 443.617 3.252 50 0 IGAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@H]1c1ccsc1 ZINC000102746779 557307048 /nfs/dbraw/zinc/30/70/48/557307048.db2.gz HPEVMWALQZBBRD-IBGZPJMESA-N 0 3 446.598 3.098 50 0 IGAAHN Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCCN3CCCCCC3)C2)s1 ZINC000033315263 557332918 /nfs/dbraw/zinc/33/29/18/557332918.db2.gz HDPWMJZWSFFTFM-LJQANCHMSA-N 0 3 430.622 3.154 50 0 IGAAHN Cc1cc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)ccc1S(C)(=O)=O ZINC000685939938 557838841 /nfs/dbraw/zinc/83/88/41/557838841.db2.gz RPIHIUBUEMRAJU-VQTJNVASSA-N 0 3 427.570 3.384 50 0 IGAAHN CN(C)CCNC(=O)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O ZINC000003134469 562932505 /nfs/dbraw/zinc/93/25/05/562932505.db2.gz QWPKOFHFHLFOCF-UHFFFAOYSA-N 0 3 435.368 3.226 50 0 IGAAHN Cc1ccc2oc(=O)c3cnn(CC(=O)NC4CCN(Cc5ccccc5)CC4)c3c2c1 ZINC000020321886 563024515 /nfs/dbraw/zinc/02/45/15/563024515.db2.gz GKMXWTJHUDLKQM-UHFFFAOYSA-N 0 3 430.508 3.232 50 0 IGAAHN Cc1c(C(=O)N(CCN(C)C)Cc2ccco2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000015675272 568803733 /nfs/dbraw/zinc/80/37/33/568803733.db2.gz NGFGNRISESTHFQ-UHFFFAOYSA-N 0 3 428.558 3.290 50 0 IGAAHN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCCCN(C)Cc3ccccc3)ccc2S1 ZINC000015730568 568814077 /nfs/dbraw/zinc/81/40/77/568814077.db2.gz IJVYGEYRSXDPFV-INIZCTEOSA-N 0 3 433.599 3.310 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccn1-c1nnc(N2CCCC2)s1 ZINC000015731307 568814922 /nfs/dbraw/zinc/81/49/22/568814922.db2.gz KXJJNMDNCFWAJN-UHFFFAOYSA-N 0 3 436.585 3.323 50 0 IGAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc1=O)CCC2 ZINC000015823740 568840153 /nfs/dbraw/zinc/84/01/53/568840153.db2.gz ZNIREVIFDAUUEI-UHFFFAOYSA-N 0 3 441.384 3.331 50 0 IGAAHN O=C(CN1CC=C(c2cnn(-c3ccccc3Cl)c2)CC1)NCCN1CCCCC1 ZINC000064889428 568980049 /nfs/dbraw/zinc/98/00/49/568980049.db2.gz VZAFOSDPAWXQKO-UHFFFAOYSA-N 0 3 427.980 3.217 50 0 IGAAHN Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1-n1nnc2cccnc21 ZINC000064925650 568986558 /nfs/dbraw/zinc/98/65/58/568986558.db2.gz LMVDFDVUDWCOGR-UHFFFAOYSA-N 0 3 426.524 3.302 50 0 IGAAHN CC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccccc1F)CN(Cc1ccccc1)CC2 ZINC000065153624 569112020 /nfs/dbraw/zinc/11/20/20/569112020.db2.gz AEDYPKOTEBZSCJ-UHFFFAOYSA-N 0 3 448.542 3.381 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000065226976 569117966 /nfs/dbraw/zinc/11/79/66/569117966.db2.gz IXIJIGMVKSJNNR-FQEVSTJZSA-N 0 3 430.556 3.022 50 0 IGAAHN COc1ccc(CNC(=O)c2cccnc2N2CCN[C@@H](c3ccccc3)C2)cc1OC ZINC000065255787 569123006 /nfs/dbraw/zinc/12/30/06/569123006.db2.gz HJECWEZVYIHRSJ-OAQYLSRUSA-N 0 3 432.524 3.180 50 0 IGAAHN Cc1nn(C)c(C)c1CCCN(C)C(=O)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256344 569123325 /nfs/dbraw/zinc/12/33/25/569123325.db2.gz IMDLJUJVTXGFDU-XMMPIXPASA-N 0 3 446.599 3.288 50 0 IGAAHN CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@@H](CC)CN1CC(C)(C)O ZINC000170606122 569143884 /nfs/dbraw/zinc/14/38/84/569143884.db2.gz XJLVBEJGGDSBOL-FCEUIQTBSA-N 0 3 447.595 3.150 50 0 IGAAHN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000078680211 569317609 /nfs/dbraw/zinc/31/76/09/569317609.db2.gz AYUOEIRTMIBWEN-NRFANRHFSA-N 0 3 435.524 3.257 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)CCc2nc3cc(Br)cnc3[nH]2)N(C)C)cc1 ZINC000079495709 569331538 /nfs/dbraw/zinc/33/15/38/569331538.db2.gz MBSGNCXEMCXITN-QGZVFWFLSA-N 0 3 446.349 3.081 50 0 IGAAHN O=C(c1nc(C2CC2)n2ccccc12)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000095459460 569369533 /nfs/dbraw/zinc/36/95/33/569369533.db2.gz WUBJVUAAJKUNFV-HXUWFJFHSA-N 0 3 444.583 3.281 50 0 IGAAHN Cc1[nH]c(C(=O)Nc2cccc(CN3CCCC3)c2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000096355840 569397402 /nfs/dbraw/zinc/39/74/02/569397402.db2.gz DNHBJMOZYIMJDI-UHFFFAOYSA-N 0 3 430.574 3.264 50 0 IGAAHN CS(=O)(=O)c1ccc(CCC(=O)N2CCC(N3CCc4sccc4C3)CC2)cc1 ZINC000225689110 569407237 /nfs/dbraw/zinc/40/72/37/569407237.db2.gz RRLGYZLNZCIMHD-UHFFFAOYSA-N 0 3 432.611 3.134 50 0 IGAAHN COc1ccccc1[C@@H]1NC(=O)N[C@](O)(c2ccc(Cl)cc2)C1C(=O)C(F)(F)F ZINC000028224792 569409160 /nfs/dbraw/zinc/40/91/60/569409160.db2.gz YXIJBKFKZFMZEW-MPGHIAIKSA-N 0 3 428.794 3.295 50 0 IGAAHN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(CN(C)C)cc2)c1 ZINC000039981940 569482284 /nfs/dbraw/zinc/48/22/84/569482284.db2.gz RBIHPTXWGQNURV-UHFFFAOYSA-N 0 3 437.993 3.361 50 0 IGAAHN CC(C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000040106129 569488365 /nfs/dbraw/zinc/48/83/65/569488365.db2.gz KLEWIAORGQQMCJ-RBSFLKMASA-N 0 3 429.966 3.309 50 0 IGAAHN CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000040155915 569494006 /nfs/dbraw/zinc/49/40/06/569494006.db2.gz HKSGGLYCRJJWJX-QFIPXVFZSA-N 0 3 442.629 3.221 50 0 IGAAHN Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)NCCN2CCCC2)c2ccccc2n1C ZINC000009096582 569501471 /nfs/dbraw/zinc/50/14/71/569501471.db2.gz VBUCKBCVJHIMGL-VWLOTQADSA-N 0 3 430.552 3.244 50 0 IGAAHN C[C@@H]1CN(C(=O)C2CCN(CCOc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000069373768 569503266 /nfs/dbraw/zinc/50/32/66/569503266.db2.gz NUQZXAOKJPEVCN-IYBDPMFKSA-N 0 3 425.367 3.176 50 0 IGAAHN COc1ccc(Cc2nnc(C(=O)NC3CCN(Cc4ccccc4)CC3)o2)cc1OC ZINC000009405611 569529970 /nfs/dbraw/zinc/52/99/70/569529970.db2.gz DPXNQZWKMJNSGL-UHFFFAOYSA-N 0 3 436.512 3.072 50 0 IGAAHN CC1CCN([C@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2cccs2)CC1 ZINC000009468242 569538617 /nfs/dbraw/zinc/53/86/17/569538617.db2.gz RFMNFSSVSDLATM-LJQANCHMSA-N 0 3 435.615 3.201 50 0 IGAAHN Cc1ccc(S(=O)(=O)N2CC(CO)(CNC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000070697747 569552664 /nfs/dbraw/zinc/55/26/64/569552664.db2.gz RVZPRCNJCPJISR-UHFFFAOYSA-N 0 3 436.577 3.357 50 0 IGAAHN COc1ccc(OC)c(CN2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 ZINC000004547577 132272187 /nfs/dbraw/zinc/27/21/87/132272187.db2.gz WYNDWJVTCWHMGI-UHFFFAOYSA-N 0 3 425.573 3.499 50 0 IGAAHN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000012948333 132340948 /nfs/dbraw/zinc/34/09/48/132340948.db2.gz DHCXRPWSLUJFSW-UHFFFAOYSA-N 0 3 425.492 3.052 50 0 IGAAHN CCN(CC)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021811075 520662384 /nfs/dbraw/zinc/66/23/84/520662384.db2.gz QXIAAOSRJHJEQB-YOHDVBOVSA-N 0 3 428.577 3.486 50 0 IGAAHN CCOC(=O)c1c(NC(=O)CNCCN2CCOCC2)sc(C)c1-c1ccc(C)cc1 ZINC000022809205 521409082 /nfs/dbraw/zinc/40/90/82/521409082.db2.gz UKVMWBHSJIPONP-UHFFFAOYSA-N 0 3 445.585 3.069 50 0 IGAAHN CCN1CCN(CCCNC(=O)CSc2ncnc3c2sc2cccc(F)c23)CC1 ZINC000021153440 521679518 /nfs/dbraw/zinc/67/95/18/521679518.db2.gz CPKILJMLYWPISV-UHFFFAOYSA-N 0 3 447.605 3.220 50 0 IGAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1 ZINC000022276557 521935109 /nfs/dbraw/zinc/93/51/09/521935109.db2.gz JMHJECBGQLGDQO-UHFFFAOYSA-N 0 3 437.569 3.143 50 0 IGAAHN COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CCN(C[C@@H]1CC=CCC1)CC2 ZINC000012099374 522016457 /nfs/dbraw/zinc/01/64/57/522016457.db2.gz IFIJDAUNYOLVQH-HXUWFJFHSA-N 0 3 447.579 3.270 50 0 IGAAHN CCc1nccn1CCC(=O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000012306913 522582726 /nfs/dbraw/zinc/58/27/26/522582726.db2.gz GVSQXPKLERFVKG-OAQYLSRUSA-N 0 3 429.996 3.302 50 0 IGAAHN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCN3CCCC3)CC2)c2cc(C)ccc2O1 ZINC000020902435 523229423 /nfs/dbraw/zinc/22/94/23/523229423.db2.gz GDFVMKIHKXCIGH-FQEVSTJZSA-N 0 3 428.577 3.016 50 0 IGAAHN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2F)cnc1N1CCNCC1 ZINC000035514095 523337591 /nfs/dbraw/zinc/33/75/91/523337591.db2.gz GYZPILSGBBGYKF-UHFFFAOYSA-N 0 3 447.514 3.155 50 0 IGAAHN COc1ccc([C@H](CNC(=O)c2ccc(CN3CCCCC3)cc2)N2CCOCC2)cc1 ZINC000022686689 525358486 /nfs/dbraw/zinc/35/84/86/525358486.db2.gz IWXQIJIUTXVIJO-VWLOTQADSA-N 0 3 437.584 3.484 50 0 IGAAHN O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000012816829 527001138 /nfs/dbraw/zinc/00/11/38/527001138.db2.gz YXALRGVIQSMXTB-JWQCQUIFSA-N 0 3 427.548 3.418 50 0 IGAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 ZINC000020930292 527168585 /nfs/dbraw/zinc/16/85/85/527168585.db2.gz OWIFVLPDQWQWBQ-UHFFFAOYSA-N 0 3 430.574 3.428 50 0 IGAAHN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000012745419 527199897 /nfs/dbraw/zinc/19/98/97/527199897.db2.gz NMGKDRSRCKJTAP-QGZVFWFLSA-N 0 3 434.466 3.112 50 0 IGAAHN CCCCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000004190371 555974786 /nfs/dbraw/zinc/97/47/86/555974786.db2.gz XBTVXENGPKBWCQ-HXUWFJFHSA-N 0 3 426.513 3.347 50 0 IGAAHN COc1cc(OC)cc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(Cl)cc34)C2=O)c1 ZINC000008770425 556213388 /nfs/dbraw/zinc/21/33/88/556213388.db2.gz XNFGJXILMQFTLG-HXUWFJFHSA-N 0 3 427.888 3.303 50 0 IGAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@@H]1CC(C(C)C)=NO1 ZINC000011844254 556367061 /nfs/dbraw/zinc/36/70/61/556367061.db2.gz WZOAJJMQJRZVJP-QHCPKHFHSA-N 0 3 431.577 3.183 50 0 IGAAHN COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2F)CN1Cc1ccc(Cl)cc1 ZINC000032578196 556404738 /nfs/dbraw/zinc/40/47/38/556404738.db2.gz VETUAKACEQTRHX-FPOVZHCZSA-N 0 3 437.918 3.114 50 0 IGAAHN O=C(CSc1ncnc2[n-]cnc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014409003 556415670 /nfs/dbraw/zinc/41/56/70/556415670.db2.gz JBPFJPQYMXAAEF-UHFFFAOYSA-N 0 3 444.564 3.379 50 0 IGAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@@H](C)Cc1cccnc1)CC2 ZINC000014539521 556424966 /nfs/dbraw/zinc/42/49/66/556424966.db2.gz QAZJODZLPBOBBH-IBGZPJMESA-N 0 3 436.556 3.340 50 0 IGAAHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2)cc1C ZINC000013072475 556454079 /nfs/dbraw/zinc/45/40/79/556454079.db2.gz JBAPMFHIHJNBRD-QHCPKHFHSA-N 0 3 443.613 3.123 50 0 IGAAHN Cc1cccnc1CCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21 ZINC000015061502 556490196 /nfs/dbraw/zinc/49/01/96/556490196.db2.gz RZEMOHIFFBWVMI-CALCHBBNSA-N 0 3 441.963 3.273 50 0 IGAAHN Cc1c(C(=O)N2CC[C@@H](N(C)C)C2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000015072916 556497431 /nfs/dbraw/zinc/49/74/31/556497431.db2.gz GEDSETPNVXUJFE-OAHLLOKOSA-N 0 3 439.541 3.117 50 0 IGAAHN CCOC(=O)c1nc2ccccc2c(NCCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000022937898 556504523 /nfs/dbraw/zinc/50/45/23/556504523.db2.gz IETGNODENBTPKQ-UHFFFAOYSA-N 0 3 433.556 3.426 50 0 IGAAHN COc1ccc(OC)c(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000015856070 556557655 /nfs/dbraw/zinc/55/76/55/556557655.db2.gz RHBYCGZBQXWINM-UHFFFAOYSA-N 0 3 437.584 3.260 50 0 IGAAHN CCOc1cc(CNC(C)(C)CO)c(Cl)cc1OCC(=O)NCCc1ccccc1 ZINC000016688169 556626009 /nfs/dbraw/zinc/62/60/09/556626009.db2.gz IXXUMMRKXKBSDC-UHFFFAOYSA-N 0 3 434.964 3.337 50 0 IGAAHN COc1cccc(CNCCCN2CCCC2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734765 556650379 /nfs/dbraw/zinc/65/03/79/556650379.db2.gz XWGBVVLJORNIFC-UHFFFAOYSA-N 0 3 425.529 3.123 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)c(C)c2)CC1 ZINC000058156170 556762488 /nfs/dbraw/zinc/76/24/88/556762488.db2.gz SIPZYXHAFYXCOE-IBGZPJMESA-N 0 3 436.556 3.137 50 0 IGAAHN COc1ccc(CCNC(=O)[C@@H](C)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 ZINC000060036552 556806042 /nfs/dbraw/zinc/80/60/42/556806042.db2.gz HVDSWFPCTHODPI-HXUWFJFHSA-N 0 3 436.600 3.387 50 0 IGAAHN Cc1c(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cccc1N(C)S(C)(=O)=O ZINC000065362063 556834080 /nfs/dbraw/zinc/83/40/80/556834080.db2.gz MJJBCPUBZQGRFR-UHFFFAOYSA-N 0 3 431.558 3.116 50 0 IGAAHN O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCN1CCCCCC1 ZINC000033254686 556891101 /nfs/dbraw/zinc/89/11/01/556891101.db2.gz VRGGDSIIJSTFPI-UHFFFAOYSA-N 0 3 442.025 3.123 50 0 IGAAHN COc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c(OC)c1OC ZINC000019789390 556914620 /nfs/dbraw/zinc/91/46/20/556914620.db2.gz ONIGSJFBMMCFCS-UHFFFAOYSA-N 0 3 439.600 3.495 50 0 IGAAHN COc1cc(OC)c(OC)cc1CN1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000019831934 556927038 /nfs/dbraw/zinc/92/70/38/556927038.db2.gz WOULJCSHTVRAEL-UHFFFAOYSA-N 0 3 439.600 3.495 50 0 IGAAHN CCNc1cc(N2CCN(C(=O)c3ccc(Oc4ccc(C)nn4)cc3)CC2)nc(C)n1 ZINC000072437064 556972767 /nfs/dbraw/zinc/97/27/67/556972767.db2.gz UYSZVKZXNMLTIL-UHFFFAOYSA-N 0 3 433.516 3.070 50 0 IGAAHN O=C(c1cc(-c2cccs2)[nH]n1)N1CCCN([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097139507 556992013 /nfs/dbraw/zinc/99/20/13/556992013.db2.gz IENRUAOIHULQMP-OAQYLSRUSA-N 0 3 449.580 3.087 50 0 IGAAHN C[C@@H](C(=O)NCCN(C)Cc1ccccc1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944850 557027795 /nfs/dbraw/zinc/02/77/95/557027795.db2.gz CEKJLOUPJABVCR-HNNXBMFYSA-N 0 3 432.446 3.225 50 0 IGAAHN CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)c1 ZINC000024838056 557172696 /nfs/dbraw/zinc/17/26/96/557172696.db2.gz UMNDOQDSKOUASL-QFIPXVFZSA-N 0 3 447.601 3.115 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000069930205 557189954 /nfs/dbraw/zinc/18/99/54/557189954.db2.gz AQKQYPQAWPZKEQ-QHCPKHFHSA-N 0 3 448.592 3.464 50 0 IGAAHN CNC(=O)[C@@H]1C[C@@H](NCc2ccc(OC)c(C)c2OC)CN1Cc1cccc(Cl)c1 ZINC000023339665 557350230 /nfs/dbraw/zinc/35/02/30/557350230.db2.gz XIDIRVOGBPCQTA-UXHICEINSA-N 0 3 431.964 3.144 50 0 IGAAHN Cc1ccc(CN2CCC(CNC(=O)CCn3c4ccccc4nc(C)c3=O)CC2)cc1 ZINC000045967480 557557235 /nfs/dbraw/zinc/55/72/35/557557235.db2.gz NFEKIWZJBIPWMQ-UHFFFAOYSA-N 0 3 432.568 3.432 50 0 IGAAHN COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccccc2Cl)N2CCCC2)cc1 ZINC000009583794 562973554 /nfs/dbraw/zinc/97/35/54/562973554.db2.gz RCJCTDFJMKIKQX-NRFANRHFSA-N 0 3 429.948 3.422 50 0 IGAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3c[nH]nc3-c3cc(C)ccc3C)C2)CC1 ZINC000023374997 568614045 /nfs/dbraw/zinc/61/40/45/568614045.db2.gz RXEVPPXMXYWWJH-OAQYLSRUSA-N 0 3 425.577 3.432 50 0 IGAAHN C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H](CN(C)C)[C@H](O)c2ccccc2)C[C@@H](C)O1 ZINC000106103893 568624775 /nfs/dbraw/zinc/62/47/75/568624775.db2.gz NMXWROZLTYVJFJ-ISQLDUATSA-N 0 3 440.588 3.333 50 0 IGAAHN COc1ccc(CN(C)Cc2nc(C)c[nH]2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000015065534 568635223 /nfs/dbraw/zinc/63/52/23/568635223.db2.gz VGFFYYQKWWLJAM-JOCHJYFZSA-N 0 3 438.572 3.230 50 0 IGAAHN Cn1c2ccccc2c2cc(C(=O)N3CCC(=O)N(CCN4CCCCC4)CC3)ccc21 ZINC000299785472 568757539 /nfs/dbraw/zinc/75/75/39/568757539.db2.gz RRFKDYWHLNYXNG-UHFFFAOYSA-N 0 3 432.568 3.492 50 0 IGAAHN CCc1c(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000299790598 568757646 /nfs/dbraw/zinc/75/76/46/568757646.db2.gz BMCPPIBNMBIUAW-UHFFFAOYSA-N 0 3 441.572 3.152 50 0 IGAAHN Cc1c(C(=O)N(C)C[C@@H]2CCCN(C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000299796706 568757944 /nfs/dbraw/zinc/75/79/44/568757944.db2.gz NOCUFQFQQJBIPQ-GOSISDBHSA-N 0 3 430.556 3.150 50 0 IGAAHN COc1ccc(-c2cc3n(n2)[C@@H](NC2CCN(Cc4ccccc4)CC2)CNC3=O)cc1 ZINC000263615798 568776195 /nfs/dbraw/zinc/77/61/95/568776195.db2.gz FGQRCEYGLNMCOX-XMMPIXPASA-N 0 3 431.540 3.055 50 0 IGAAHN CN1CCCN(c2ccc(NC(=O)N(C[C@H]3CCCO3)C[C@@H]3CCCO3)cc2F)CC1 ZINC000240555846 568911869 /nfs/dbraw/zinc/91/18/69/568911869.db2.gz GXTUSCPNXXYETN-BGYRXZFFSA-N 0 3 434.556 3.160 50 0 IGAAHN CCN1CCN(CCCNC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)CC1 ZINC000064567902 568933688 /nfs/dbraw/zinc/93/36/88/568933688.db2.gz NQOPMQHJQIZLEQ-UHFFFAOYSA-N 0 3 429.565 3.292 50 0 IGAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2 ZINC000064611304 568940030 /nfs/dbraw/zinc/94/00/30/568940030.db2.gz JWDSMTWVEXFHGQ-GOSISDBHSA-N 0 3 427.570 3.042 50 0 IGAAHN C[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1 ZINC000036309656 568996364 /nfs/dbraw/zinc/99/63/64/568996364.db2.gz QAZJRAZPCXOPMT-KKSFZXQISA-N 0 3 432.561 3.485 50 0 IGAAHN O=C(NCCN1CCCCCC1)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000065023266 569089209 /nfs/dbraw/zinc/08/92/09/569089209.db2.gz DFXHDRGNKOYGHH-FQEVSTJZSA-N 0 3 425.552 3.491 50 0 IGAAHN CC(C)CN(CC(C)C)C(=O)c1cc(NC(=O)c2ccccc2)cnc1N1CCNCC1 ZINC000065025410 569090595 /nfs/dbraw/zinc/09/05/95/569090595.db2.gz CVPOGSINODMRPT-UHFFFAOYSA-N 0 3 437.588 3.498 50 0 IGAAHN O=C(c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065255988 569123026 /nfs/dbraw/zinc/12/30/26/569123026.db2.gz QCUYSZMBVJKPAG-XMMPIXPASA-N 0 3 445.542 3.334 50 0 IGAAHN O=C(c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1)N1CCN(c2ccccc2)CC1 ZINC000065256149 569123165 /nfs/dbraw/zinc/12/31/65/569123165.db2.gz VPPXPGWPOVKLGO-XMMPIXPASA-N 0 3 427.552 3.195 50 0 IGAAHN COCCN(C[C@H]1CN(Cc2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1)C(C)=O ZINC000037276319 569145291 /nfs/dbraw/zinc/14/52/91/569145291.db2.gz UUXWJLWDEHYVND-RCZVLFRGSA-N 0 3 426.557 3.414 50 0 IGAAHN Cc1s/c(=N\C(=O)c2ccc(C)cc2)n(Cc2ccc(C(=O)NCCN(C)C)o2)c1C ZINC000037428256 569196026 /nfs/dbraw/zinc/19/60/26/569196026.db2.gz GWVIRAKMQPMMMK-BZZOAKBMSA-N 0 3 440.569 3.149 50 0 IGAAHN O=C(CCc1ccccc1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581820130 569211707 /nfs/dbraw/zinc/21/17/07/569211707.db2.gz TZNNQRDWMIFPET-XMMPIXPASA-N 0 3 448.611 3.377 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000253394046 569264425 /nfs/dbraw/zinc/26/44/25/569264425.db2.gz XRIBIFLLYHAMCH-ZHALLVOQSA-N 0 3 442.025 3.025 50 0 IGAAHN COc1cc(CN2CCC(c3nc(C)ccc3C(=O)NC[C@@H]3CCCO3)CC2)ccc1O ZINC000096281659 569390038 /nfs/dbraw/zinc/39/00/38/569390038.db2.gz JOOGEVFJGAWRRG-FQEVSTJZSA-N 0 3 439.556 3.393 50 0 IGAAHN COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)N3CCN4CCC[C@@H]4C3)c2n1 ZINC000002792084 569421976 /nfs/dbraw/zinc/42/19/76/569421976.db2.gz SITOLYYNTFRUSS-CQSZACIVSA-N 0 3 427.455 3.263 50 0 IGAAHN CCOC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000067286720 569467008 /nfs/dbraw/zinc/46/70/08/569467008.db2.gz RGZSLKLTIPXAKY-OAQYLSRUSA-N 0 3 431.533 3.141 50 0 IGAAHN O=C(CNC(=O)c1cccc(Br)c1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000039976199 569482208 /nfs/dbraw/zinc/48/22/08/569482208.db2.gz LQDNFAKXHFSBKS-IBGZPJMESA-N 0 3 430.346 3.132 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)CCCn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965357 569491449 /nfs/dbraw/zinc/49/14/49/569491449.db2.gz BDEPHDSYFLRRLD-OAQYLSRUSA-N 0 3 435.572 3.185 50 0 IGAAHN CN(C)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccncc1 ZINC000009216095 569512076 /nfs/dbraw/zinc/51/20/76/569512076.db2.gz JOFLJCZVMCCRSA-GOSISDBHSA-N 0 3 442.313 3.447 50 0 IGAAHN O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCC1CCN(Cc2cccc(F)c2)CC1 ZINC000009688602 569560854 /nfs/dbraw/zinc/56/08/54/569560854.db2.gz QCKXGSUKQNCMFW-UHFFFAOYSA-N 0 3 431.895 3.415 50 0 IGAAHN O=C1[C@H]2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(Br)c2)CC1 ZINC000002183611 132248470 /nfs/dbraw/zinc/24/84/70/132248470.db2.gz YZZSRVHNVXGPPW-LJQANCHMSA-N 0 3 449.393 3.168 50 0 IGAAHN CCN(CC)[C@@H]1CCN(C(=O)c2cn(CC3CCCCC3)cc(C(=O)NC(C)C)c2=O)C1 ZINC000012149224 520844221 /nfs/dbraw/zinc/84/42/21/520844221.db2.gz GEXOSBIBNYHKHM-HXUWFJFHSA-N 0 3 444.620 3.123 50 0 IGAAHN CCCn1c2ccccc2c2cnn(CC(=O)N3CCN(C4CCCCC4)CC3)c(=O)c21 ZINC000020557138 521637846 /nfs/dbraw/zinc/63/78/46/521637846.db2.gz LMFMJMOUKFIFLS-UHFFFAOYSA-N 0 3 435.572 3.238 50 0 IGAAHN COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2)C(C)C ZINC000012202276 522771146 /nfs/dbraw/zinc/77/11/46/522771146.db2.gz KNAQVVTZRTZOGK-RUZDIDTESA-N 0 3 447.583 3.463 50 0 IGAAHN CN(C[C@@H]1COCCO1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012596484 523081454 /nfs/dbraw/zinc/08/14/54/523081454.db2.gz ONDBJYUESYFSGA-RUZDIDTESA-N 0 3 438.568 3.260 50 0 IGAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)cc1 ZINC000012282905 523703056 /nfs/dbraw/zinc/70/30/56/523703056.db2.gz UYUBASWUBAPJQD-UNMCSNQZSA-N 0 3 449.599 3.110 50 0 IGAAHN COCCN(Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21)C(C)C ZINC000012305452 523737147 /nfs/dbraw/zinc/73/71/47/523737147.db2.gz NFMLWQUOSSQVMT-UHFFFAOYSA-N 0 3 441.620 3.282 50 0 IGAAHN CN1CCN(CCCNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)CC1 ZINC000021916040 523900225 /nfs/dbraw/zinc/90/02/25/523900225.db2.gz QPBNEGPYYITQAO-UHFFFAOYSA-N 0 3 449.599 3.429 50 0 IGAAHN COc1ccc(CN(C)Cc2cc(C)no2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012452876 524006752 /nfs/dbraw/zinc/00/67/52/524006752.db2.gz JLWLETNFKQEAKE-JOCHJYFZSA-N 0 3 439.556 3.495 50 0 IGAAHN Cc1cccc(COc2ccc3ccccc3c2CNCCNC(=O)c2nonc2N)c1 ZINC000040744492 524447735 /nfs/dbraw/zinc/44/77/35/524447735.db2.gz DQYYSQRYJMMJPY-UHFFFAOYSA-N 0 3 431.496 3.212 50 0 IGAAHN Cc1ccccc1COc1ccc2ccccc2c1CNCCNC(=O)c1nonc1N ZINC000040744493 525175819 /nfs/dbraw/zinc/17/58/19/525175819.db2.gz MZYAJLLGTONBAM-UHFFFAOYSA-N 0 3 431.496 3.212 50 0 IGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012649818 526195344 /nfs/dbraw/zinc/19/53/44/526195344.db2.gz NYZMSUPACKYIHW-PZJWPPBQSA-N 0 3 444.626 3.250 50 0 IGAAHN NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 ZINC000012754049 527003399 /nfs/dbraw/zinc/00/33/99/527003399.db2.gz KTDSTSAGQOOCJM-QFIPXVFZSA-N 0 3 435.568 3.110 50 0 IGAAHN Cc1ncsc1C(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000012429772 527476123 /nfs/dbraw/zinc/47/61/23/527476123.db2.gz OBFQXERKYSGGGD-OAQYLSRUSA-N 0 3 440.613 3.475 50 0 IGAAHN COc1cccc(N2CCN(Cc3cccc(C(=O)NCCN4CCCCC4)c3)CC2)c1 ZINC000034684826 555820593 /nfs/dbraw/zinc/82/05/93/555820593.db2.gz RRMLTVLPRPQPGU-UHFFFAOYSA-N 0 3 436.600 3.233 50 0 IGAAHN O=C(c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3)N1CCN2CCC[C@@H]2C1 ZINC000004099262 555962263 /nfs/dbraw/zinc/96/22/63/555962263.db2.gz UFQCGIWAPNSGPX-OAHLLOKOSA-N 0 3 441.457 3.434 50 0 IGAAHN CCN1CCN(Cc2ccc(NC(=O)c3ccc4c(c3)nc3n(c4=O)CCCC3)cc2)CC1 ZINC000022936439 556445400 /nfs/dbraw/zinc/44/54/00/556445400.db2.gz OHPJYGSHLPPKGK-UHFFFAOYSA-N 0 3 445.567 3.123 50 0 IGAAHN O=C(c1cn(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)nn1)N1CCOCC1 ZINC000014980987 556470924 /nfs/dbraw/zinc/47/09/24/556470924.db2.gz MQEFVIGKOWEIMG-UHFFFAOYSA-N 0 3 447.539 3.380 50 0 IGAAHN Cc1c(CN2C(=O)c3cccc(N4CCN(C[C@@H]5CC=CCC5)CC4)c3C2=O)cnn1C ZINC000014982339 556471402 /nfs/dbraw/zinc/47/14/02/556471402.db2.gz AEZNUGWFYUAHBB-LJQANCHMSA-N 0 3 433.556 3.003 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4OC)C3)cc2C)CC1 ZINC000029404811 556474703 /nfs/dbraw/zinc/47/47/03/556474703.db2.gz SBTBJEGOHNZIKZ-LJQANCHMSA-N 0 3 436.556 3.137 50 0 IGAAHN Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCc2cc(F)cc(F)c2)C4)cn1 ZINC000014994388 556476787 /nfs/dbraw/zinc/47/67/87/556476787.db2.gz FHGVKHLQYUEGRQ-KRWDZBQOSA-N 0 3 441.507 3.165 50 0 IGAAHN Cn1c(SC[C@H]2CCCO2)nnc1C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000015069932 556495105 /nfs/dbraw/zinc/49/51/05/556495105.db2.gz XGAOXAGXPYFUJL-GOSISDBHSA-N 0 3 430.574 3.237 50 0 IGAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3cc(CC(C)C)n[nH]3)C2)cc1OC ZINC000015076325 556499101 /nfs/dbraw/zinc/49/91/01/556499101.db2.gz AKCHYIFVAJTLBG-HXUWFJFHSA-N 0 3 428.577 3.405 50 0 IGAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3cc(CC(C)C)n[nH]3)C2)cc1OC ZINC000015076328 556499206 /nfs/dbraw/zinc/49/92/06/556499206.db2.gz AKCHYIFVAJTLBG-FQEVSTJZSA-N 0 3 428.577 3.405 50 0 IGAAHN CC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccc(CN4CCCCC4)cc3)ccc21 ZINC000016402296 556606052 /nfs/dbraw/zinc/60/60/52/556606052.db2.gz RCYLZOFGUJVPCR-UHFFFAOYSA-N 0 3 435.524 3.377 50 0 IGAAHN CCN1CCN(C[C@@H](O)COc2cccc(CNCc3cccc(SC)c3)c2)CC1 ZINC000019222184 556716147 /nfs/dbraw/zinc/71/61/47/556716147.db2.gz XGFYAHZWPSXZLV-JOCHJYFZSA-N 0 3 429.630 3.076 50 0 IGAAHN O=C(COC(=O)C1CCN(c2ccccc2Br)C1=O)NC1CCCCCC1 ZINC000061753213 556742132 /nfs/dbraw/zinc/74/21/32/556742132.db2.gz DMVNWKUKWSYLSG-HNNXBMFYSA-N 0 3 437.334 3.184 50 0 IGAAHN CCN(CC)[C@@H](CNC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccsc1 ZINC000058281113 556777255 /nfs/dbraw/zinc/77/72/55/556777255.db2.gz SUVBJKFJXPYJCG-IBGZPJMESA-N 0 3 436.603 3.493 50 0 IGAAHN CC[C@@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000058935687 556793081 /nfs/dbraw/zinc/79/30/81/556793081.db2.gz JYSIBJSTHSCIDX-CZUORRHYSA-N 0 3 425.938 3.484 50 0 IGAAHN CCNc1cc(N2CCN(C(=O)Nc3cc(Cl)c(OC)cc3OC)CC2)nc(C)n1 ZINC000065362474 556834237 /nfs/dbraw/zinc/83/42/37/556834237.db2.gz PDSMTQVGAJDAJN-UHFFFAOYSA-N 0 3 434.928 3.242 50 0 IGAAHN CC(=O)Nc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000019817539 556920154 /nfs/dbraw/zinc/92/01/54/556920154.db2.gz CQJSBZLDDNZZPK-WIYYLYMNSA-N 0 3 447.495 3.090 50 0 IGAAHN CC[C@H](CNC(=O)Nc1cccc(Cn2cccnc2=O)c1)N1CCc2ccccc2C1 ZINC000048326460 557068648 /nfs/dbraw/zinc/06/86/48/557068648.db2.gz HMPOTJURKAMZIW-HSZRJFAPSA-N 0 3 431.540 3.250 50 0 IGAAHN COc1ccc(C)cc1NC(=O)CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382268 557089508 /nfs/dbraw/zinc/08/95/08/557089508.db2.gz OUUWFYOGVSUKFK-OXQOHEQNSA-N 0 3 434.496 3.449 50 0 IGAAHN Cc1nc2c(c(=O)n1CC(=O)NCc1ccc(Cl)cc1)CN(Cc1ccccc1)CC2 ZINC000049400824 557096178 /nfs/dbraw/zinc/09/61/78/557096178.db2.gz NPVRSYRFKIAVKJ-UHFFFAOYSA-N 0 3 436.943 3.080 50 0 IGAAHN CC1CCN([C@@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)c2cccs2)CC1 ZINC000025382154 557206647 /nfs/dbraw/zinc/20/66/47/557206647.db2.gz QHDAPNCDPOSECJ-IBGZPJMESA-N 0 3 440.569 3.003 50 0 IGAAHN COc1cccc([C@H](CNC(=O)CN2C(=O)CSc3ccccc32)N2CCCC2)c1 ZINC000027341389 557260560 /nfs/dbraw/zinc/26/05/60/557260560.db2.gz XLJCIXLYSDNFBE-FQEVSTJZSA-N 0 3 425.554 3.087 50 0 IGAAHN COc1ccccc1N1CCN(Cc2coc([O-])c(C[NH+]3CCCCCC3)c2=O)CC1 ZINC000101372077 557278832 /nfs/dbraw/zinc/27/88/32/557278832.db2.gz NDAPSQXEOLDDAY-UHFFFAOYSA-N 0 3 427.545 3.052 50 0 IGAAHN COc1ccc([C@H](CNC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)N2CCCC2)cc1 ZINC000014069134 557297449 /nfs/dbraw/zinc/29/74/49/557297449.db2.gz 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CCCC(=O)Nc1cccc(C(=O)NCc2c3c(c(OC)c4c2CCN(C)C4)OCO3)c1 ZINC000524729753 568903867 /nfs/dbraw/zinc/90/38/67/568903867.db2.gz ICUOSPURYZADHC-UHFFFAOYSA-N 0 3 439.512 3.080 50 0 IGAAHN C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H](CN(C)C)[C@H](O)c2ccccc2)C[C@H](C)O1 ZINC000241439862 568912114 /nfs/dbraw/zinc/91/21/14/568912114.db2.gz NMXWROZLTYVJFJ-RRZZWSPOSA-N 0 3 440.588 3.333 50 0 IGAAHN CCCCN(CC)C(=O)c1cc(NC(=O)c2ccccc2OC)cnc1N1CCNCC1 ZINC000065025417 569090659 /nfs/dbraw/zinc/09/06/59/569090659.db2.gz QGFMKIJKFOHKLS-UHFFFAOYSA-N 0 3 439.560 3.014 50 0 IGAAHN O=C(NCCN1CCCCCC1)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O ZINC000065172609 569113302 /nfs/dbraw/zinc/11/33/02/569113302.db2.gz PMXLBRIOANVTPY-UHFFFAOYSA-N 0 3 437.588 3.431 50 0 IGAAHN CCNc1cc(N2CCC[C@H](CCC(=O)N3CCN(C4CCCCC4)CC3)C2)ncn1 ZINC000065245058 569121572 /nfs/dbraw/zinc/12/15/72/569121572.db2.gz CQIWHCRSKMWXPI-HXUWFJFHSA-N 0 3 428.625 3.382 50 0 IGAAHN CCn1c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2n2nccc2c1=O ZINC000065270697 569127649 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FFYXBQDXTGIUHL-UHFFFAOYSA-N 0 3 435.553 3.163 50 0 IGAAHN CCN1CCN(c2ccc(NC3CCN(S(=O)(=O)c4cccs4)CC3)c(C)c2)CC1 ZINC000095457147 569368936 /nfs/dbraw/zinc/36/89/36/569368936.db2.gz JJNKRFTYDAPNIW-UHFFFAOYSA-N 0 3 448.658 3.464 50 0 IGAAHN O=C(c1cc(-c2ccc(Br)s2)[nH]n1)N1CCN(CCc2ccncc2)CC1 ZINC000095478762 569373528 /nfs/dbraw/zinc/37/35/28/569373528.db2.gz HYUMIYXUGXRENH-UHFFFAOYSA-N 0 3 446.374 3.296 50 0 IGAAHN CC(C)[C@@H](NC(=O)CN1CCC[C@@H](Cc2nccn2C)C1)c1ccc2c(c1)OCCCO2 ZINC000230128093 569438795 /nfs/dbraw/zinc/43/87/95/569438795.db2.gz RSQXAORWXFWUKL-UQBPGWFLSA-N 0 3 440.588 3.349 50 0 IGAAHN CN(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000003311848 569445546 /nfs/dbraw/zinc/44/55/46/569445546.db2.gz PGTAKCUKHZQIGH-ZEQRLZLVSA-N 0 3 441.531 3.313 50 0 IGAAHN CC(=O)N1c2ccc(S(=O)(=O)N3C[C@@H]4CCCN4Cc4ccccc43)cc2C[C@@H]1C ZINC000040146666 569492297 /nfs/dbraw/zinc/49/22/97/569492297.db2.gz JGVCXIXACNVMLQ-JXFKEZNVSA-N 0 3 425.554 3.157 50 0 IGAAHN C[C@H]1CN(C(=O)C2CCN(CCOc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000069373773 569503274 /nfs/dbraw/zinc/50/32/74/569503274.db2.gz NUQZXAOKJPEVCN-HOTGVXAUSA-N 0 3 425.367 3.176 50 0 IGAAHN C[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1 ZINC000245328842 569504059 /nfs/dbraw/zinc/50/40/59/569504059.db2.gz QAZJRAZPCXOPMT-IIBYNOLFSA-N 0 3 432.561 3.485 50 0 IGAAHN CN(C)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccncc1 ZINC000009216097 569512110 /nfs/dbraw/zinc/51/21/10/569512110.db2.gz JOFLJCZVMCCRSA-SFHVURJKSA-N 0 3 442.313 3.447 50 0 IGAAHN O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000009589571 569549934 /nfs/dbraw/zinc/54/99/34/569549934.db2.gz XUYBEKYLBAKCMB-UHFFFAOYSA-N 0 3 448.567 3.031 50 0 IGAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)Nc2ccccc2OC)c2c1CCCC2 ZINC000009746963 569565756 /nfs/dbraw/zinc/56/57/56/569565756.db2.gz ZWTJCLUZVDRKGY-UHFFFAOYSA-N 0 3 444.601 3.203 50 0 IGAAHN C[N@H+](CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)Cc1ccccc1 ZINC000009984032 569576639 /nfs/dbraw/zinc/57/66/39/569576639.db2.gz PPGDTUBJAYQMDC-UHFFFAOYSA-N 0 3 435.977 3.033 50 0 IGAAHN C[N@@H+](CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)Cc1ccccc1 ZINC000009984032 569576640 /nfs/dbraw/zinc/57/66/40/569576640.db2.gz PPGDTUBJAYQMDC-UHFFFAOYSA-N 0 3 435.977 3.033 50 0 IGAAHN O=C(NC[C@H](c1cccc2ccccc21)N1CCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000010333951 569580999 /nfs/dbraw/zinc/58/09/99/569580999.db2.gz FJGFXVKRDGCRSD-OAQYLSRUSA-N 0 3 431.492 3.460 50 0 IGAAHN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000008690132 132290586 /nfs/dbraw/zinc/29/05/86/132290586.db2.gz XSTKNPZSGWUAGH-UHFFFAOYSA-N 0 3 436.512 3.114 50 0 IGAAHN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000020841254 521369190 /nfs/dbraw/zinc/36/91/90/521369190.db2.gz IZVHYAPNFNFKDT-UHFFFAOYSA-N 0 3 442.560 3.242 50 0 IGAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)c3ccsc3)CC2)c(Cl)c1 ZINC000012592730 521784108 /nfs/dbraw/zinc/78/41/08/521784108.db2.gz SSNHWUNEOOBBRZ-UHFFFAOYSA-N 0 3 435.977 3.377 50 0 IGAAHN CNC1(c2nnnn2-c2sc3c(c2C(=O)OC)CCCC3)C2CC3CC(C2)CC1C3 ZINC000035178164 521949088 /nfs/dbraw/zinc/94/90/88/521949088.db2.gz PPGMSMPHXZYTEE-UHFFFAOYSA-N 0 3 427.574 3.260 50 0 IGAAHN CCc1ccc(CN2CCC(Oc3cc(C(=O)NCCN(C)C)ccc3OC)CC2)o1 ZINC000012718683 523924485 /nfs/dbraw/zinc/92/44/85/523924485.db2.gz KXZZMOSNWILXGF-UHFFFAOYSA-N 0 3 429.561 3.185 50 0 IGAAHN Cc1ccc(C)c(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1 ZINC000020999025 524104380 /nfs/dbraw/zinc/10/43/80/524104380.db2.gz JGKJTVDNHIBIOP-QHCPKHFHSA-N 0 3 432.572 3.475 50 0 IGAAHN COc1ccccc1OCC(=O)NC[C@@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000012112141 524661366 /nfs/dbraw/zinc/66/13/66/524661366.db2.gz PQWLPAAZSBRIKI-NRFANRHFSA-N 0 3 434.540 3.288 50 0 IGAAHN Cc1ccccc1-c1ccc(CN2CCC(n3cc(C(=O)NCCCO)nn3)CC2)cc1 ZINC000015071850 525004451 /nfs/dbraw/zinc/00/44/51/525004451.db2.gz YRUKGADLLRUCPM-UHFFFAOYSA-N 0 3 433.556 3.203 50 0 IGAAHN O[C@H](COc1ccccc1CNCc1cc2cc(F)ccc2[nH]1)CN1CCSCC1 ZINC000012385757 526293445 /nfs/dbraw/zinc/29/34/45/526293445.db2.gz LMSILBOCXJVHLB-NRFANRHFSA-N 0 3 429.561 3.385 50 0 IGAAHN O=C(CCn1nc(-c2ccccc2)ccc1=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000020724023 526690277 /nfs/dbraw/zinc/69/02/77/526690277.db2.gz LBVMCDNOTDVKKW-UHFFFAOYSA-N 0 3 444.579 3.371 50 0 IGAAHN Cn1c(CCN2CCN(C)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000020533194 527049284 /nfs/dbraw/zinc/04/92/84/527049284.db2.gz RAAMDBRJYZVAQD-UHFFFAOYSA-N 0 3 441.963 3.034 50 0 IGAAHN OCCOc1cccc(CN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)c1 ZINC000012281033 527557884 /nfs/dbraw/zinc/55/78/84/527557884.db2.gz NXNMOUBPTJCYBR-NRFANRHFSA-N 0 3 442.629 3.415 50 0 IGAAHN COc1cc(OC)c(OC)cc1CN1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000004663147 536866322 /nfs/dbraw/zinc/86/63/22/536866322.db2.gz GXJTZFRBYJGXIU-UHFFFAOYSA-N 0 3 425.573 3.499 50 0 IGAAHN CC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C ZINC000034830262 555911755 /nfs/dbraw/zinc/91/17/55/555911755.db2.gz JPBSWCCJEULJAV-HOYKHHGWSA-N 0 3 425.598 3.473 50 0 IGAAHN O[C@H](CNCCNc1nccc(C(F)(F)F)n1)COc1ccc(Cl)c(Cl)c1 ZINC000003467465 555935939 /nfs/dbraw/zinc/93/59/39/555935939.db2.gz SINZMKKOALSSSA-SNVBAGLBSA-N 0 3 425.238 3.244 50 0 IGAAHN O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@H]2C1 ZINC000002778101 556141024 /nfs/dbraw/zinc/14/10/24/556141024.db2.gz IGKMBQXHNGXJPK-HNNXBMFYSA-N 0 3 433.409 3.474 50 0 IGAAHN CC1CCN([C@@H](CNC(=O)CN2c3ccccc3OCCC2=O)c2cccs2)CC1 ZINC000032748012 556316629 /nfs/dbraw/zinc/31/66/29/556316629.db2.gz IWCSGRZBYLHBIU-IBGZPJMESA-N 0 3 427.570 3.453 50 0 IGAAHN O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2 ZINC000011909391 556374720 /nfs/dbraw/zinc/37/47/20/556374720.db2.gz ROJWKIUUNQQSMM-UHFFFAOYSA-N 0 3 441.535 3.455 50 0 IGAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000011933626 556376770 /nfs/dbraw/zinc/37/67/70/556376770.db2.gz XMVPHQNYMSUORO-UHFFFAOYSA-N 0 3 425.548 3.420 50 0 IGAAHN CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2ccc4cccnc4c2)CC3)CC1 ZINC000011996402 556384087 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0 IGAAHN CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000061999528 556764081 /nfs/dbraw/zinc/76/40/81/556764081.db2.gz QMRDWBOJBXXNFN-NNPDTBDGSA-N 0 3 433.508 3.442 50 0 IGAAHN CC[C@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000058935692 556793136 /nfs/dbraw/zinc/79/31/36/556793136.db2.gz JYSIBJSTHSCIDX-BBRMVZONSA-N 0 3 425.938 3.484 50 0 IGAAHN COc1ccc(NC(=O)c2nnc(C(=O)NCCCN(C)Cc3ccccc3)s2)cc1 ZINC000033060160 556816521 /nfs/dbraw/zinc/81/65/21/556816521.db2.gz KBRIZUXKNOYQBZ-UHFFFAOYSA-N 0 3 439.541 3.051 50 0 IGAAHN O=C(NCCN1CCC(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000004711338 556889639 /nfs/dbraw/zinc/88/96/39/556889639.db2.gz ZEXDHNRLJMFCFU-RUZDIDTESA-N 0 3 433.596 3.149 50 0 IGAAHN CC(C)Cc1cc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]n1 ZINC000019792357 556915567 /nfs/dbraw/zinc/91/55/67/556915567.db2.gz VPNXLFMCKWHLDM-QHCPKHFHSA-N 0 3 439.604 3.119 50 0 IGAAHN CC(C)Cc1cc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n[nH]1 ZINC000019792357 556915570 /nfs/dbraw/zinc/91/55/70/556915570.db2.gz VPNXLFMCKWHLDM-QHCPKHFHSA-N 0 3 439.604 3.119 50 0 IGAAHN NC(=O)c1cnn2c1nccc2[C@@H]1CCCCN1C(=O)c1ccccc1CN1CCCCC1 ZINC000077010946 556995671 /nfs/dbraw/zinc/99/56/71/556995671.db2.gz DWTZPAPYTNXJRI-NRFANRHFSA-N 0 3 446.555 3.182 50 0 IGAAHN COc1ccc(C)cc1NC(=O)CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382262 557089640 /nfs/dbraw/zinc/08/96/40/557089640.db2.gz OUUWFYOGVSUKFK-OXJNMPFZSA-N 0 3 434.496 3.449 50 0 IGAAHN Cc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000072288414 557149052 /nfs/dbraw/zinc/14/90/52/557149052.db2.gz SIQMZJWRRPQQTL-NRFANRHFSA-N 0 3 433.618 3.034 50 0 IGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000102724153 557369679 /nfs/dbraw/zinc/36/96/79/557369679.db2.gz UVOPOOFLTDESHU-XPWALMASSA-N 0 3 446.459 3.461 50 0 IGAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)CCn2c3ccccc3oc2=O)cc1 ZINC000004879603 557400565 /nfs/dbraw/zinc/40/05/65/557400565.db2.gz PCXSLSMRUUPAIY-UHFFFAOYSA-N 0 3 425.485 3.122 50 0 IGAAHN Cc1cc(NC(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)ccc1S(C)(=O)=O ZINC000685939939 557838829 /nfs/dbraw/zinc/83/88/29/557838829.db2.gz RPIHIUBUEMRAJU-WOJBJXKFSA-N 0 3 427.570 3.384 50 0 IGAAHN CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C1CCN(C)CC1 ZINC000002633106 562928892 /nfs/dbraw/zinc/92/88/92/562928892.db2.gz UWKVOFDZCPFIKZ-UHFFFAOYSA-N 0 3 447.988 3.258 50 0 IGAAHN C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H](CN(C)C)[C@@H](O)c2ccccc2)C[C@@H](C)O1 ZINC000106103897 568624741 /nfs/dbraw/zinc/62/47/41/568624741.db2.gz NMXWROZLTYVJFJ-ZRXZBVFWSA-N 0 3 440.588 3.333 50 0 IGAAHN COc1cc(CN2CCc3ccccc3C2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000015073213 568635634 /nfs/dbraw/zinc/63/56/34/568635634.db2.gz UGGJENCULARKJM-JOCHJYFZSA-N 0 3 428.598 3.042 50 0 IGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1cnc3ccccc3c1)CC2 ZINC000299784204 568757344 /nfs/dbraw/zinc/75/73/44/568757344.db2.gz WWZAYDRWKSSUOT-IBGZPJMESA-N 0 3 429.524 3.481 50 0 IGAAHN O=C(NCCN1CCCC1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 ZINC000299795986 568757907 /nfs/dbraw/zinc/75/79/07/568757907.db2.gz NVIQNPCSEPSDEQ-UHFFFAOYSA-N 0 3 428.540 3.131 50 0 IGAAHN Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NCCN2CCCCCC2)n1 ZINC000015729772 568813648 /nfs/dbraw/zinc/81/36/48/568813648.db2.gz JBFGQFSHRBHHKF-UHFFFAOYSA-N 0 3 428.924 3.490 50 0 IGAAHN CC[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776096 568955077 /nfs/dbraw/zinc/95/50/77/568955077.db2.gz NZZBZKPPBQRKHP-NRFANRHFSA-N 0 3 435.572 3.316 50 0 IGAAHN CCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H](O)COCC(C)C ZINC000036151040 568964030 /nfs/dbraw/zinc/96/40/30/568964030.db2.gz KMRKOSOCNCUPGM-NRFANRHFSA-N 0 3 431.577 3.424 50 0 IGAAHN O=C(NCCN1CCCCC1)c1ccc2c(c1)nc(N1CCCC1)n(-c1ccccc1)c2=O ZINC000064819389 568966210 /nfs/dbraw/zinc/96/62/10/568966210.db2.gz AXDBUOVYUMYAMD-UHFFFAOYSA-N 0 3 445.567 3.202 50 0 IGAAHN O=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000065061680 569096829 /nfs/dbraw/zinc/09/68/29/569096829.db2.gz XBKOCQKXBOBMRD-UHFFFAOYSA-N 0 3 439.647 3.016 50 0 IGAAHN CC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccccc1)CN(Cc1ccccc1)CC2 ZINC000065153597 569112071 /nfs/dbraw/zinc/11/20/71/569112071.db2.gz WJSQAAZMWPCKQK-UHFFFAOYSA-N 0 3 430.552 3.241 50 0 IGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000065615085 569140269 /nfs/dbraw/zinc/14/02/69/569140269.db2.gz XNIMSJHXTWRPHL-HXUWFJFHSA-N 0 3 429.948 3.331 50 0 IGAAHN COc1ccc(-n2nc3nc(NCCN(C)C)nc(-c4cccc(OC)c4)c3c2N)cc1 ZINC000037359847 569181431 /nfs/dbraw/zinc/18/14/31/569181431.db2.gz DKTOGSKBKAXBBB-UHFFFAOYSA-N 0 3 433.516 3.055 50 0 IGAAHN COc1cccc([C@H](CNC(=O)CCN2C(=O)CSc3ccccc32)N2CCCC2)c1 ZINC000027341635 569190748 /nfs/dbraw/zinc/19/07/48/569190748.db2.gz WMNMZKUJMKOMON-NRFANRHFSA-N 0 3 439.581 3.477 50 0 IGAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)C2)CC1 ZINC000581820134 569211711 /nfs/dbraw/zinc/21/17/11/569211711.db2.gz UHKUDDFLEZBXJN-QFIPXVFZSA-N 0 3 438.616 3.277 50 0 IGAAHN O=C(CC1CCCC1)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581820072 569211723 /nfs/dbraw/zinc/21/17/23/569211723.db2.gz PYWKDRCKROHFKK-QFIPXVFZSA-N 0 3 426.605 3.324 50 0 IGAAHN Cc1ccc(CNC(=O)N2CCC3(CC2)C[C@@H](N2CCN(C(C)C)CC2)CCO3)cc1 ZINC000581820090 569211770 /nfs/dbraw/zinc/21/17/70/569211770.db2.gz QKHPVADGNBPURF-QHCPKHFHSA-N 0 3 428.621 3.244 50 0 IGAAHN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(CN3CCCCCC3)n1C)CC2 ZINC000253414751 569266075 /nfs/dbraw/zinc/26/60/75/569266075.db2.gz YMABSTUXBKNNPZ-UHFFFAOYSA-N 0 3 441.572 3.042 50 0 IGAAHN O=C(c1csc(I)c1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000079105983 569325626 /nfs/dbraw/zinc/32/56/26/569325626.db2.gz SHUPZYSQWAOESY-CQSZACIVSA-N 0 3 434.343 3.070 50 0 IGAAHN CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H](NCCCN1CCCC1=O)c1ccccc1O2 ZINC000095455504 569368544 /nfs/dbraw/zinc/36/85/44/569368544.db2.gz MLIIPJIXOWWSFX-YADARESESA-N 0 3 429.561 3.492 50 0 IGAAHN COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)N3CCN4CCC[C@H]4C3)c2n1 ZINC000002792083 569421863 /nfs/dbraw/zinc/42/18/63/569421863.db2.gz SITOLYYNTFRUSS-AWEZNQCLSA-N 0 3 427.455 3.263 50 0 IGAAHN CCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000230160383 569439824 /nfs/dbraw/zinc/43/98/24/569439824.db2.gz JXKHJAIEPFCSNA-WOJBJXKFSA-N 0 3 437.606 3.112 50 0 IGAAHN Cc1cc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)c2cccc(Cl)c2n1 ZINC000670447930 569454224 /nfs/dbraw/zinc/45/42/24/569454224.db2.gz UFUZGNBADPXIKG-OUXPZVHUSA-N 0 3 446.982 3.494 50 0 IGAAHN Nc1nc(N2CCN(C3CCCCC3)CC2)ncc1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000067336468 569468934 /nfs/dbraw/zinc/46/89/34/569468934.db2.gz QPXLPBCGKDTHSP-UHFFFAOYSA-N 0 3 446.958 3.236 50 0 IGAAHN Cc1ccc(-c2noc(CS(=O)(=O)C(C)C(=O)NC[C@H](C)c3ccccc3)n2)cc1 ZINC000040121900 569489556 /nfs/dbraw/zinc/48/95/56/569489556.db2.gz DKOGJHDWZWXZTO-DLBZAZTESA-N 0 3 427.526 3.268 50 0 IGAAHN Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 ZINC000069656244 569511725 /nfs/dbraw/zinc/51/17/25/569511725.db2.gz YQHOXILAKAZPQR-RTBURBONSA-N 0 3 445.567 3.383 50 0 IGAAHN Cc1oc(-c2ccc(C(=O)NCCN(C)C)cc2)nc1CS(=O)(=O)c1ccc(C)cc1 ZINC000009212110 569512000 /nfs/dbraw/zinc/51/20/00/569512000.db2.gz BBVKZMNZMXPOCL-UHFFFAOYSA-N 0 3 441.553 3.224 50 0 IGAAHN Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 ZINC000069740233 569515769 /nfs/dbraw/zinc/51/57/69/569515769.db2.gz PTWZTQZYPILZQP-OAQYLSRUSA-N 0 3 431.540 3.043 50 0 IGAAHN CN(C)[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)Cc1ccccc1 ZINC000009670592 569558361 /nfs/dbraw/zinc/55/83/61/569558361.db2.gz GGMXFHBJCPXZKY-NRFANRHFSA-N 0 3 426.520 3.288 50 0 IGAAHN CN(CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1)Cc1ccccc1 ZINC000009676793 569559482 /nfs/dbraw/zinc/55/94/82/569559482.db2.gz BHMBLJFURXQDLG-UHFFFAOYSA-N 0 3 441.597 3.176 50 0 IGAAHN CCN1CCC(NC(=O)CSc2nnc(N3CCCCC3)n2-c2ccc(C)cc2)CC1 ZINC000010195282 569578922 /nfs/dbraw/zinc/57/89/22/569578922.db2.gz GBUXLGVVIPHULJ-UHFFFAOYSA-N 0 3 442.633 3.259 50 0 IGAAHN COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)N1CCCC1 ZINC000010334137 569581096 /nfs/dbraw/zinc/58/10/96/569581096.db2.gz JCVVSOQVMJHDPE-QHCPKHFHSA-N 0 3 431.536 3.418 50 0 IGAAHN O=c1c(CN2CCN(c3ccccn3)CC2)cc2ccc(F)cc2n1CCN1CCCCC1 ZINC000011788529 132339866 /nfs/dbraw/zinc/33/98/66/132339866.db2.gz GNVGTXZPZHCLSN-UHFFFAOYSA-N 0 3 449.574 3.344 50 0 IGAAHN CC(=O)Nc1ccc(CN2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)cc1 ZINC000012126700 519715692 /nfs/dbraw/zinc/71/56/92/519715692.db2.gz NLOYOBIORMPCSH-FQEVSTJZSA-N 0 3 429.590 3.424 50 0 IGAAHN CCCC(=O)OC[C@H](O)CN(CCN1CCCC1)Cc1cccn1Cc1ccc(F)cc1 ZINC000035840494 519881193 /nfs/dbraw/zinc/88/11/93/519881193.db2.gz ZVKNEANDRFOEPB-XMMPIXPASA-N 0 3 445.579 3.278 50 0 IGAAHN CCCCCN(CCC(=O)N(CCN(C)C)Cc1ccccc1)C(=O)c1cnccn1 ZINC000035819623 520159266 /nfs/dbraw/zinc/15/92/66/520159266.db2.gz NBRHMPMOTUVSGF-UHFFFAOYSA-N 0 3 425.577 3.090 50 0 IGAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@H]3CC34CCC4)CC2)c(Cl)c1 ZINC000012373712 521786015 /nfs/dbraw/zinc/78/60/15/521786015.db2.gz RTDAYNSCVLUNBT-GOSISDBHSA-N 0 3 433.980 3.191 50 0 IGAAHN COc1cc(CNCCCSc2nnnn2C)cc(Br)c1OC(C)C ZINC000040744643 522450277 /nfs/dbraw/zinc/45/02/77/522450277.db2.gz KMQYJIWVENPKHF-UHFFFAOYSA-N 0 3 430.372 3.040 50 0 IGAAHN COCc1ccc(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)o1 ZINC000012454483 522972090 /nfs/dbraw/zinc/97/20/90/522972090.db2.gz NFWITHQRSSJDRN-UHFFFAOYSA-N 0 3 449.979 3.414 50 0 IGAAHN COCCCN1C(=O)C(CC(=O)Nc2cc(OC)ccc2OC)n2c3ccccc3nc21 ZINC000023411218 523292860 /nfs/dbraw/zinc/29/28/60/523292860.db2.gz ZSJATTMKLHFVCT-IBGZPJMESA-N 0 3 438.484 3.007 50 0 IGAAHN Cc1cc(C)n2nc(C(=O)Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)nc2n1 ZINC000012543191 524568527 /nfs/dbraw/zinc/56/85/27/524568527.db2.gz DXGGNMTVHIHWAG-UHFFFAOYSA-N 0 3 441.539 3.316 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)c2ccc(CN3CCCCC3)cc2)N2CCOCC2)cc1 ZINC000022686685 525184708 /nfs/dbraw/zinc/18/47/08/525184708.db2.gz IWXQIJIUTXVIJO-RUZDIDTESA-N 0 3 437.584 3.484 50 0 IGAAHN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc2N1C(=O)C1CC1 ZINC000020516857 525522005 /nfs/dbraw/zinc/52/20/05/525522005.db2.gz GLKBYXSQFLWHBJ-QGZVFWFLSA-N 0 3 431.602 3.013 50 0 IGAAHN O=C(CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000035404162 526724011 /nfs/dbraw/zinc/72/40/11/526724011.db2.gz NUFVUZJICNMXFR-UHFFFAOYSA-N 0 3 433.600 3.438 50 0 IGAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000009917044 536048472 /nfs/dbraw/zinc/04/84/72/536048472.db2.gz LQSBWKNEOJUIRX-UHFFFAOYSA-N 0 3 440.569 3.159 50 0 IGAAHN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN5CCC[C@H]5C4)c3n2)cc1 ZINC000000815399 555561783 /nfs/dbraw/zinc/56/17/83/555561783.db2.gz OTTXTXCDQWKBEW-HNNXBMFYSA-N 0 3 427.455 3.263 50 0 IGAAHN Cc1cc([C@@H]2CC[C@H](C(=O)NCCN(C)C)CN2C(=O)NCc2ccccc2)ccc1F ZINC000034716050 555865379 /nfs/dbraw/zinc/86/53/79/555865379.db2.gz AVYHGRKFDBLTID-GMAHTHKFSA-N 0 3 440.563 3.475 50 0 IGAAHN O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@@H]2C1 ZINC000002778102 556141044 /nfs/dbraw/zinc/14/10/44/556141044.db2.gz IGKMBQXHNGXJPK-OAHLLOKOSA-N 0 3 433.409 3.474 50 0 IGAAHN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cccs2)cnc1N1CCNCC1 ZINC000065025390 556302163 /nfs/dbraw/zinc/30/21/63/556302163.db2.gz CHIWLRHBFJWGBR-UHFFFAOYSA-N 0 3 435.553 3.077 50 0 IGAAHN COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000011783123 556351460 /nfs/dbraw/zinc/35/14/60/556351460.db2.gz XBYVXOOZYCDXFS-GOSISDBHSA-N 0 3 445.567 3.121 50 0 IGAAHN C/C(=C\c1ccccc1)CN1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000011882195 556373726 /nfs/dbraw/zinc/37/37/26/556373726.db2.gz FJGYBDOILMIRHI-DHUDHEQZSA-N 0 3 445.567 3.496 50 0 IGAAHN COc1ccc([C@H](CNC(=O)N2CCN(Cc3ccsc3)CC2)N2CCCC2)cc1 ZINC000014165287 556379460 /nfs/dbraw/zinc/37/94/60/556379460.db2.gz OHXPWDYJCQZZMM-QFIPXVFZSA-N 0 3 428.602 3.421 50 0 IGAAHN CN(C)[C@H](CNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)Cc1ccccc1 ZINC000014188581 556386985 /nfs/dbraw/zinc/38/69/85/556386985.db2.gz MOHBMMOOAPTRFM-QFIPXVFZSA-N 0 3 441.531 3.386 50 0 IGAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccccc1C(F)(F)F)C2 ZINC000014733529 556437755 /nfs/dbraw/zinc/43/77/55/556437755.db2.gz YBPCPQRFHPZDSR-HNNXBMFYSA-N 0 3 438.519 3.275 50 0 IGAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000014741474 556438804 /nfs/dbraw/zinc/43/88/04/556438804.db2.gz XSTCASADWYAXJS-UHFFFAOYSA-N 0 3 448.567 3.268 50 0 IGAAHN Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cc1F ZINC000014754243 556444699 /nfs/dbraw/zinc/44/46/99/556444699.db2.gz BHBQALHJMBZNIV-LJQANCHMSA-N 0 3 428.552 3.106 50 0 IGAAHN CCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc(C(=O)OC)cc3)CC2)C1=O ZINC000014754527 556444730 /nfs/dbraw/zinc/44/47/30/556444730.db2.gz YZEDJYRMKQOMKR-UHFFFAOYSA-N 0 3 449.551 3.335 50 0 IGAAHN Cc1ccc(-n2cccn2)c(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)c1 ZINC000014980533 556470621 /nfs/dbraw/zinc/47/06/21/556470621.db2.gz SWGSMZOKDGPUKJ-LJQANCHMSA-N 0 3 434.544 3.189 50 0 IGAAHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNC[C@@H]([C@H]1CCOC1)N1CCOCC1 ZINC000030666175 556501450 /nfs/dbraw/zinc/50/14/50/556501450.db2.gz CIEOTPQTBMHXQR-REWPJTCUSA-N 0 3 432.996 3.029 50 0 IGAAHN CCN1CCN(CCCNC(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)CC1 ZINC000020415001 556556379 /nfs/dbraw/zinc/55/63/79/556556379.db2.gz ALWONZDZVDRHDH-UHFFFAOYSA-N 0 3 429.634 3.290 50 0 IGAAHN COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)ccc1O ZINC000016751583 556637478 /nfs/dbraw/zinc/63/74/78/556637478.db2.gz FOQSLXUODOMUBF-HXUWFJFHSA-N 0 3 426.444 3.143 50 0 IGAAHN O=C(CSc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCN1CCCCCC1 ZINC000033011654 556659594 /nfs/dbraw/zinc/65/95/94/556659594.db2.gz BKMVOWYPNUJVAS-UHFFFAOYSA-N 0 3 437.566 3.014 50 0 IGAAHN CCN1CC[C@H](CN(C)Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)C1 ZINC000019301044 556735377 /nfs/dbraw/zinc/73/53/77/556735377.db2.gz YDIKQEIDVUYZPY-OAQYLSRUSA-N 0 3 432.634 3.082 50 0 IGAAHN O=C(c1nc2ccccn2c1CN1CCN([C@@H]2CCc3ccccc3C2)CC1)N1CCCC1 ZINC000019595133 556830518 /nfs/dbraw/zinc/83/05/18/556830518.db2.gz RJDBSPUPBVHURU-HSZRJFAPSA-N 0 3 443.595 3.245 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnc(N2CCOCC2)c2ccccc12 ZINC000033073047 556852534 /nfs/dbraw/zinc/85/25/34/556852534.db2.gz HCKJQJHWKPSBSN-UHFFFAOYSA-N 0 3 430.552 3.466 50 0 IGAAHN CC(C)Cc1cc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]n1 ZINC000019792356 556915664 /nfs/dbraw/zinc/91/56/64/556915664.db2.gz VPNXLFMCKWHLDM-HSZRJFAPSA-N 0 3 439.604 3.119 50 0 IGAAHN CC(C)Cc1cc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n[nH]1 ZINC000019792356 556915667 /nfs/dbraw/zinc/91/56/67/556915667.db2.gz VPNXLFMCKWHLDM-HSZRJFAPSA-N 0 3 439.604 3.119 50 0 IGAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2sc3ncccc3c2-n2cccc2)CC1 ZINC000033298014 557073824 /nfs/dbraw/zinc/07/38/24/557073824.db2.gz RKXGSLPRJONBQF-UHFFFAOYSA-N 0 3 437.569 3.033 50 0 IGAAHN c1cc(N2CCSCC2)ncc1-c1noc(CN2CCN(C3CCCCC3)CC2)n1 ZINC000049409732 557104964 /nfs/dbraw/zinc/10/49/64/557104964.db2.gz VEMKEWKCIMCAII-UHFFFAOYSA-N 0 3 428.606 3.135 50 0 IGAAHN CCN1CCC[C@H]1CN/C=C1/c2ccccc2C(=O)N(c2ccc(OC)cc2OC)C1=O ZINC000100903625 557199719 /nfs/dbraw/zinc/19/97/19/557199719.db2.gz JCXABLFQZDFOLD-TYYMKKSVSA-N 0 3 435.524 3.306 50 0 IGAAHN COCCN(C[C@@H]1CN(Cc2cc(C)c(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000105050420 557473858 /nfs/dbraw/zinc/47/38/58/557473858.db2.gz RTXOTWVFTCYHRU-NZQKXSOJSA-N 0 3 432.536 3.373 50 0 IGAAHN CC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000105061269 557475612 /nfs/dbraw/zinc/47/56/12/557475612.db2.gz JPBSWCCJEULJAV-UUOWRZLLSA-N 0 3 425.598 3.473 50 0 IGAAHN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000225609397 557751040 /nfs/dbraw/zinc/75/10/40/557751040.db2.gz YNZASQNWTMXSMT-QGZVFWFLSA-N 0 3 435.572 3.144 50 0 IGAAHN COc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc1OC ZINC000023373041 568613326 /nfs/dbraw/zinc/61/33/26/568613326.db2.gz IEUALMVDNSCIPW-OAQYLSRUSA-N 0 3 425.573 3.499 50 0 IGAAHN CN1CCCN(C(=O)[C@H]2CC23CCN(Cc2cccn2-c2ccc(Cl)cn2)CC3)CC1 ZINC000299787856 568757532 /nfs/dbraw/zinc/75/75/32/568757532.db2.gz 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Cc1cccc(-c2nc3sc(N(C)CC(=O)NCCN(C)C)nn3c2NC(C)(C)C)c1 ZINC000064703633 568944438 /nfs/dbraw/zinc/94/44/38/568944438.db2.gz XSYHVEVYCBQITM-UHFFFAOYSA-N 0 3 443.621 3.091 50 0 IGAAHN CC1(C)CC(=O)c2cnc3c(C(=O)NCCCN4CCc5ccccc5C4)cnn3c2C1 ZINC000064987484 569082424 /nfs/dbraw/zinc/08/24/24/569082424.db2.gz HSNFZWBFYICZEH-UHFFFAOYSA-N 0 3 431.540 3.063 50 0 IGAAHN Cc1ccccc1C(=O)Nc1cnc(N2CCNCC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000065025359 569090585 /nfs/dbraw/zinc/09/05/85/569090585.db2.gz AJKKAXOXSWTFBC-UHFFFAOYSA-N 0 3 443.551 3.324 50 0 IGAAHN C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000036394355 569098861 /nfs/dbraw/zinc/09/88/61/569098861.db2.gz LLIRIZDBEXDFMU-JXFKEZNVSA-N 0 3 444.373 3.348 50 0 IGAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1F)CN(Cc1ccccc1)CC2 ZINC000065153542 569112074 /nfs/dbraw/zinc/11/20/74/569112074.db2.gz YHKSSCKRMRKEOX-UHFFFAOYSA-N 0 3 438.478 3.281 50 0 IGAAHN Cc1nn(C)c(C)c1CCCN(C)C(=O)c1cccnc1N1CCN[C@@H](c2ccccc2)C1 ZINC000065255849 569122993 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CCCN1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3ccccc3C)o2)CC1 ZINC000020514676 519858158 /nfs/dbraw/zinc/85/81/58/519858158.db2.gz AQFMJXZFDIEBRC-SSEXGKCCSA-N 0 3 431.602 3.043 50 0 IGAAHN CCCc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)n(C)n1 ZINC000012713085 521351145 /nfs/dbraw/zinc/35/11/45/521351145.db2.gz NBEVOWPYFDXGSA-FQEVSTJZSA-N 0 3 443.611 3.428 50 0 IGAAHN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CNCCC(C)C)c1 ZINC000014361517 521498928 /nfs/dbraw/zinc/49/89/28/521498928.db2.gz KHIFRBCOGCNZHW-UHFFFAOYSA-N 0 3 433.574 3.485 50 0 IGAAHN CCC(CC)CN1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)Nc1cccc(SC)c1 ZINC000012282786 521525971 /nfs/dbraw/zinc/52/59/71/521525971.db2.gz SCGJDPDEXUMQDF-XLIONFOSSA-N 0 3 445.589 3.477 50 0 IGAAHN CCOC(=O)c1noc2ncnc(NCCCN3CCN(c4cccc(C)c4)[C@H](C)C3)c12 ZINC000035538558 521608551 /nfs/dbraw/zinc/60/85/51/521608551.db2.gz ZEZZFTHMDIIDOQ-QGZVFWFLSA-N 0 3 438.532 3.116 50 0 IGAAHN CCN1CCN(CCCNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)CC1 ZINC000020465944 521682026 /nfs/dbraw/zinc/68/20/26/521682026.db2.gz ATXOETNDBFVWNO-UHFFFAOYSA-N 0 3 425.602 3.461 50 0 IGAAHN COC(=O)C1CCN(C[C@H](O)COc2cccc(CN(C)Cc3ccc(F)cc3)c2)CC1 ZINC000012714297 522914937 /nfs/dbraw/zinc/91/49/37/522914937.db2.gz AJSJSYLTWHYMPH-QHCPKHFHSA-N 0 3 444.547 3.082 50 0 IGAAHN CCc1ccc(CN2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)cc1 ZINC000020454951 523929799 /nfs/dbraw/zinc/92/97/99/523929799.db2.gz XIXOYEHZBGSDHK-UHFFFAOYSA-N 0 3 425.483 3.107 50 0 IGAAHN CCc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)N(C)C)cc1 ZINC000012785249 524048921 /nfs/dbraw/zinc/04/89/21/524048921.db2.gz GODFPPMARMQGFV-FQEVSTJZSA-N 0 3 437.993 3.185 50 0 IGAAHN COc1cccc(CN2CCN(C3CCN(c4ccccc4F)CC3)C[C@@H]2CCO)c1 ZINC000020906798 525945473 /nfs/dbraw/zinc/94/54/73/525945473.db2.gz CAOHKWDKHJCSRC-QFIPXVFZSA-N 0 3 427.564 3.372 50 0 IGAAHN Cc1occc1C(=O)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000012191820 526803225 /nfs/dbraw/zinc/80/32/25/526803225.db2.gz NNVAHFFAXHXSID-UHFFFAOYSA-N 0 3 433.936 3.216 50 0 IGAAHN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000012745415 527200059 /nfs/dbraw/zinc/20/00/59/527200059.db2.gz NMGKDRSRCKJTAP-KRWDZBQOSA-N 0 3 434.466 3.112 50 0 IGAAHN Cn1cc(CN[C@H](CCn2cncn2)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012592314 527222005 /nfs/dbraw/zinc/22/20/05/527222005.db2.gz FCIUMJWSBOMNGU-OAQYLSRUSA-N 0 3 430.512 3.371 50 0 IGAAHN O=C(c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3)N1CCN2CCC[C@H]2C1 ZINC000004099263 555962212 /nfs/dbraw/zinc/96/22/12/555962212.db2.gz UFQCGIWAPNSGPX-HNNXBMFYSA-N 0 3 441.457 3.434 50 0 IGAAHN COc1cc(CNCCOCCO)cc(Br)c1OCc1ccc(F)cc1 ZINC000010435693 556334549 /nfs/dbraw/zinc/33/45/49/556334549.db2.gz SJIABWKCEZKVST-UHFFFAOYSA-N 0 3 428.298 3.274 50 0 IGAAHN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](CN(C)C)c3ccccc3)cc2)C1 ZINC000032781264 556349332 /nfs/dbraw/zinc/34/93/32/556349332.db2.gz GZQCLGVCFDRLAR-GCJKJVERSA-N 0 3 429.586 3.140 50 0 IGAAHN CN(C)Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000032795678 556357870 /nfs/dbraw/zinc/35/78/70/556357870.db2.gz LJZRARKBVAAVBW-KRWDZBQOSA-N 0 3 430.346 3.180 50 0 IGAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CN(C)CCCCN1CCOCC1 ZINC000011819507 556361531 /nfs/dbraw/zinc/36/15/31/556361531.db2.gz DRSUYDCZNDQPNR-UHFFFAOYSA-N 0 3 441.620 3.203 50 0 IGAAHN CC(C)(CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCCCC1 ZINC000014187154 556386370 /nfs/dbraw/zinc/38/63/70/556386370.db2.gz RXMCWYQLDQIWDX-UHFFFAOYSA-N 0 3 441.597 3.432 50 0 IGAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1cccc(Cl)c1)C2 ZINC000014532904 556421544 /nfs/dbraw/zinc/42/15/44/556421544.db2.gz WAVISZSLHSKHAC-IBGZPJMESA-N 0 3 430.980 3.312 50 0 IGAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2CCC(C)C ZINC000014746253 556441149 /nfs/dbraw/zinc/44/11/49/556441149.db2.gz ZHUOHOHWVYIXTO-HXUWFJFHSA-N 0 3 430.593 3.194 50 0 IGAAHN COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2cccc(OC)c2)CC3)cc1 ZINC000014746849 556441583 /nfs/dbraw/zinc/44/15/83/556441583.db2.gz XMXCLQXSRDRXJI-UHFFFAOYSA-N 0 3 437.540 3.175 50 0 IGAAHN CC(C)CN1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 ZINC000072281877 556463075 /nfs/dbraw/zinc/46/30/75/556463075.db2.gz GNFBMGDJIKYSLJ-UHFFFAOYSA-N 0 3 449.661 3.374 50 0 IGAAHN COCCCn1cnc2sc3c(c2c1=O)CC[C@H](N1CCN(c2ccccc2)CC1)C3 ZINC000014971752 556467431 /nfs/dbraw/zinc/46/74/31/556467431.db2.gz FKBJJPQFDXSSKY-IBGZPJMESA-N 0 3 438.597 3.174 50 0 IGAAHN CCc1c(C(=O)NCc2nnc(-c3ccccc3)o2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000014989889 556474402 /nfs/dbraw/zinc/47/44/02/556474402.db2.gz JAQWFTGDYJJOFN-UHFFFAOYSA-N 0 3 449.555 3.185 50 0 IGAAHN CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1ccc(C(C)=O)s1 ZINC000015061944 556490519 /nfs/dbraw/zinc/49/05/19/556490519.db2.gz ZMZGRCWMEUVEKV-FQEVSTJZSA-N 0 3 435.634 3.236 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)COc1ccc2c(c1)occ(-c1ccc(OC)cc1)c2=O ZINC000013550171 556515009 /nfs/dbraw/zinc/51/50/09/556515009.db2.gz KKQMJJLROBQJSM-GOSISDBHSA-N 0 3 436.508 3.448 50 0 IGAAHN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](C(C)C)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016010332 556573912 /nfs/dbraw/zinc/57/39/12/556573912.db2.gz JYDJTIILAZQOPN-KSYXXAMZSA-N 0 3 435.499 3.019 50 0 IGAAHN CS(=O)(=O)Nc1cc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)ccc1Cl ZINC000060238378 556577556 /nfs/dbraw/zinc/57/75/56/556577556.db2.gz PBPHAOGFOPLDLC-SFHVURJKSA-N 0 3 435.977 3.496 50 0 IGAAHN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000016261391 556594917 /nfs/dbraw/zinc/59/49/17/556594917.db2.gz YWDFVJUKUVYHBZ-SFHVURJKSA-N 0 3 436.581 3.118 50 0 IGAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000016259284 556594950 /nfs/dbraw/zinc/59/49/50/556594950.db2.gz NGDMDTQGJGNVRW-FQEVSTJZSA-N 0 3 447.626 3.102 50 0 IGAAHN O=C(CCN1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1)N1CCc2ccccc21 ZINC000072311992 556595354 /nfs/dbraw/zinc/59/53/54/556595354.db2.gz VNRDXTGOLSKTFC-UHFFFAOYSA-N 0 3 437.975 3.475 50 0 IGAAHN O=C(CCCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCN1CCCCCC1 ZINC000032995445 556610785 /nfs/dbraw/zinc/61/07/85/556610785.db2.gz HJIJKCYZODLNOC-UHFFFAOYSA-N 0 3 433.553 3.244 50 0 IGAAHN COc1ccc(N2C[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1Cl ZINC000011865993 556665703 /nfs/dbraw/zinc/66/57/03/556665703.db2.gz AMKPOAFVUUBTBO-GOSISDBHSA-N 0 3 441.959 3.482 50 0 IGAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccco3)[C@@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000136458203 556689634 /nfs/dbraw/zinc/68/96/34/556689634.db2.gz MRJZHFXLXKCAMK-RJGXRXQPSA-N 0 3 445.475 3.167 50 0 IGAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3cc(C)ccc3C)nc1=O)CCC2 ZINC000005254287 556747429 /nfs/dbraw/zinc/74/74/29/556747429.db2.gz WETLPXINGDZZIL-UHFFFAOYSA-N 0 3 428.602 3.421 50 0 IGAAHN CN1CCCN(c2ccc(CNC(=O)Nc3cccc(Oc4ncccn4)c3)cn2)CC1 ZINC000058145842 556761732 /nfs/dbraw/zinc/76/17/32/556761732.db2.gz PKFYVVFTHDKCQJ-UHFFFAOYSA-N 0 3 433.516 3.128 50 0 IGAAHN CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cc(F)cc(F)c3)c(=O)c2C1 ZINC000062007157 556765441 /nfs/dbraw/zinc/76/54/41/556765441.db2.gz RDKAXWZRRGYROD-UHFFFAOYSA-N 0 3 442.441 3.344 50 0 IGAAHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000058198084 556770855 /nfs/dbraw/zinc/77/08/55/556770855.db2.gz URZZORBAVXRMRV-HNNXBMFYSA-N 0 3 441.947 3.395 50 0 IGAAHN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CNC1(c2ccc(Cl)cc2)CCCCC1 ZINC000058209702 556771941 /nfs/dbraw/zinc/77/19/41/556771941.db2.gz VWFCJMUNFUICFC-UHFFFAOYSA-N 0 3 447.988 3.326 50 0 IGAAHN C[C@@H]1CCCCN1CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000033131295 556871623 /nfs/dbraw/zinc/87/16/23/556871623.db2.gz RVNXFNPFPFIAGP-MRXNPFEDSA-N 0 3 427.998 3.119 50 0 IGAAHN CC(C)NC(=O)CCN1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072128946 556899154 /nfs/dbraw/zinc/89/91/54/556899154.db2.gz RDPJDHXGVVVUJJ-HXUWFJFHSA-N 0 3 426.527 3.207 50 0 IGAAHN CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)c1 ZINC000024838051 557172692 /nfs/dbraw/zinc/17/26/92/557172692.db2.gz UMNDOQDSKOUASL-JOCHJYFZSA-N 0 3 447.601 3.115 50 0 IGAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000025181232 557198953 /nfs/dbraw/zinc/19/89/53/557198953.db2.gz RVVGCOHPYXLJEX-UHFFFAOYSA-N 0 3 439.523 3.237 50 0 IGAAHN CCN1CCC[C@@H]1CN/C=C1/c2ccccc2C(=O)N(c2ccc(OC)cc2OC)C1=O ZINC000100903621 557199597 /nfs/dbraw/zinc/19/95/97/557199597.db2.gz JCXABLFQZDFOLD-RRMQHPPMSA-N 0 3 435.524 3.306 50 0 IGAAHN O=C1C[C@H](NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000101163724 557284163 /nfs/dbraw/zinc/28/41/63/557284163.db2.gz SYSHFXMDZYEOCI-KRWDZBQOSA-N 0 3 436.409 3.130 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)CCN2c3ccccc3O[C@H](C)C2=O)N2CCCC2)cc1 ZINC000014069125 557297317 /nfs/dbraw/zinc/29/73/17/557297317.db2.gz QGZXKHFMGBVPQD-XMSQKQJNSA-N 0 3 437.540 3.153 50 0 IGAAHN O=C(CC1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019817627 557522594 /nfs/dbraw/zinc/52/25/94/557522594.db2.gz JQARKEBJEGFQRB-SFHVURJKSA-N 0 3 430.420 3.475 50 0 IGAAHN COc1ccc([C@@H]2[C@H](COC(=O)CCn3cnc4ccccc4c3=O)CCCN2C)cc1 ZINC000106914061 557533673 /nfs/dbraw/zinc/53/36/73/557533673.db2.gz SBROSZQWWFPFKH-YADARESESA-N 0 3 435.524 3.422 50 0 IGAAHN CN1CC[C@H](CNC(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)[C@@H]1c1cccs1 ZINC000108389728 557542773 /nfs/dbraw/zinc/54/27/73/557542773.db2.gz TXYCTSLNNISGRK-DYESRHJHSA-N 0 3 447.564 3.365 50 0 IGAAHN CC(=O)N1c2ccc(S(=O)(=O)N3C[C@H]4CCCN4Cc4ccccc43)cc2C[C@@H]1C ZINC000241124267 557845906 /nfs/dbraw/zinc/84/59/06/557845906.db2.gz JGVCXIXACNVMLQ-OXJNMPFZSA-N 0 3 425.554 3.157 50 0 IGAAHN CN(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)C1CCN(C)CC1 ZINC000003515808 562936347 /nfs/dbraw/zinc/93/63/47/562936347.db2.gz OSTNFGOSBWLFNT-UHFFFAOYSA-N 0 3 435.977 3.331 50 0 IGAAHN CSc1ccc(O[C@H](C)C(=O)N(C)C[C@H](O)CN2CCc3ccccc3CC2)cc1 ZINC000089368819 568921448 /nfs/dbraw/zinc/92/14/48/568921448.db2.gz YYRQHXPDGQQXED-NQIIRXRSSA-N 0 3 428.598 3.096 50 0 IGAAHN CN(CCCNC(=O)CC1CCN(S(=O)(=O)c2cccs2)CC1)Cc1ccccc1 ZINC000065061722 569096849 /nfs/dbraw/zinc/09/68/49/569096849.db2.gz UCIJKEUCOQTAET-UHFFFAOYSA-N 0 3 449.642 3.177 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2cnc3nccnc3c2)CC1 ZINC000065227337 569118176 /nfs/dbraw/zinc/11/81/76/569118176.db2.gz GXZVRTGWCRHVQF-UHFFFAOYSA-N 0 3 430.556 3.022 50 0 IGAAHN COc1ccc(CNC(=O)c2cccnc2N2CCN[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000065255767 569122966 /nfs/dbraw/zinc/12/29/66/569122966.db2.gz MQPZRSUDQBEANS-JOCHJYFZSA-N 0 3 432.524 3.180 50 0 IGAAHN O=C(NCCN1CCc2ccccc2C1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065256033 569123189 /nfs/dbraw/zinc/12/31/89/569123189.db2.gz ZZGDMZPJGAAPRT-RUZDIDTESA-N 0 3 441.579 3.021 50 0 IGAAHN COc1ccc(CNC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)c(OC)c1 ZINC000065256098 569123226 /nfs/dbraw/zinc/12/32/26/569123226.db2.gz BFLOGNYFKVVLLU-QFIPXVFZSA-N 0 3 432.524 3.180 50 0 IGAAHN O=C(c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1)N1CCN(c2ccccc2)CC1 ZINC000065256148 569123230 /nfs/dbraw/zinc/12/32/30/569123230.db2.gz VPPXPGWPOVKLGO-DEOSSOPVSA-N 0 3 427.552 3.195 50 0 IGAAHN CN(C[C@H]1CCCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OC(C)(C)C ZINC000170607398 569144194 /nfs/dbraw/zinc/14/41/94/569144194.db2.gz ZZIMQDVPNYUKQC-LJQANCHMSA-N 0 3 440.629 3.118 50 0 IGAAHN COC(=O)N1CCN(c2ccncc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)CC1 ZINC000253428688 569267678 /nfs/dbraw/zinc/26/76/78/569267678.db2.gz QXDIIWNHUIHFRW-OAHLLOKOSA-N 0 3 432.908 3.338 50 0 IGAAHN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000020416864 569364643 /nfs/dbraw/zinc/36/46/43/569364643.db2.gz NCGGXWDVZCVJIC-UHFFFAOYSA-N 0 3 447.583 3.281 50 0 IGAAHN CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)NC1CCN(CC=C(C)C)CC1 ZINC000095448049 569367477 /nfs/dbraw/zinc/36/74/77/569367477.db2.gz XCQZERKRRZCHPW-UHFFFAOYSA-N 0 3 427.574 3.080 50 0 IGAAHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H](NCCCN1CCCC1=O)c1ccccc1O2 ZINC000095455505 569368558 /nfs/dbraw/zinc/36/85/58/569368558.db2.gz MLIIPJIXOWWSFX-DVECYGJZSA-N 0 3 429.561 3.492 50 0 IGAAHN COc1ccc(CCC(=O)NCCc2ccc(OCCN3CCCC3)cc2)cc1OC ZINC000095460113 569369582 /nfs/dbraw/zinc/36/95/82/569369582.db2.gz GDVNYNJHXPXJRR-UHFFFAOYSA-N 0 3 426.557 3.470 50 0 IGAAHN CN(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1 ZINC000029954467 569439791 /nfs/dbraw/zinc/43/97/91/569439791.db2.gz BJCNFIQCXQSZOV-LPHOPBHVSA-N 0 3 430.346 3.221 50 0 IGAAHN COc1cc(CS(=O)(=O)C(C)C(=O)N[C@H](C)c2ccccc2)ccc1OC(F)F ZINC000040106101 569488322 /nfs/dbraw/zinc/48/83/22/569488322.db2.gz OWLFYDHJLSLZRP-ZIAGYGMSSA-N 0 3 427.469 3.477 50 0 IGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1CN(C)C ZINC000069378853 569503591 /nfs/dbraw/zinc/50/35/91/569503591.db2.gz OFBPTXQVRFJXDF-HXUWFJFHSA-N 0 3 429.948 3.331 50 0 IGAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009402809 569529408 /nfs/dbraw/zinc/52/94/08/569529408.db2.gz NYZMSUPACKYIHW-CTNGQTDRSA-N 0 3 444.626 3.250 50 0 IGAAHN C[C@@H](C(=O)NCCN1CCCC1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 ZINC000009667320 569557783 /nfs/dbraw/zinc/55/77/83/569557783.db2.gz WVYMBFDQWVWNHZ-MHECFPHRSA-N 0 3 430.552 3.324 50 0 IGAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(Cl)cc3)nc1=O)CCC2 ZINC000009745543 569565660 /nfs/dbraw/zinc/56/56/60/569565660.db2.gz UKNLDYUVMSYBGI-UHFFFAOYSA-N 0 3 434.993 3.458 50 0 IGAAHN CN(C)[C@H](CNC(=O)CCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000009766840 569566857 /nfs/dbraw/zinc/56/68/57/569566857.db2.gz LSBMNVWFVATQSO-HSZRJFAPSA-N 0 3 439.581 3.317 50 0 IGAAHN CC(=O)N1CCC[C@H]1C(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000012459734 519553758 /nfs/dbraw/zinc/55/37/58/519553758.db2.gz OQXNZUMSOVREOK-NRFANRHFSA-N 0 3 439.522 3.429 50 0 IGAAHN CCOC(=O)C1CCN(C2CCN(Cc3nc(Cc4cccc(F)c4)no3)CC2)CC1 ZINC000012712149 520574108 /nfs/dbraw/zinc/57/41/08/520574108.db2.gz VDMMKDULPYXMOZ-UHFFFAOYSA-N 0 3 430.524 3.039 50 0 IGAAHN CCOC(=O)N1CCC(NCc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)CC1 ZINC000012446459 520931673 /nfs/dbraw/zinc/93/16/73/520931673.db2.gz LCQZLROKLVZGPX-UHFFFAOYSA-N 0 3 449.555 3.317 50 0 IGAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(OC)ccc2OC)C1=O ZINC000020533458 521653355 /nfs/dbraw/zinc/65/33/55/521653355.db2.gz JCJSSIWTDMPAIY-QFGIDJEJSA-N 0 3 435.524 3.306 50 0 IGAAHN COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000012458585 522442695 /nfs/dbraw/zinc/44/26/95/522442695.db2.gz WMFHMCORGWAOTA-OAQYLSRUSA-N 0 3 428.598 3.263 50 0 IGAAHN COc1ccc(CCN(C)[C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)cc1OC ZINC000012111691 523940378 /nfs/dbraw/zinc/94/03/78/523940378.db2.gz LETRRQBFANTHGI-SFHVURJKSA-N 0 3 436.549 3.171 50 0 IGAAHN COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000020443225 524024335 /nfs/dbraw/zinc/02/43/35/524024335.db2.gz NDTAIRXDIXEDBK-UHFFFAOYSA-N 0 3 432.952 3.497 50 0 IGAAHN C[NH+](C)C1(CNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)CCCCC1 ZINC000012911908 524036785 /nfs/dbraw/zinc/03/67/85/524036785.db2.gz GRWSGNNISLZDSS-UHFFFAOYSA-N 0 3 448.416 3.428 50 0 IGAAHN CCc1ccc([C@H](CNC(=O)CCc2c(C)nc3nc(SC)nn3c2C)N(C)C)cc1 ZINC000012917242 524048845 /nfs/dbraw/zinc/04/88/45/524048845.db2.gz HOGFIWQWDKOAKV-FQEVSTJZSA-N 0 3 440.617 3.377 50 0 IGAAHN CNC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c(C)c2OC)CN1Cc1cccc(Cl)c1 ZINC000020911463 524089891 /nfs/dbraw/zinc/08/98/91/524089891.db2.gz XIDIRVOGBPCQTA-PMACEKPBSA-N 0 3 431.964 3.144 50 0 IGAAHN Cc1ccc(CN2CC[C@@H](CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)cc1 ZINC000021888146 524467725 /nfs/dbraw/zinc/46/77/25/524467725.db2.gz GYPNCEYIVUCFIR-IBGZPJMESA-N 0 3 427.570 3.070 50 0 IGAAHN Cc1cc(C)n(CCC(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000012477721 524515716 /nfs/dbraw/zinc/51/57/16/524515716.db2.gz CYHFQIBFNIRGFI-JOCHJYFZSA-N 0 3 443.611 3.332 50 0 IGAAHN COc1cc(CNCCSc2nnnn2C)cc(Cl)c1OCc1ccccc1F ZINC000009488148 556294426 /nfs/dbraw/zinc/29/44/26/556294426.db2.gz QSPMUGIUDDKZJF-UHFFFAOYSA-N 0 3 437.928 3.472 50 0 IGAAHN O=C(Cc1c(F)cc(F)cc1F)NC[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 ZINC000011790231 556355415 /nfs/dbraw/zinc/35/54/15/556355415.db2.gz BVJOFNXSCCJNEH-GOSISDBHSA-N 0 3 433.474 3.371 50 0 IGAAHN CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1ccc(OCCO)cc1)CC2 ZINC000014532040 556421006 /nfs/dbraw/zinc/42/10/06/556421006.db2.gz QYRFJSNMQPYASX-UHFFFAOYSA-N 0 3 431.577 3.111 50 0 IGAAHN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc(OC)cc1)CC2 ZINC000014748533 556442397 /nfs/dbraw/zinc/44/23/97/556442397.db2.gz CRYXOKSQDKLMQU-UHFFFAOYSA-N 0 3 433.552 3.481 50 0 IGAAHN CCN1CCN(C2(CNC(=O)COc3ccc(Br)cc3)CCCCC2)CC1 ZINC000028403036 556453767 /nfs/dbraw/zinc/45/37/67/556453767.db2.gz COGFHVUFEDKOMH-UHFFFAOYSA-N 0 3 438.410 3.285 50 0 IGAAHN Cc1cc(C)n(CCN2C(=O)c3cccc(N4CCN(C[C@H]5CC=CCC5)CC4)c3C2=O)n1 ZINC000015007665 556482246 /nfs/dbraw/zinc/48/22/46/556482246.db2.gz IMTBQMOZJIGTQQ-NRFANRHFSA-N 0 3 447.583 3.274 50 0 IGAAHN COc1ccc([C@H]2[C@H](COC(=O)CCn3cnc4ccccc4c3=O)CCCN2C)cc1 ZINC000072289687 556484233 /nfs/dbraw/zinc/48/42/33/556484233.db2.gz SBROSZQWWFPFKH-CYFREDJKSA-N 0 3 435.524 3.422 50 0 IGAAHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNC[C@H]([C@H]1CCOC1)N1CCOCC1 ZINC000030666178 556501308 /nfs/dbraw/zinc/50/13/08/556501308.db2.gz CIEOTPQTBMHXQR-NZQKXSOJSA-N 0 3 432.996 3.029 50 0 IGAAHN O=C(Nc1cccc(CNC[C@H]([C@H]2CCOC2)N2CCOCC2)c1)c1ccccc1Cl ZINC000030665874 556501358 /nfs/dbraw/zinc/50/13/58/556501358.db2.gz WXEXKFCMHZJHBU-WMZHIEFXSA-N 0 3 443.975 3.419 50 0 IGAAHN O=C(Nc1cccc(CNC[C@@H]([C@H]2CCOC2)N2CCOCC2)c1)c1ccccc1Cl ZINC000030665871 556501369 /nfs/dbraw/zinc/50/13/69/556501369.db2.gz WXEXKFCMHZJHBU-CVDCTZTESA-N 0 3 443.975 3.419 50 0 IGAAHN CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C\CCN1CCN(C)CC1)c1ccccc1S2 ZINC000030690433 556501987 /nfs/dbraw/zinc/50/19/87/556501987.db2.gz GFBKORZTTCHDGY-UWVJOHFNSA-N 0 3 443.638 3.471 50 0 fda IGAAHN O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NCCCN1CCc2ccccc2C1 ZINC000015679193 556543099 /nfs/dbraw/zinc/54/30/99/556543099.db2.gz AKHGCZQVFODUKO-UHFFFAOYSA-N 0 3 449.507 3.152 50 0 IGAAHN Cc1cc(=O)c(C(=O)N2CCc3c2cccc3CN2CCCC2)nn1-c1ccccc1F ZINC000072306396 556559881 /nfs/dbraw/zinc/55/98/81/556559881.db2.gz UOKMXUBLNPJQDB-UHFFFAOYSA-N 0 3 432.499 3.479 50 0 IGAAHN CCN(CC)CCOC(=O)/C(=C\c1ccc(OC)c(OC)c1)NC(=O)c1ccccc1 ZINC000005100403 556634730 /nfs/dbraw/zinc/63/47/30/556634730.db2.gz IXKNFBRWTXEDGS-CAPFRKAQSA-N 0 3 426.513 3.360 50 0 IGAAHN COc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCCN(C)C)cc2)cc1 ZINC000037555516 556644456 /nfs/dbraw/zinc/64/44/56/556644456.db2.gz GJFQGPLVSDHTNQ-UHFFFAOYSA-N 0 3 435.524 3.356 50 0 IGAAHN COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)c2c1 ZINC000018223027 556687681 /nfs/dbraw/zinc/68/76/81/556687681.db2.gz UTGUYCBOLFTNOE-LJQANCHMSA-N 0 3 442.313 3.403 50 0 IGAAHN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000060359666 556732107 /nfs/dbraw/zinc/73/21/07/556732107.db2.gz KOCIFHMGJPGBLR-LJQANCHMSA-N 0 3 428.602 3.408 50 0 IGAAHN CCN(CC)CC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055061065 556733651 /nfs/dbraw/zinc/73/36/51/556733651.db2.gz CAOBXIRMXXWLML-FQEVSTJZSA-N 0 3 426.527 3.160 50 0 IGAAHN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000019372214 556748832 /nfs/dbraw/zinc/74/88/32/556748832.db2.gz KPJNZJLCFSJFFZ-UHFFFAOYSA-N 0 3 432.952 3.497 50 0 IGAAHN O=C(CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCN1CCCCCC1 ZINC000033062167 556817906 /nfs/dbraw/zinc/81/79/06/556817906.db2.gz QZXVZWMIKCNWCK-UHFFFAOYSA-N 0 3 435.981 3.369 50 0 IGAAHN Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2cc(=O)[n-]c(=O)[nH]2)C2CCCC2)CC1 ZINC000019607641 556831414 /nfs/dbraw/zinc/83/14/14/556831414.db2.gz LDZZJXNVCXZVBW-UHFFFAOYSA-N 0 3 438.572 3.123 50 0 IGAAHN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000019731331 556876723 /nfs/dbraw/zinc/87/67/23/556876723.db2.gz DVPIEXPWFXWCBD-UHFFFAOYSA-N 0 3 437.540 3.228 50 0 IGAAHN CC(=O)N(CCN1CCCCC1)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000004708879 556888735 /nfs/dbraw/zinc/88/87/35/556888735.db2.gz BGLKUPUYHLXRRX-UHFFFAOYSA-N 0 3 425.573 3.494 50 0 IGAAHN COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCN(C)Cc4ccccc4)C3)n2)cc1 ZINC000033249504 556889397 /nfs/dbraw/zinc/88/93/97/556889397.db2.gz RSXBUYYUFDIUSW-NRFANRHFSA-N 0 3 449.555 3.210 50 0 IGAAHN O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)N1CCN(C2CCCCC2)CC1 ZINC000097124296 556991071 /nfs/dbraw/zinc/99/10/71/556991071.db2.gz NPNTUNSULRHAIW-UHFFFAOYSA-N 0 3 436.959 3.194 50 0 IGAAHN COC(=O)c1cn([C@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)nn1 ZINC000097138177 556991591 /nfs/dbraw/zinc/99/15/91/556991591.db2.gz AFAOAPNTATWMIU-NRFANRHFSA-N 0 3 428.496 3.364 50 0 IGAAHN C[C@H](C(=O)NCCN(C)Cc1ccccc1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944851 557027786 /nfs/dbraw/zinc/02/77/86/557027786.db2.gz CEKJLOUPJABVCR-OAHLLOKOSA-N 0 3 432.446 3.225 50 0 IGAAHN CCOc1ccc(N2C(=O)C[C@H](NCCN3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000022943423 557054378 /nfs/dbraw/zinc/05/43/78/557054378.db2.gz DFDPHQXJPPEZEL-DEOSSOPVSA-N 0 3 435.568 3.262 50 0 IGAAHN CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c2)n1 ZINC000048301265 557062656 /nfs/dbraw/zinc/06/26/56/557062656.db2.gz YLJSHGDATJXTKI-HXUWFJFHSA-N 0 3 433.512 3.445 50 0 IGAAHN COCCCN1C(=O)C(CC(=O)Nc2cc(OC)ccc2OC)n2c3ccccc3nc21 ZINC000023411215 557091293 /nfs/dbraw/zinc/09/12/93/557091293.db2.gz ZSJATTMKLHFVCT-LJQANCHMSA-N 0 3 438.484 3.007 50 0 IGAAHN CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)NCc3ccc(C)cc3)c(=O)c2C1 ZINC000049400679 557096131 /nfs/dbraw/zinc/09/61/31/557096131.db2.gz VBFPFBOZSSTIQH-UHFFFAOYSA-N 0 3 434.515 3.052 50 0 IGAAHN Cc1nc2c(c(=O)n1CC(=O)N[C@H](C)CCc1ccccc1)CN(Cc1ccccc1)CC2 ZINC000049400805 557096377 /nfs/dbraw/zinc/09/63/77/557096377.db2.gz WLUAERNNQMKRGE-HXUWFJFHSA-N 0 3 444.579 3.248 50 0 IGAAHN COCCN(C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247828700 557280801 /nfs/dbraw/zinc/28/08/01/557280801.db2.gz KIMGMHWFRLGICQ-REWPJTCUSA-N 0 3 432.511 3.302 50 0 IGAAHN O=C1C[C@H](NC2CCN(c3ncc(Cl)cc3Cl)CC2)C(=O)N1c1ccc(F)cc1 ZINC000101163741 557284188 /nfs/dbraw/zinc/28/41/88/557284188.db2.gz BMSCKVPKDKRVPK-KRWDZBQOSA-N 0 3 437.302 3.418 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 ZINC000097943959 557453744 /nfs/dbraw/zinc/45/37/44/557453744.db2.gz WXSFUHIEUOZJDB-JOCHJYFZSA-N 0 3 435.503 3.083 50 0 IGAAHN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000018347032 557495360 /nfs/dbraw/zinc/49/53/60/557495360.db2.gz RWBAREOGVGYXJS-UHFFFAOYSA-N 0 3 427.854 3.301 50 0 IGAAHN Cc1cc(C)n(-c2cccc(NC(=O)N[C@H]3CCN(Cc4ccccc4)C[C@H]3CO)c2)n1 ZINC000107148816 557534868 /nfs/dbraw/zinc/53/48/68/557534868.db2.gz GDMHGZPAMCLMGT-URXFXBBRSA-N 0 3 433.556 3.494 50 0 IGAAHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000027995952 557639863 /nfs/dbraw/zinc/63/98/63/557639863.db2.gz NUFQYHQYSPFYQI-UHFFFAOYSA-N 0 3 428.190 3.222 50 0 IGAAHN CCCN1CCN(C(=S)Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)CC1 ZINC000015961448 563020541 /nfs/dbraw/zinc/02/05/41/563020541.db2.gz RZCWMDFCFUXRLU-UHFFFAOYSA-N 0 3 440.661 3.410 50 0 IGAAHN CCCN1CCN(CCCNC(=O)c2ccc3nc(N4CCCCC4)sc3c2)CC1 ZINC000020414983 563024662 /nfs/dbraw/zinc/02/46/62/563024662.db2.gz VUYZIMUOMAGNFR-UHFFFAOYSA-N 0 3 429.634 3.434 50 0 IGAAHN COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCN3CCCC3)c2C2CC2)n1 ZINC000299790294 568757775 /nfs/dbraw/zinc/75/77/75/568757775.db2.gz BOURMXSAXWPDJP-UHFFFAOYSA-N 0 3 432.528 3.041 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000032106070 568781298 /nfs/dbraw/zinc/78/12/98/568781298.db2.gz XUPPVXHPISOFNE-FQEVSTJZSA-N 0 3 425.960 3.469 50 0 IGAAHN COC(=O)c1ccccc1Sc1ccc(OCCCN2CCN(CCO)CC2)cc1 ZINC000045068723 568843120 /nfs/dbraw/zinc/84/31/20/568843120.db2.gz HNAQDPXNLUWDBL-UHFFFAOYSA-N 0 3 430.570 3.003 50 0 IGAAHN C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H](CN(C)C)[C@@H](O)c2ccccc2)C[C@H](C)O1 ZINC000229832561 568887163 /nfs/dbraw/zinc/88/71/63/568887163.db2.gz NMXWROZLTYVJFJ-NMNFXAFOSA-N 0 3 440.588 3.333 50 0 IGAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2 ZINC000064611305 568939929 /nfs/dbraw/zinc/93/99/29/568939929.db2.gz JWDSMTWVEXFHGQ-SFHVURJKSA-N 0 3 427.570 3.042 50 0 IGAAHN CC(=O)C1[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000036370346 569088592 /nfs/dbraw/zinc/08/85/92/569088592.db2.gz FFOUXBGFXPURFH-SLYNCCJLSA-N 0 3 444.413 3.349 50 0 IGAAHN CCN1CCN(CCNC(=O)c2ccc(-c3ccc4c(c3)CCN4C(=O)C(C)C)cc2)CC1 ZINC000065026937 569090169 /nfs/dbraw/zinc/09/01/69/569090169.db2.gz NAJBNVNXRXLKPR-UHFFFAOYSA-N 0 3 448.611 3.266 50 0 IGAAHN CCN1CCN(CCNC(=O)c2cccc(-c3cnc(NC4CCCCC4)nc3)c2)CC1 ZINC000065025812 569090781 /nfs/dbraw/zinc/09/07/81/569090781.db2.gz PMIDCTFGTSYUPB-UHFFFAOYSA-N 0 3 436.604 3.256 50 0 IGAAHN CN(CCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)Cc1ccccc1 ZINC000036717827 569136899 /nfs/dbraw/zinc/13/68/99/569136899.db2.gz MKMOOTKEMKOKBC-QHCPKHFHSA-N 0 3 431.536 3.485 50 0 IGAAHN COCCN(C[C@@H]1CN(Cc2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1)C(C)=O ZINC000037276317 569145275 /nfs/dbraw/zinc/14/52/75/569145275.db2.gz UUXWJLWDEHYVND-WIOPSUGQSA-N 0 3 426.557 3.414 50 0 IGAAHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CCCNC(=O)c1ccsc1 ZINC000089977221 569169467 /nfs/dbraw/zinc/16/94/67/569169467.db2.gz XZHHZAGLYHFFLS-HXUWFJFHSA-N 0 3 429.586 3.477 50 0 IGAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000002102541 569179887 /nfs/dbraw/zinc/17/98/87/569179887.db2.gz MWPMSHAXOHRZSG-VGUVQKNXSA-N 0 3 439.596 3.341 50 0 IGAAHN COCCN(C[C@H]1CN(Cc2ccc(F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000037524392 569198513 /nfs/dbraw/zinc/19/85/13/569198513.db2.gz KIMGMHWFRLGICQ-NFBKMPQASA-N 0 3 432.511 3.302 50 0 IGAAHN COc1cccc(CC(=O)N2CCC3(CC2)C[C@@H](N2CCN(CC(C)C)CC2)CCO3)c1 ZINC000581819743 569211607 /nfs/dbraw/zinc/21/16/07/569211607.db2.gz HAUVUOWHCWWRJH-QHCPKHFHSA-N 0 3 443.632 3.052 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000253394045 569264384 /nfs/dbraw/zinc/26/43/84/569264384.db2.gz XRIBIFLLYHAMCH-LNLFQRSKSA-N 0 3 442.025 3.025 50 0 IGAAHN COc1ccc(/C=C2\Sc3ccc(C(=O)NCCN(C)C)cc3N(C)C2=O)cc1OC ZINC000020180194 569354994 /nfs/dbraw/zinc/35/49/94/569354994.db2.gz UUMPPPCTCFPOPE-BKUYFWCQSA-N 0 3 441.553 3.105 50 0 IGAAHN CCOC(=O)C1C(CN(C)Cc2ccccc2)=NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283606 569358970 /nfs/dbraw/zinc/35/89/70/569358970.db2.gz AVSYVQZNLGJJJY-OAQYLSRUSA-N 0 3 439.512 3.007 50 0 IGAAHN O=C(c1nc(C2CC2)n2ccccc12)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000095459459 569369460 /nfs/dbraw/zinc/36/94/60/569369460.db2.gz WUBJVUAAJKUNFV-FQEVSTJZSA-N 0 3 444.583 3.281 50 0 IGAAHN CN1CC[C@H](CNC(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)[C@H]1c1cccs1 ZINC000095945810 569375926 /nfs/dbraw/zinc/37/59/26/569375926.db2.gz TXYCTSLNNISGRK-UTKZUKDTSA-N 0 3 447.564 3.365 50 0 IGAAHN c1ccc(CN2CCN(c3ccnc(N4CCN(Cc5ccccc5)CC4)n3)CC2)cc1 ZINC000096286666 569390195 /nfs/dbraw/zinc/39/01/95/569390195.db2.gz JLSZTAWUYCPTMX-UHFFFAOYSA-N 0 3 428.584 3.121 50 0 IGAAHN CCc1nc2cc(N3CCC(C(=O)NCCN4CCCC[C@@H]4C)CC3)cnc2nc1CC ZINC000096387434 569398984 /nfs/dbraw/zinc/39/89/84/569398984.db2.gz QCSYXVFFEUXMNP-SFHVURJKSA-N 0 3 438.620 3.357 50 0 IGAAHN COc1cc(CS(=O)(=O)C(C)C(=O)N(C)Cc2ccccc2)ccc1OC(F)F ZINC000040106108 569488344 /nfs/dbraw/zinc/48/83/44/569488344.db2.gz PKALTLDDLLDSAF-AWEZNQCLSA-N 0 3 427.469 3.259 50 0 IGAAHN O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)NCCN(Cc1ccco1)C1CCCC1 ZINC000009211338 569511747 /nfs/dbraw/zinc/51/17/47/569511747.db2.gz PODGPQHOWXLFJC-UHFFFAOYSA-N 0 3 433.512 3.032 50 0 IGAAHN CCOc1ccc(NC(=O)CSc2nc(=O)n(CCN(CC)CC)c3c2CCC3)cc1 ZINC000009745491 569565665 /nfs/dbraw/zinc/56/56/65/569565665.db2.gz VPUQROKTAMULSG-UHFFFAOYSA-N 0 3 444.601 3.203 50 0 IGAAHN CCc1ccc([C@H](NCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C(C)C)cc1 ZINC000009951361 569574435 /nfs/dbraw/zinc/57/44/35/569574435.db2.gz YGARXTAUFDBDTL-HSZRJFAPSA-N 0 3 447.601 3.433 50 0 IGAAHN CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccccc3CN3CCCCC3)ccc21 ZINC000010282251 132335486 /nfs/dbraw/zinc/33/54/86/132335486.db2.gz BZCHZYGCKUZWIX-UHFFFAOYSA-N 0 3 441.597 3.315 50 0 IGAAHN O=C1CC[C@@H](N2CCN(c3ccccn3)CC2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000011787577 132339878 /nfs/dbraw/zinc/33/98/78/132339878.db2.gz DYVUQEFMUCXGLI-GOSISDBHSA-N 0 3 442.947 3.167 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)cc2C)CC1 ZINC000012528324 521698440 /nfs/dbraw/zinc/69/84/40/521698440.db2.gz AXAYHROTYIQVMU-UHFFFAOYSA-N 0 3 429.586 3.248 50 0 IGAAHN COC(=O)c1ccc(CN2CCC([C@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1 ZINC000012099327 522007540 /nfs/dbraw/zinc/00/75/40/522007540.db2.gz KBJILLMFKZGJKD-QHCPKHFHSA-N 0 3 441.553 3.257 50 0 IGAAHN COc1cc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)cc(OC)c1OC ZINC000020780820 522381679 /nfs/dbraw/zinc/38/16/79/522381679.db2.gz LNKMJBYMYOIGDV-QFIPXVFZSA-N 0 3 428.573 3.214 50 0 IGAAHN C[C@H](CCn1cccn1)NCc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21 ZINC000012313788 524266661 /nfs/dbraw/zinc/26/66/61/524266661.db2.gz SMYRWXBUZVPMHD-GOSISDBHSA-N 0 3 436.585 3.475 50 0 IGAAHN COc1ccc([C@H](CC(=O)NCCN2CCCC2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530568 525343760 /nfs/dbraw/zinc/34/37/60/525343760.db2.gz XVGMLAPRGAGVPT-NRFANRHFSA-N 0 3 437.540 3.003 50 0 IGAAHN COc1cccc(CNCCSc2nnnn2C)c1OCc1ccc(F)cc1Cl ZINC000020876227 526016981 /nfs/dbraw/zinc/01/69/81/526016981.db2.gz JODAABOQXFBFDN-UHFFFAOYSA-N 0 3 437.928 3.472 50 0 IGAAHN Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cc(F)ccc2F)C4)cn1 ZINC000020598232 527240511 /nfs/dbraw/zinc/24/05/11/527240511.db2.gz OHUXHHQVMOYVEG-MRXNPFEDSA-N 0 3 441.507 3.165 50 0 IGAAHN O=C(NCCCO)c1cn(C2CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)nn1 ZINC000012150708 527679724 /nfs/dbraw/zinc/67/97/24/527679724.db2.gz BNGDQDMVXJBREP-UHFFFAOYSA-N 0 3 443.935 3.141 50 0 IGAAHN O=C(NCCCO)c1cn(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)nn1 ZINC000012456856 527679905 /nfs/dbraw/zinc/67/99/05/527679905.db2.gz OGTQEESYOKIXHN-UHFFFAOYSA-N 0 3 435.528 3.020 50 0 IGAAHN COCCN(C[C@H]1CN(Cc2cc(C)c(C)o2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000034740532 555883692 /nfs/dbraw/zinc/88/36/92/555883692.db2.gz RTXOTWVFTCYHRU-OFNKIYASSA-N 0 3 432.536 3.373 50 0 IGAAHN CCN(CC)CCOC(=O)c1ccc2nc(NC(=O)c3nn(C)cc3Cl)sc2c1 ZINC000003766581 555946087 /nfs/dbraw/zinc/94/60/87/555946087.db2.gz BYOSPRMOCVVKPP-UHFFFAOYSA-N 0 3 435.937 3.434 50 0 IGAAHN COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(CCC(C)C)CC3)o1 ZINC000011882123 556373590 /nfs/dbraw/zinc/37/35/90/556373590.db2.gz XFHRXNGFXJDDEG-LJQANCHMSA-N 0 3 431.581 3.439 50 0 IGAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000014200467 556390844 /nfs/dbraw/zinc/39/08/44/556390844.db2.gz OUWFJHWHXGUEEO-QHCPKHFHSA-N 0 3 441.597 3.428 50 0 IGAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@H](C)Cc2ccc(O)cc2)CC1 ZINC000012048984 556391894 /nfs/dbraw/zinc/39/18/94/556391894.db2.gz MOGSMPBLUQFXOM-GOSISDBHSA-N 0 3 442.556 3.251 50 0 IGAAHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@H](C)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000013040723 556446527 /nfs/dbraw/zinc/44/65/27/556446527.db2.gz XNLGSYPJPFDWTP-HXUWFJFHSA-N 0 3 443.613 3.302 50 0 IGAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(CC[C@@H](C)c2ccccc2)CC3)cc1 ZINC000014952226 556460839 /nfs/dbraw/zinc/46/08/39/556460839.db2.gz JOUUTJAPTLROPK-HXUWFJFHSA-N 0 3 447.583 3.311 50 0 IGAAHN COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)c(C)c1C ZINC000014990534 556474752 /nfs/dbraw/zinc/47/47/52/556474752.db2.gz UFTKNLWOFRVHNH-UHFFFAOYSA-N 0 3 447.583 3.243 50 0 IGAAHN CCN1CCN(C[C@H](O)COc2cccc(CNCc3cccc(SC)c3)c2)CC1 ZINC000019222188 556716199 /nfs/dbraw/zinc/71/61/99/556716199.db2.gz XGFYAHZWPSXZLV-QFIPXVFZSA-N 0 3 429.630 3.076 50 0 IGAAHN C[C@H]1CCCCN1CCNC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033062173 556817842 /nfs/dbraw/zinc/81/78/42/556817842.db2.gz JKPYUJKQNDWLBE-AWEZNQCLSA-N 0 3 435.981 3.367 50 0 IGAAHN Cc1ccc(C)c(CN2CCC(CNS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)c1 ZINC000033077199 556854280 /nfs/dbraw/zinc/85/42/80/556854280.db2.gz LVPDDCRGYRYZTF-UHFFFAOYSA-N 0 3 439.581 3.335 50 0 IGAAHN CCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2C)ccc1N1CC[NH2+]CC1 ZINC000033121198 556862833 /nfs/dbraw/zinc/86/28/33/556862833.db2.gz HRXJXIBLSIRSOQ-UHFFFAOYSA-N 0 3 444.601 3.078 50 0 IGAAHN Cc1c(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019838685 556928697 /nfs/dbraw/zinc/92/86/97/556928697.db2.gz ARPPWFFZPZVPDS-RUZDIDTESA-N 0 3 445.611 3.271 50 0 IGAAHN CSc1cccc(CNCc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)c1 ZINC000019939505 556953363 /nfs/dbraw/zinc/95/33/63/556953363.db2.gz WZZUKQHMQQEYER-UHFFFAOYSA-N 0 3 429.615 3.185 50 0 IGAAHN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000048312339 557066967 /nfs/dbraw/zinc/06/69/67/557066967.db2.gz ARVIXCXXBMVDRL-INIZCTEOSA-N 0 3 427.854 3.301 50 0 IGAAHN CN1CCN(CCCNC(=O)Nc2nnc(-c3ccccn3)s2)[C@H](c2ccccc2)C1 ZINC000048331827 557069411 /nfs/dbraw/zinc/06/94/11/557069411.db2.gz UPOSREFLCRQERC-IBGZPJMESA-N 0 3 437.573 3.100 50 0 IGAAHN COc1ccc(C)cc1NC(=O)CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382265 557089466 /nfs/dbraw/zinc/08/94/66/557089466.db2.gz OUUWFYOGVSUKFK-JXFKEZNVSA-N 0 3 434.496 3.449 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000024839353 557172989 /nfs/dbraw/zinc/17/29/89/557172989.db2.gz JCMYUDIMSMXQJY-UHFFFAOYSA-N 0 3 427.467 3.178 50 0 IGAAHN COc1cccc([C@@H](CNC(=O)CN2C(=O)CSc3ccccc32)N2CCCC2)c1 ZINC000027341387 557260623 /nfs/dbraw/zinc/26/06/23/557260623.db2.gz XLJCIXLYSDNFBE-HXUWFJFHSA-N 0 3 425.554 3.087 50 0 IGAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccco3)[C@@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000100722339 557271333 /nfs/dbraw/zinc/27/13/33/557271333.db2.gz MRJZHFXLXKCAMK-YTFSRNRJSA-N 0 3 445.475 3.167 50 0 IGAAHN COc1cccc(N2CCN(Cc3coc([O-])c(C[NH+]4CCCCCC4)c3=O)CC2)c1 ZINC000101371465 557278754 /nfs/dbraw/zinc/27/87/54/557278754.db2.gz BPFXCBKFXZSZNQ-UHFFFAOYSA-N 0 3 427.545 3.052 50 0 IGAAHN COc1ccc([C@H](CNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)N2CCCC2)cc1 ZINC000014094497 557302381 /nfs/dbraw/zinc/30/23/81/557302381.db2.gz UJTOLDIRQINYOQ-IBGZPJMESA-N 0 3 440.569 3.037 50 0 IGAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)c4ccc5ccccc5n4)CC3)C2)CC1 ZINC000575316539 557462873 /nfs/dbraw/zinc/46/28/73/557462873.db2.gz AIEPSNQNKFODOW-JOCHJYFZSA-N 0 3 436.600 3.415 50 0 IGAAHN CCOc1c(Br)cc(Br)cc1CNCCCN1CCOCC1 ZINC000016688068 557475180 /nfs/dbraw/zinc/47/51/80/557475180.db2.gz AAJLQNJMBBAZEF-UHFFFAOYSA-N 0 3 436.188 3.422 50 0 IGAAHN CCN1CCC(NC(=O)COC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)CC1 ZINC000012043365 557525363 /nfs/dbraw/zinc/52/53/63/557525363.db2.gz SYDDNMLIKJCZCM-UHFFFAOYSA-N 0 3 426.941 3.141 50 0 IGAAHN O=C(CN1CCCC1=O)Nc1cccc(OC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000225511073 557732597 /nfs/dbraw/zinc/73/25/97/557732597.db2.gz POJDPPMWHUCLOH-UHFFFAOYSA-N 0 3 435.524 3.453 50 0 IGAAHN O=C(CCN1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1)N1CCOCC1 ZINC000225844771 557784439 /nfs/dbraw/zinc/78/44/39/557784439.db2.gz IOUCFRLTBKMWJB-UHFFFAOYSA-N 0 3 443.975 3.290 50 0 IGAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(C)c(F)c3)nc1=O)CCC2 ZINC000009745682 562976505 /nfs/dbraw/zinc/97/65/05/562976505.db2.gz ZZZUPHYKTUZERR-UHFFFAOYSA-N 0 3 432.565 3.252 50 0 IGAAHN CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cnc(N(C)C)s3)CC2)[C@H]1OC ZINC000055326531 563142597 /nfs/dbraw/zinc/14/25/97/563142597.db2.gz ADYQTLQULUNEHC-RTWAWAEBSA-N 0 3 428.602 3.339 50 0 IGAAHN O[C@H](COC[C@H]1CCCO1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000005938964 568738610 /nfs/dbraw/zinc/73/86/10/568738610.db2.gz AWGLHAUAFJZOQS-LOSJGSFVSA-N 0 3 425.569 3.191 50 0 IGAAHN CCN1CCN(C(=O)c2ccc(N3CCC(N4CCOc5ccccc5C4)CC3)cc2)CC1 ZINC000299799840 568757903 /nfs/dbraw/zinc/75/79/03/568757903.db2.gz UFWPAGMIBRFVKY-UHFFFAOYSA-N 0 3 448.611 3.328 50 0 IGAAHN CN1CCC(N2CCN(Cc3cnc(-c4cccc5ccccc54)nc3)C[C@H]2CCO)CC1 ZINC000104527858 568837370 /nfs/dbraw/zinc/83/73/70/568837370.db2.gz JKZOAGYQXHGKNK-XMMPIXPASA-N 0 3 445.611 3.260 50 0 IGAAHN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23c2cccc(C)c2NC3=O)cc1 ZINC000016026875 568864670 /nfs/dbraw/zinc/86/46/70/568864670.db2.gz QMRDWBOJBXXNFN-KNOQFWTLSA-N 0 3 433.508 3.442 50 0 IGAAHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000229369993 568886648 /nfs/dbraw/zinc/88/66/48/568886648.db2.gz ISFVIRXBOPZVPM-FPOVZHCZSA-N 0 3 436.556 3.099 50 0 IGAAHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)C1 ZINC000241371270 568912123 /nfs/dbraw/zinc/91/21/23/568912123.db2.gz MLYMOVNUUHOSHB-QCKQGSCRSA-N 0 3 440.588 3.075 50 0 IGAAHN Cc1cccc(-c2noc(N3CCOCC3)c2CN(CCN(C)C)C(=O)c2ccco2)c1 ZINC000036314322 568998336 /nfs/dbraw/zinc/99/83/36/568998336.db2.gz BYUKIAYJUZWXEZ-UHFFFAOYSA-N 0 3 438.528 3.284 50 0 IGAAHN CCN1CCN(CCNC(=O)c2ccc(-c3ccc(NCc4ccccc4)nn3)cc2)CC1 ZINC000064989275 569083066 /nfs/dbraw/zinc/08/30/66/569083066.db2.gz DVCCIFAAMKIMPM-UHFFFAOYSA-N 0 3 444.583 3.123 50 0 IGAAHN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCN(CC)CC4)cc3)ccc21 ZINC000065026881 569089972 /nfs/dbraw/zinc/08/99/72/569089972.db2.gz LMJGAEBLRLYIDH-UHFFFAOYSA-N 0 3 434.584 3.020 50 0 IGAAHN CCN1CCN(CCNC(=O)c2ccc(-c3noc(-c4ccc(C)cc4)n3)s2)CC1 ZINC000065062961 569097685 /nfs/dbraw/zinc/09/76/85/569097685.db2.gz PUSGLCMUADBJOP-UHFFFAOYSA-N 0 3 425.558 3.141 50 0 IGAAHN O=C(c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065256155 569123142 /nfs/dbraw/zinc/12/31/42/569123142.db2.gz WFQSGOQRVGNJOB-XMMPIXPASA-N 0 3 445.542 3.334 50 0 IGAAHN CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@H](CC)CN1CC(C)(C)O ZINC000252587311 569191583 /nfs/dbraw/zinc/19/15/83/569191583.db2.gz XJLVBEJGGDSBOL-KSEOMHKRSA-N 0 3 447.595 3.150 50 0 IGAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007686714 569197394 /nfs/dbraw/zinc/19/73/94/569197394.db2.gz SSRBMVWQBHRMMZ-QFIPXVFZSA-N 0 3 427.570 3.038 50 0 IGAAHN Cc1c(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCc2ccccc2)cnn1C ZINC000014740864 569310586 /nfs/dbraw/zinc/31/05/86/569310586.db2.gz BLHIOCPGQMDMAW-UHFFFAOYSA-N 0 3 437.588 3.226 50 0 IGAAHN Cc1cc(C)n(-c2cccc(NC(=O)N[C@H]3CCN(Cc4ccccc4)C[C@@H]3CO)c2)n1 ZINC000078975261 569321089 /nfs/dbraw/zinc/32/10/89/569321089.db2.gz GDMHGZPAMCLMGT-QPPBQGQZSA-N 0 3 433.556 3.494 50 0 IGAAHN Cc1ccc2oc(=O)c3cnn(CC(=O)NCCCN4CCc5ccccc5C4)c3c2c1 ZINC000020321891 569360256 /nfs/dbraw/zinc/36/02/56/569360256.db2.gz UCHPJXPUMZZORS-UHFFFAOYSA-N 0 3 430.508 3.016 50 0 IGAAHN O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NC1CCN(Cc2ccccc2)CC1 ZINC000020416545 569364628 /nfs/dbraw/zinc/36/46/28/569364628.db2.gz QUFNLZQPRXTWLH-UHFFFAOYSA-N 0 3 443.551 3.439 50 0 IGAAHN CN1CC[C@@H](CNC(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)[C@H]1c1cccs1 ZINC000095945809 569375954 /nfs/dbraw/zinc/37/59/54/569375954.db2.gz TXYCTSLNNISGRK-UWJYYQICSA-N 0 3 447.564 3.365 50 0 IGAAHN CSc1nc2nc(C)c(CC(=O)NCc3ccccc3CN3CCCCC3)c(C)n2n1 ZINC000028085567 569407281 /nfs/dbraw/zinc/40/72/81/569407281.db2.gz QECPWHKLHGBZQP-UHFFFAOYSA-N 0 3 438.601 3.308 50 0 IGAAHN O=C(Cc1ccccc1)Nc1nc(CC(=O)N2CCN(C3CCCCC3)CC2)cs1 ZINC000038575673 569464104 /nfs/dbraw/zinc/46/41/04/569464104.db2.gz KURXARKMEUUMHU-UHFFFAOYSA-N 0 3 426.586 3.344 50 0 IGAAHN O=C(Nc1ccc(Br)cn1)C1CCN(CCn2c(=O)oc3ccccc32)CC1 ZINC000040149607 569492546 /nfs/dbraw/zinc/49/25/46/569492546.db2.gz MCROZPRAEFETGB-UHFFFAOYSA-N 0 3 445.317 3.103 50 0 IGAAHN CN1CCN(CCc2ccc(NC(=O)c3ccc(I)cc3)cc2)CC1 ZINC000040157062 569494218 /nfs/dbraw/zinc/49/42/18/569494218.db2.gz ZFQAJRCKTPEPAA-UHFFFAOYSA-N 0 3 449.336 3.333 50 0 IGAAHN O=C(NCCN1CCCC1)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000009117256 569503126 /nfs/dbraw/zinc/50/31/26/569503126.db2.gz PJDHTOBEDGWJBM-UHFFFAOYSA-N 0 3 442.564 3.025 50 0 IGAAHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C ZINC000009336975 569523520 /nfs/dbraw/zinc/52/35/20/569523520.db2.gz RYKPIWWNADOQPI-NRFANRHFSA-N 0 3 437.537 3.010 50 0 IGAAHN CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)cc2O1 ZINC000009340153 569523858 /nfs/dbraw/zinc/52/38/58/569523858.db2.gz GAXKOHNZOWXEGQ-UHFFFAOYSA-N 0 3 438.524 3.296 50 0 IGAAHN COc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3ccco3)CC2)N2CCCC2)cc1 ZINC000009481899 569539471 /nfs/dbraw/zinc/53/94/71/569539471.db2.gz KWYLCFNCGAQEFL-NRFANRHFSA-N 0 3 425.529 3.094 50 0 IGAAHN CCCOc1c(Br)cc(CNCCCSc2nnnn2C)cc1OC ZINC000040744610 520289401 /nfs/dbraw/zinc/28/94/01/520289401.db2.gz RSVKNJPKWKMNPP-UHFFFAOYSA-N 0 3 430.372 3.042 50 0 IGAAHN COC(=O)c1ccc(CN2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)cc1 ZINC000014957804 522006741 /nfs/dbraw/zinc/00/67/41/522006741.db2.gz ZMKMQPACOIFTHD-IBGZPJMESA-N 0 3 430.574 3.252 50 0 IGAAHN CC[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000035373764 522168912 /nfs/dbraw/zinc/16/89/12/522168912.db2.gz HCPFSKOEALNSGL-HSZRJFAPSA-N 0 3 445.567 3.460 50 0 IGAAHN COc1cc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc(OC)c1OC ZINC000012112308 522378981 /nfs/dbraw/zinc/37/89/81/522378981.db2.gz VYNORNWFEXOOBM-LJQANCHMSA-N 0 3 447.620 3.257 50 0 IGAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@H](C)CCC=C(C)C)CC3)cc1 ZINC000012332791 523704926 /nfs/dbraw/zinc/70/49/26/523704926.db2.gz MQWPBZJDPUUZSM-HXUWFJFHSA-N 0 3 439.604 3.500 50 0 IGAAHN COc1ccc(CNc2nc(N3CCN(C4CCCCC4)CC3)nc3c2cnn3C)cc1 ZINC000021929399 524105891 /nfs/dbraw/zinc/10/58/91/524105891.db2.gz AXEKEQUIBCVUHA-UHFFFAOYSA-N 0 3 435.576 3.439 50 0 IGAAHN COc1ccc([C@H](CNC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)N2CCCC2)cc1 ZINC000012926832 525357596 /nfs/dbraw/zinc/35/75/96/525357596.db2.gz YTTNYDZGCGUIAC-SFHVURJKSA-N 0 3 440.569 3.106 50 0 IGAAHN Cc1ccc(C(=O)N2CCC(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)cn1 ZINC000012596966 526082023 /nfs/dbraw/zinc/08/20/23/526082023.db2.gz KUAATFDHXUSMAH-XMMPIXPASA-N 0 3 434.584 3.413 50 0 IGAAHN O=C([C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1)N1CCN(C2CCCCC2)CC1 ZINC000020942621 526470319 /nfs/dbraw/zinc/47/03/19/526470319.db2.gz NUHXTCFPCLMUMH-GOSISDBHSA-N 0 3 428.606 3.022 50 0 IGAAHN O=C(c1ccc(N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1)N1CCC[C@H](O)C1 ZINC000012451577 526696870 /nfs/dbraw/zinc/69/68/70/526696870.db2.gz XNRSKCMNSPAAHA-SANMLTNESA-N 0 3 448.611 3.075 50 0 IGAAHN Nc1nonc1C(=O)NCCNCc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040744481 527580047 /nfs/dbraw/zinc/58/00/47/527580047.db2.gz BVNIMEQYULTZAW-UHFFFAOYSA-N 0 3 436.299 3.057 50 0 IGAAHN COc1ccc(N(C[C@@H](O)CN2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000644847 555520138 /nfs/dbraw/zinc/52/01/38/555520138.db2.gz NBXVKVYHBHZJPB-NRFANRHFSA-N 0 3 432.586 3.292 50 0 IGAAHN Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)NCCN3CCCC3)ccc12 ZINC000034835996 555914302 /nfs/dbraw/zinc/91/43/02/555914302.db2.gz DJKOOLGCSUCMQI-UHFFFAOYSA-N 0 3 437.515 3.088 50 0 IGAAHN COc1cccc(-c2cc(C(=O)N(CCC(=O)NC3CCN(C)CC3)CC(C)C)no2)c1 ZINC000034922661 555932978 /nfs/dbraw/zinc/93/29/78/555932978.db2.gz BWKUEPWRQSBEEI-UHFFFAOYSA-N 0 3 442.560 3.049 50 0 IGAAHN Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCOCC3)c(OCCN(C)C)c21 ZINC000013691736 556281354 /nfs/dbraw/zinc/28/13/54/556281354.db2.gz DUMWECFLLVVWDV-UHFFFAOYSA-N 0 3 426.542 3.080 50 0 IGAAHN CC1CCN([C@@H](CNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2cccs2)CC1 ZINC000032736351 556306383 /nfs/dbraw/zinc/30/63/83/556306383.db2.gz RMVWVHKOUNDURC-IBGZPJMESA-N 0 3 440.569 3.003 50 0 IGAAHN CCN1CCC[C@@H](CN(C)Cc2cnc(S(=O)(=O)CC)n2CCCc2ccccc2)C1 ZINC000011819095 556361124 /nfs/dbraw/zinc/36/11/24/556361124.db2.gz QKMAYWSENUDWRE-QFIPXVFZSA-N 0 3 446.661 3.473 50 0 IGAAHN COCC(=O)N[C@H](c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2)C(C)C ZINC000012035973 556389838 /nfs/dbraw/zinc/38/98/38/556389838.db2.gz VZVTYQAJTOVHNS-NRFANRHFSA-N 0 3 427.574 3.011 50 0 IGAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000012048981 556391651 /nfs/dbraw/zinc/39/16/51/556391651.db2.gz MOGSMPBLUQFXOM-SFHVURJKSA-N 0 3 442.556 3.251 50 0 IGAAHN COCCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(Cc1ccccn1)CC2 ZINC000012055662 556393887 /nfs/dbraw/zinc/39/38/87/556393887.db2.gz KJGBEVYABAFUQI-RPWUZVMVSA-N 0 3 437.584 3.474 50 0 IGAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@H](C)Cc1cccnc1)CC2 ZINC000014539522 556424944 /nfs/dbraw/zinc/42/49/44/556424944.db2.gz QAZJODZLPBOBBH-LJQANCHMSA-N 0 3 436.556 3.340 50 0 IGAAHN CCc1ccc(CN2CCC3(CC2)C(=O)N(CCOC)C(=O)N3Cc2ccccc2)o1 ZINC000014733756 556437767 /nfs/dbraw/zinc/43/77/67/556437767.db2.gz KZIAHMQEUXIDNV-UHFFFAOYSA-N 0 3 425.529 3.287 50 0 IGAAHN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014744844 556440404 /nfs/dbraw/zinc/44/04/04/556440404.db2.gz BURWYLBLNUZARP-UHFFFAOYSA-N 0 3 437.540 3.228 50 0 IGAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccc(OC)cc1)CC2 ZINC000014745544 556440749 /nfs/dbraw/zinc/44/07/49/556440749.db2.gz KGGZXXLYKQSOFF-UHFFFAOYSA-N 0 3 436.556 3.342 50 0 IGAAHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](C)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000013040724 556446428 /nfs/dbraw/zinc/44/64/28/556446428.db2.gz XNLGSYPJPFDWTP-FQEVSTJZSA-N 0 3 443.613 3.302 50 0 IGAAHN CCOc1ccc(CN2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)cc1 ZINC000014886175 556455486 /nfs/dbraw/zinc/45/54/86/556455486.db2.gz DOVLLYIZFWEZCO-OAQYLSRUSA-N 0 3 426.561 3.071 50 0 IGAAHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)COc1nn(C)c2nc(C)cc(C)c12 ZINC000072304583 556548758 /nfs/dbraw/zinc/54/87/58/556548758.db2.gz JDLMSXIBCDNZML-OAQYLSRUSA-N 0 3 435.572 3.335 50 0 IGAAHN Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCCN3CCCC[C@@H]3C)s2)cc1 ZINC000032995154 556610175 /nfs/dbraw/zinc/61/01/75/556610175.db2.gz WDURUQWLVPQMKP-KRWDZBQOSA-N 0 3 429.590 3.412 50 0 IGAAHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)CCCc2nnc(-c3ccccc3)o2)C1 ZINC000078720388 556735290 /nfs/dbraw/zinc/73/52/90/556735290.db2.gz SNUBGPLTFNXMPJ-HXUWFJFHSA-N 0 3 447.539 3.395 50 0 IGAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4cccc(OC)c4)c(C)c32)CC1 ZINC000033048416 556744667 /nfs/dbraw/zinc/74/46/67/556744667.db2.gz JUPUDLBJKONFMJ-UHFFFAOYSA-N 0 3 439.585 3.470 50 0 IGAAHN COc1ccc(C)cc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C)cc1)CCN(C)C2 ZINC000062007121 556765158 /nfs/dbraw/zinc/76/51/58/556765158.db2.gz YECFOFBVAHTDIX-UHFFFAOYSA-N 0 3 432.524 3.162 50 0 IGAAHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000058198082 556770831 /nfs/dbraw/zinc/77/08/31/556770831.db2.gz URZZORBAVXRMRV-OAHLLOKOSA-N 0 3 441.947 3.395 50 0 IGAAHN CC[C@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000058935688 556793092 /nfs/dbraw/zinc/79/30/92/556793092.db2.gz JYSIBJSTHSCIDX-CJNGLKHVSA-N 0 3 425.938 3.484 50 0 IGAAHN Cc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)N(C)C)cc1 ZINC000062580304 556835960 /nfs/dbraw/zinc/83/59/60/556835960.db2.gz VZDQBOHRYXJPOK-QHCPKHFHSA-N 0 3 443.613 3.448 50 0 IGAAHN C[C@H]1CCCCN1CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000033131296 556871693 /nfs/dbraw/zinc/87/16/93/556871693.db2.gz RVNXFNPFPFIAGP-INIZCTEOSA-N 0 3 427.998 3.119 50 0 IGAAHN CC[C@@H](CNC(=O)Nc1cccc(Cn2cccnc2=O)c1)N1CCc2ccccc2C1 ZINC000048326459 557068829 /nfs/dbraw/zinc/06/88/29/557068829.db2.gz HMPOTJURKAMZIW-QHCPKHFHSA-N 0 3 431.540 3.250 50 0 IGAAHN CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN(C)Cc3ccccc3)ccc2c1=O ZINC000004791241 557124832 /nfs/dbraw/zinc/12/48/32/557124832.db2.gz QLDVRSAYMOPQHU-UHFFFAOYSA-N 0 3 436.556 3.132 50 0 IGAAHN CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCNCC3)cc2)ncc1Cl ZINC000149270694 557175143 /nfs/dbraw/zinc/17/51/43/557175143.db2.gz FCLOIQHNUARDSR-UHFFFAOYSA-N 0 3 437.935 3.386 50 0 IGAAHN C[C@H]1CCCCN1CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000106309594 557527984 /nfs/dbraw/zinc/52/79/84/557527984.db2.gz ZCTLIGVDZHXLPJ-ICSRJNTNSA-N 0 3 425.552 3.490 50 0 IGAAHN CSc1cccc(CN2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)c1 ZINC000023374461 568613637 /nfs/dbraw/zinc/61/36/37/568613637.db2.gz RIQKUUCVEDMJGM-JWQCQUIFSA-N 0 3 425.642 3.204 50 0 IGAAHN COc1ccc([C@@H](CNCc2c(Cl)cccc2N2CCOCC2)N2CCOCC2)cc1 ZINC000079073478 568650087 /nfs/dbraw/zinc/65/00/87/568650087.db2.gz DSCKTRDTRTUPLL-XMMPIXPASA-N 0 3 445.991 3.348 50 0 IGAAHN COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@@H](N1CCSCC1)C3 ZINC000299767629 568756468 /nfs/dbraw/zinc/75/64/68/568756468.db2.gz IHNCIRVDGUNNNE-MRXNPFEDSA-N 0 3 427.595 3.421 50 0 IGAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1cccc(-n2cccn2)c1 ZINC000299767773 568756480 /nfs/dbraw/zinc/75/64/80/568756480.db2.gz OCGWUHKRXXZOSY-QHCPKHFHSA-N 0 3 431.540 3.211 50 0 IGAAHN CN1CCCN(c2ccc(NC(=O)N(C[C@H]3CCCO3)C[C@H]3CCCO3)cc2F)CC1 ZINC000240555847 568911926 /nfs/dbraw/zinc/91/19/26/568911926.db2.gz GXTUSCPNXXYETN-WOJBJXKFSA-N 0 3 434.556 3.160 50 0 IGAAHN CCCCn1c(N)c(N(C(=O)CN2CC[C@H]3CCCC[C@H]3C2)C2CCCC2)c(=O)[nH]c1=O ZINC000241897369 568912571 /nfs/dbraw/zinc/91/25/71/568912571.db2.gz TYCUCMYWALTASJ-MSOLQXFVSA-N 0 3 445.608 3.119 50 0 IGAAHN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCCN(C)C)CC1 ZINC000065006944 569087504 /nfs/dbraw/zinc/08/75/04/569087504.db2.gz RRFJNULHNAHGRO-HNNXBMFYSA-N 0 3 446.592 3.424 50 0 IGAAHN O=C(CCc1nc2onc(-c3ccccc3)c2c(N2CCCCC2)n1)NCCN1CCCC1 ZINC000065056219 569094864 /nfs/dbraw/zinc/09/48/64/569094864.db2.gz XJHXLAWRBXCZAM-UHFFFAOYSA-N 0 3 448.571 3.420 50 0 IGAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(OC)cc1)CN(Cc1ccccc1)CC2 ZINC000065153530 569112077 /nfs/dbraw/zinc/11/20/77/569112077.db2.gz YJOHXFHDVCIBHD-UHFFFAOYSA-N 0 3 432.524 3.011 50 0 IGAAHN O=C(NCCN1CCCCC1)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065228040 569117651 /nfs/dbraw/zinc/11/76/51/569117651.db2.gz DENCYUZTECPEPL-LJQANCHMSA-N 0 3 438.576 3.218 50 0 IGAAHN CCCCN1C(=O)[C@@](C)(C(=O)NC2CCN(Cc3ccccc3)CC2)Oc2cccnc21 ZINC000065241998 569121879 /nfs/dbraw/zinc/12/18/79/569121879.db2.gz NZONRNXEDAFIAO-RUZDIDTESA-N 0 3 436.556 3.147 50 0 IGAAHN CN(C)CCNC(=O)C1CCN(c2nc3ccc(-c4cccc(F)c4)nc3s2)CC1 ZINC000065272042 569128987 /nfs/dbraw/zinc/12/89/87/569128987.db2.gz MZDKPPQSHRGFJE-UHFFFAOYSA-N 0 3 427.549 3.392 50 0 IGAAHN O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000170614646 569146351 /nfs/dbraw/zinc/14/63/51/569146351.db2.gz ALZOIYVVWPBNLY-VQTJNVASSA-N 0 3 429.446 3.194 50 0 IGAAHN CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1 ZINC000170614543 569146406 /nfs/dbraw/zinc/14/64/06/569146406.db2.gz NONATOUIECKAPG-PMACEKPBSA-N 0 3 433.474 3.315 50 0 IGAAHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CCCNC(=O)c1ccsc1 ZINC000089977222 569169363 /nfs/dbraw/zinc/16/93/63/569169363.db2.gz XZHHZAGLYHFFLS-FQEVSTJZSA-N 0 3 429.586 3.477 50 0 IGAAHN COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(CC(C)C)CC2)CCO3)cc1F ZINC000581819684 569211441 /nfs/dbraw/zinc/21/14/41/569211441.db2.gz BQGBEDOEEUBYJR-NRFANRHFSA-N 0 3 447.595 3.262 50 0 IGAAHN CN(CCNC(=O)NCc1noc(-c2cccc(Br)c2)n1)Cc1ccccc1 ZINC000253425955 569267247 /nfs/dbraw/zinc/26/72/47/569267247.db2.gz WRCCWMVOMPLUKT-UHFFFAOYSA-N 0 3 444.333 3.430 50 0 IGAAHN O=C(c1csc(I)c1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000079105981 569325758 /nfs/dbraw/zinc/32/57/58/569325758.db2.gz SHUPZYSQWAOESY-AWEZNQCLSA-N 0 3 434.343 3.070 50 0 IGAAHN Cc1noc(C)c1CN(C)CCC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000095456845 569368904 /nfs/dbraw/zinc/36/89/04/569368904.db2.gz HZXQWKWFIINKKP-UHFFFAOYSA-N 0 3 425.577 3.284 50 0 IGAAHN CCN(CC)CCSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1 ZINC000096003427 569379186 /nfs/dbraw/zinc/37/91/86/569379186.db2.gz CGSWGUXKKZLVOH-UHFFFAOYSA-N 0 3 448.658 3.022 50 0 IGAAHN COc1ccc2c(C)c(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)oc2c1 ZINC000670434004 569442780 /nfs/dbraw/zinc/44/27/80/569442780.db2.gz PJUBMYNAURVJPC-RMIBCPJUSA-N 0 3 431.536 3.047 50 0 IGAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000008270748 569462494 /nfs/dbraw/zinc/46/24/94/569462494.db2.gz SDXGXYYAUPJWOS-UHFFFAOYSA-N 0 3 427.570 3.142 50 0 IGAAHN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N(C)C2CCN(CC)CC2)c1 ZINC000040051284 569484399 /nfs/dbraw/zinc/48/43/99/569484399.db2.gz DHAXUKODRGRMKW-UHFFFAOYSA-N 0 3 426.652 3.138 50 0 IGAAHN CCc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)N(C)C)cc1 ZINC000040050666 569484211 /nfs/dbraw/zinc/48/42/11/569484211.db2.gz VEDSATRMBAFUBT-QFIPXVFZSA-N 0 3 429.586 3.031 50 0 IGAAHN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NCCN2CCCCCC2)c1 ZINC000040073258 569486104 /nfs/dbraw/zinc/48/61/04/569486104.db2.gz MZSDJCAKMFBOCK-UHFFFAOYSA-N 0 3 426.652 3.188 50 0 IGAAHN CCCn1c2ccccc2c2cnn(CC(=O)NCCN(C)Cc3ccccc3)c(=O)c21 ZINC000009153421 569508111 /nfs/dbraw/zinc/50/81/11/569508111.db2.gz BBRKOHZHWHGJSO-UHFFFAOYSA-N 0 3 431.540 3.009 50 0 IGAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc1=O)CCC2 ZINC000009745567 569565685 /nfs/dbraw/zinc/56/56/85/569565685.db2.gz CPCUTUCSCBRANZ-UHFFFAOYSA-N 0 3 442.585 3.007 50 0 IGAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)Nc2cccc(F)c2)c2c1CCCC2 ZINC000009747148 569565854 /nfs/dbraw/zinc/56/58/54/569565854.db2.gz RRUBWNOSPCDSFA-UHFFFAOYSA-N 0 3 432.565 3.334 50 0 IGAAHN COc1ccc(CNC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010333986 569580993 /nfs/dbraw/zinc/58/09/93/569580993.db2.gz YKZBGPUHKDYTKF-XMMPIXPASA-N 0 3 431.536 3.418 50 0 IGAAHN CCCN1CCN(CCCNC(=O)c2ccc3cnn(Cc4cccc(OC)c4)c3c2)CC1 ZINC000035560001 519857919 /nfs/dbraw/zinc/85/79/19/519857919.db2.gz BGJCVMVERARYRQ-UHFFFAOYSA-N 0 3 449.599 3.241 50 0 IGAAHN CCOc1cc(CNCCCSc2nnnn2C)cc(Br)c1OCC ZINC000022109382 520714665 /nfs/dbraw/zinc/71/46/65/520714665.db2.gz NJVGWNYVGAKGCT-UHFFFAOYSA-N 0 3 430.372 3.042 50 0 IGAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cccc(-n4nc(C)cc4C)c3)C2)CC1 ZINC000020455886 520960013 /nfs/dbraw/zinc/96/00/13/520960013.db2.gz XWJCSOSIORSQHH-HSZRJFAPSA-N 0 3 425.577 3.228 50 0 IGAAHN CCc1nccn1CCC(=O)N1CC[C@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2 ZINC000012442593 522582837 /nfs/dbraw/zinc/58/28/37/522582837.db2.gz HZIFJVACRVWGST-XMMPIXPASA-N 0 3 428.552 3.498 50 0 IGAAHN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCN3CCCCCC3)CC2)c2ccccc2O1 ZINC000020489454 523228725 /nfs/dbraw/zinc/22/87/25/523228725.db2.gz UEAODNAMASRAPZ-NRFANRHFSA-N 0 3 442.604 3.488 50 0 IGAAHN CC[C@@H]1CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)Cc2cc(OC)ccc2O1 ZINC000012182169 523435228 /nfs/dbraw/zinc/43/52/28/523435228.db2.gz DPPZEJOJPGVENC-HSZRJFAPSA-N 0 3 437.584 3.449 50 0 IGAAHN COc1ccc(CCN(C)[C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)cc1OC ZINC000012111690 523940321 /nfs/dbraw/zinc/94/03/21/523940321.db2.gz LETRRQBFANTHGI-GOSISDBHSA-N 0 3 436.549 3.171 50 0 IGAAHN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCN(CCC(N)=O)CC1 ZINC000020599567 525012532 /nfs/dbraw/zinc/01/25/32/525012532.db2.gz LXJCGZISGNSHLL-UHFFFAOYSA-N 0 3 439.510 3.119 50 0 IGAAHN Cc1cc(NC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)ccc1N1CCN(C)CC1 ZINC000012823458 525204804 /nfs/dbraw/zinc/20/48/04/525204804.db2.gz RRHPGNLQUZOWRW-UHFFFAOYSA-N 0 3 436.604 3.451 50 0 IGAAHN C[C@H]1CCCCN1CCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000035398027 526250986 /nfs/dbraw/zinc/25/09/86/526250986.db2.gz ZCTLIGVDZHXLPJ-AZUAARDMSA-N 0 3 425.552 3.490 50 0 IGAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021860350 526251097 /nfs/dbraw/zinc/25/10/97/526251097.db2.gz HHQSYSXBHQMACU-IBGZPJMESA-N 0 3 443.551 3.302 50 0 IGAAHN O=C(CCC1CCN(C(=O)C(=O)c2ccccc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012458984 526407977 /nfs/dbraw/zinc/40/79/77/526407977.db2.gz VYLAOMUHYKVGOE-DEOSSOPVSA-N 0 3 447.579 3.279 50 0 IGAAHN O=C(CCC1CCN(C(=O)c2cscn2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012202637 526408082 /nfs/dbraw/zinc/40/80/82/526408082.db2.gz DYYKJQWOZXDYEK-FQEVSTJZSA-N 0 3 426.586 3.166 50 0 IGAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000021793655 526963974 /nfs/dbraw/zinc/96/39/74/526963974.db2.gz DCTLZFMKAATLRI-UHFFFAOYSA-N 0 3 430.350 3.110 50 0 IGAAHN O=C(NCCCN1CCc2ccccc2C1)c1cccn1-c1nnc(N2CCCC2)s1 ZINC000021535257 527674206 /nfs/dbraw/zinc/67/42/06/527674206.db2.gz KRDLSLKNZZKRQY-UHFFFAOYSA-N 0 3 436.585 3.107 50 0 IGAAHN O[C@@H](CNCCNc1nccc(C(F)(F)F)n1)COc1ccc(Cl)c(Cl)c1 ZINC000003467469 555935933 /nfs/dbraw/zinc/93/59/33/555935933.db2.gz SINZMKKOALSSSA-JTQLQIEISA-N 0 3 425.238 3.244 50 0 IGAAHN O=C(c1cccc(Cl)c1)N1CCC(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000009906764 556316042 /nfs/dbraw/zinc/31/60/42/556316042.db2.gz CLPRLNIDUQTVOX-LJQANCHMSA-N 0 3 429.879 3.005 50 0 IGAAHN COc1ccc([C@@H](CNCc2cc(=O)oc3cc4c(cc23)CCC4)N2CCOCC2)cc1 ZINC000022920893 556340252 /nfs/dbraw/zinc/34/02/52/556340252.db2.gz CRCNVMYREOJUIC-XMMPIXPASA-N 0 3 434.536 3.453 50 0 IGAAHN COc1cccc(-n2c(CNC(=O)c3ccc(C)s3)nnc2SCCN(C)C)c1 ZINC000011790837 556355779 /nfs/dbraw/zinc/35/57/79/556355779.db2.gz JGUGMGWLMYLTLG-UHFFFAOYSA-N 0 3 431.587 3.230 50 0 IGAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C/C(C)=C/c1ccccc1)CC2 ZINC000014532517 556421225 /nfs/dbraw/zinc/42/12/25/556421225.db2.gz BLTAKZHCLZKQJF-HEHNFIMWSA-N 0 3 448.567 3.430 50 0 IGAAHN CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cccn1-c1ccccn1)CC2 ZINC000014535683 556423162 /nfs/dbraw/zinc/42/31/62/556423162.db2.gz HJUFTRXZWJOIAH-UHFFFAOYSA-N 0 3 443.551 3.344 50 0 IGAAHN COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014543042 556426578 /nfs/dbraw/zinc/42/65/78/556426578.db2.gz ZBASOSSHNRFWMG-UHFFFAOYSA-N 0 3 427.570 3.236 50 0 IGAAHN C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCCCN(C)Cc1ccccc1 ZINC000032845471 556429445 /nfs/dbraw/zinc/42/94/45/556429445.db2.gz LRLWMGYHTWDLDY-INIZCTEOSA-N 0 3 432.362 3.206 50 0 IGAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cccc(OC)c1)CC2 ZINC000014744633 556440468 /nfs/dbraw/zinc/44/04/68/556440468.db2.gz AILQPKKEMMFWEP-UHFFFAOYSA-N 0 3 436.556 3.342 50 0 IGAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccccc1Cl)C2 ZINC000014751917 556443712 /nfs/dbraw/zinc/44/37/12/556443712.db2.gz JSUHMQPRPKDAHE-GOSISDBHSA-N 0 3 430.980 3.312 50 0 IGAAHN COCc1ccc(C(=O)NCc2nnc3n2CCN(C[C@H](C)CCC=C(C)C)CC3)o1 ZINC000014988914 556473938 /nfs/dbraw/zinc/47/39/38/556473938.db2.gz FQIQFKBRFOAELE-GOSISDBHSA-N 0 3 429.565 3.188 50 0 IGAAHN Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cc(F)cc(F)c2)C4)cn1 ZINC000014994390 556476925 /nfs/dbraw/zinc/47/69/25/556476925.db2.gz FHGVKHLQYUEGRQ-QGZVFWFLSA-N 0 3 441.507 3.165 50 0 IGAAHN COc1cccc(-n2c(CNC(=O)c3sccc3C)nnc2SCCN(C)C)c1 ZINC000015004082 556481158 /nfs/dbraw/zinc/48/11/58/556481158.db2.gz HGOCWNOTUCLFKX-UHFFFAOYSA-N 0 3 431.587 3.230 50 0 IGAAHN Cc1nn(C)c(C)c1CNCc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O ZINC000015067517 556493892 /nfs/dbraw/zinc/49/38/92/556493892.db2.gz MWSQZXDGWKGHDO-UHFFFAOYSA-N 0 3 425.552 3.267 50 0 IGAAHN COc1ccc(CN2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)cc1 ZINC000015068702 556494203 /nfs/dbraw/zinc/49/42/03/556494203.db2.gz XFPLIQWWSSNNMG-UHFFFAOYSA-N 0 3 425.573 3.372 50 0 IGAAHN CC(C)(C)CN1CCN(c2cccc3c2C(=O)N(C[C@H]2COc4ccccc4O2)C3=O)CC1 ZINC000015070490 556495388 /nfs/dbraw/zinc/49/53/88/556495388.db2.gz ZWCUSUWFXSOTBJ-SFHVURJKSA-N 0 3 449.551 3.291 50 0 IGAAHN COc1cc(-c2nnc(SCCNCCO)n2C2CCCCC2)cc(OC)c1OC ZINC000013524410 556512407 /nfs/dbraw/zinc/51/24/07/556512407.db2.gz ZMOWQVQAKHNNAQ-UHFFFAOYSA-N 0 3 436.578 3.150 50 0 IGAAHN c1ccc(N2CCN(Cc3ccc(CN4CCN(c5ccccn5)CC4)cc3)CC2)nc1 ZINC000015403616 556524537 /nfs/dbraw/zinc/52/45/37/556524537.db2.gz IVYUJMHGOJGAAX-UHFFFAOYSA-N 0 3 428.584 3.121 50 0 IGAAHN CSc1cccc(NC(=O)[C@H](C)N2CCN(c3ccccc3OCCN(C)C)CC2)c1 ZINC000072308421 556566228 /nfs/dbraw/zinc/56/62/28/556566228.db2.gz YYPAOGYLXJWDAE-IBGZPJMESA-N 0 3 442.629 3.498 50 0 IGAAHN COc1cccc(CNCCc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1 ZINC000016228269 556593531 /nfs/dbraw/zinc/59/35/31/556593531.db2.gz CIYNZXSVQAOCIM-UHFFFAOYSA-N 0 3 426.538 3.254 50 0 IGAAHN O=c1[nH]c2ccccc2c(=O)n1Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000032929988 556673126 /nfs/dbraw/zinc/67/31/26/556673126.db2.gz QAWNANGVVAJKIR-UHFFFAOYSA-N 0 3 426.520 3.060 50 0 IGAAHN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)NCCN1CCCC1 ZINC000046009207 556690963 /nfs/dbraw/zinc/69/09/63/556690963.db2.gz XSQPENYRKQBJQN-UHFFFAOYSA-N 0 3 439.535 3.330 50 0 IGAAHN COCCN1CCC(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1 ZINC000058023583 556754609 /nfs/dbraw/zinc/75/46/09/556754609.db2.gz AIGZSEFDNLGKEV-UHFFFAOYSA-N 0 3 429.586 3.092 50 0 IGAAHN CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)N3CCCc4ccccc43)c(=O)c2C1 ZINC000062007156 556765339 /nfs/dbraw/zinc/76/53/39/556765339.db2.gz RYXSTYRRRJOKOA-UHFFFAOYSA-N 0 3 446.526 3.407 50 0 IGAAHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)C1 ZINC000058169028 556767417 /nfs/dbraw/zinc/76/74/17/556767417.db2.gz MLYMOVNUUHOSHB-QNTHMWBDSA-N 0 3 440.588 3.075 50 0 IGAAHN Cc1ccc([C@H]2Cn3nnc(C(=O)NC4CCN(Cc5ccccc5)CC4)c3CO2)cc1 ZINC000097943994 556814926 /nfs/dbraw/zinc/81/49/26/556814926.db2.gz LHBCNBQLEKFPMC-HSZRJFAPSA-N 0 3 431.540 3.252 50 0 IGAAHN CCN(CC)[C@H]1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2Cc2ccccc2F)C1 ZINC000019609052 556831529 /nfs/dbraw/zinc/83/15/29/556831529.db2.gz NVTVDQKCYJMZBD-IBGZPJMESA-N 0 3 436.597 3.169 50 0 IGAAHN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCCN(c2ccncc2)C1 ZINC000033128862 556866123 /nfs/dbraw/zinc/86/61/23/556866123.db2.gz UGASHKQEHBKGLL-FQEVSTJZSA-N 0 3 442.007 3.280 50 0 IGAAHN O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1c1ccc(Br)cn1 ZINC000019894206 556940462 /nfs/dbraw/zinc/94/04/62/556940462.db2.gz NPHIVQXBFCSWLE-UHFFFAOYSA-N 0 3 437.297 3.208 50 0 IGAAHN O=C([C@@H]1CCCN(c2nnc3ccc(Cl)cn32)C1)N1CCN(C2CCCCC2)CC1 ZINC000097087078 556983287 /nfs/dbraw/zinc/98/32/87/556983287.db2.gz YQVHDLUEEHXICT-QGZVFWFLSA-N 0 3 430.984 3.076 50 0 IGAAHN Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1 ZINC000020209118 556998271 /nfs/dbraw/zinc/99/82/71/556998271.db2.gz FSMKVVGWSRPLQS-INIZCTEOSA-N 0 3 425.483 3.414 50 0 IGAAHN Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1 ZINC000020209114 556998280 /nfs/dbraw/zinc/99/82/80/556998280.db2.gz FSMKVVGWSRPLQS-MRXNPFEDSA-N 0 3 425.483 3.414 50 0 IGAAHN COc1cccc([C@H](CNC(=O)CNC(=O)Cc2cccc3ccccc32)N2CCCC2)c1 ZINC000024836707 557166431 /nfs/dbraw/zinc/16/64/31/557166431.db2.gz YEFXTZAZHSHDLZ-VWLOTQADSA-N 0 3 445.563 3.460 50 0 IGAAHN Cc1sc2ncn(CCC(=O)NC[C@H](c3cccs3)N3CCCC3)c(=O)c2c1C ZINC000025384319 557206595 /nfs/dbraw/zinc/20/65/95/557206595.db2.gz FSJZGZQVEXIGBX-MRXNPFEDSA-N 0 3 430.599 3.480 50 0 IGAAHN CCN(CC)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000018019177 557219031 /nfs/dbraw/zinc/21/90/31/557219031.db2.gz OIBUUMZIGKFIBD-FQEVSTJZSA-N 0 3 449.642 3.348 50 0 IGAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)Cn3c4cc(C)c(C)cc4nc(C)c3=O)C2)cc1 ZINC000032974682 557320042 /nfs/dbraw/zinc/32/00/42/557320042.db2.gz KIDWQRWSVYGTBR-QFIPXVFZSA-N 0 3 432.568 3.268 50 0 IGAAHN COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3cccc(OC)c3)CC2)C1=O ZINC000014539057 557340521 /nfs/dbraw/zinc/34/05/21/557340521.db2.gz LCLJVEIFJVOVFY-UHFFFAOYSA-N 0 3 437.540 3.141 50 0 IGAAHN C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CCN1 ZINC000253602921 568644086 /nfs/dbraw/zinc/64/40/86/568644086.db2.gz GVWPKKPYEKPYCT-RTBURBONSA-N 0 3 435.547 3.197 50 0 IGAAHN C[C@H]1CN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CCN1 ZINC000253602918 568644122 /nfs/dbraw/zinc/64/41/22/568644122.db2.gz GVWPKKPYEKPYCT-OALUTQOASA-N 0 3 435.547 3.197 50 0 IGAAHN CCN1CCC(N2C[C@H](NC(=O)C(c3ccccc3)c3ccccc3)C[C@H]2C(=O)OC)CC1 ZINC000299757456 568755380 /nfs/dbraw/zinc/75/53/80/568755380.db2.gz HRNGWMYKGGQQEW-VWNXMTODSA-N 0 3 449.595 3.035 50 0 IGAAHN CC(C)N1C[C@H](NCc2cccc(Cl)c2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000032513730 568812324 /nfs/dbraw/zinc/81/23/24/568812324.db2.gz GUTHJYKYBYCVRD-RTWAWAEBSA-N 0 3 443.975 3.369 50 0 IGAAHN O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000015727976 568812945 /nfs/dbraw/zinc/81/29/45/568812945.db2.gz JSKVNPJYDRPBLY-UHFFFAOYSA-N 0 3 428.606 3.022 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C ZINC000575443969 568869750 /nfs/dbraw/zinc/86/97/50/568869750.db2.gz FEXUYIURTHKPTA-UYAOXDASSA-N 0 3 428.577 3.215 50 0 IGAAHN CN(C)CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCN(C)C)cc2)cc1 ZINC000004794748 568940184 /nfs/dbraw/zinc/94/01/84/568940184.db2.gz VVCGWJVXIUOLJG-UHFFFAOYSA-N 0 3 428.533 3.498 50 0 IGAAHN CC[C@H](C(=O)NCCCN(C)Cc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787497 568956318 /nfs/dbraw/zinc/95/63/18/568956318.db2.gz YIKJKXZELDBVCB-JOCHJYFZSA-N 0 3 445.567 3.478 50 0 IGAAHN CCOC[C@@H](O)CN(CCN(C)C)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036313035 568998074 /nfs/dbraw/zinc/99/80/74/568998074.db2.gz SMCYUWWBHPMGMS-NRFANRHFSA-N 0 3 430.593 3.093 50 0 IGAAHN CCc1nc2c(c(=O)n1CC(=O)NCc1ccc(C)c(C)c1)CN(Cc1ccccc1)CC2 ZINC000065153590 569112086 /nfs/dbraw/zinc/11/20/86/569112086.db2.gz KFSWBUHTWGQZJI-UHFFFAOYSA-N 0 3 444.579 3.297 50 0 IGAAHN O=C(c1cccnc1N1CCN[C@@H](c2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000065255819 569123019 /nfs/dbraw/zinc/12/30/19/569123019.db2.gz LUIGHIJNDJQTEA-XMMPIXPASA-N 0 3 427.552 3.195 50 0 IGAAHN CC(C)(C)OC(=O)NC1CCN(CCCC(=O)N2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000170595796 569141746 /nfs/dbraw/zinc/14/17/46/569141746.db2.gz YQHLLWFXHQLQPF-OAQYLSRUSA-N 0 3 430.593 3.469 50 0 IGAAHN O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000170614647 569146411 /nfs/dbraw/zinc/14/64/11/569146411.db2.gz ALZOIYVVWPBNLY-WOJBJXKFSA-N 0 3 429.446 3.194 50 0 IGAAHN CN1CCN(c2nnc(-n3cccc3CNCc3cccc(Br)c3)s2)CC1 ZINC000009265781 569175534 /nfs/dbraw/zinc/17/55/34/569175534.db2.gz BZBNYPKHMHXLJV-UHFFFAOYSA-N 0 3 447.406 3.133 50 0 IGAAHN COc1ccc(CCC(=O)N2CCC3(CC2)C[C@H](N2CCN(C(C)C)CC2)CCO3)cc1 ZINC000581819706 569211473 /nfs/dbraw/zinc/21/14/73/569211473.db2.gz CYWBMLXBBNBNJN-HSZRJFAPSA-N 0 3 443.632 3.194 50 0 IGAAHN COc1cccc(CC(=O)N2CCC3(CC2)C[C@H](N2CCN(CC(C)C)CC2)CCO3)c1 ZINC000581819742 569211657 /nfs/dbraw/zinc/21/16/57/569211657.db2.gz HAUVUOWHCWWRJH-HSZRJFAPSA-N 0 3 443.632 3.052 50 0 IGAAHN O=C(c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1)N1CCN(c2ccccc2)CC1 ZINC000065256316 569263361 /nfs/dbraw/zinc/26/33/61/569263361.db2.gz OLTSYTAOXUOSRP-XMMPIXPASA-N 0 3 427.552 3.195 50 0 IGAAHN O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCCCN1CCc2ccccc2C1 ZINC000020416578 569364617 /nfs/dbraw/zinc/36/46/17/569364617.db2.gz FEDLDDTZJODQPL-UHFFFAOYSA-N 0 3 443.551 3.223 50 0 IGAAHN CCOc1cc(CNC2(C(N)=O)CCCCC2)ccc1OCC(=O)Nc1ccccc1 ZINC000095467764 569371203 /nfs/dbraw/zinc/37/12/03/569371203.db2.gz ZMQVRHLHQGJKLN-UHFFFAOYSA-N 0 3 425.529 3.381 50 0 IGAAHN COC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000067285828 569466951 /nfs/dbraw/zinc/46/69/51/569466951.db2.gz ITKYFUIXPMUGEW-NRFANRHFSA-N 0 3 446.979 3.071 50 0 IGAAHN CCOC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000067286725 569467156 /nfs/dbraw/zinc/46/71/56/569467156.db2.gz RGZSLKLTIPXAKY-NRFANRHFSA-N 0 3 431.533 3.141 50 0 IGAAHN Cc1ccc(-c2noc(CS(=O)(=O)C(C)C(=O)NC[C@@H](C)c3ccccc3)n2)cc1 ZINC000040121898 569489595 /nfs/dbraw/zinc/48/95/95/569489595.db2.gz DKOGJHDWZWXZTO-IAGOWNOFSA-N 0 3 427.526 3.268 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 ZINC000245228537 569499909 /nfs/dbraw/zinc/49/99/09/569499909.db2.gz JMVAICMXEKIGAQ-YHYVQYDKSA-N 0 3 441.597 3.276 50 0 IGAAHN Cc1ccc(C)c(N2CCN(CCCNC(=O)C3CCN(c4ccncc4)CC3)CC2)c1 ZINC000033129039 569587360 /nfs/dbraw/zinc/58/73/60/569587360.db2.gz LXRQYZSLPAGFSU-UHFFFAOYSA-N 0 3 435.616 3.243 50 0 IGAAHN O=C1[C@@H]2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002183638 132248555 /nfs/dbraw/zinc/24/85/55/132248555.db2.gz OEYDVYNTKKLWOG-IBGZPJMESA-N 0 3 438.494 3.424 50 0 IGAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)/C=C/c3ccco3)CC2)c(Cl)c1 ZINC000012571978 521786501 /nfs/dbraw/zinc/78/65/01/521786501.db2.gz MVBNJNVUHWRFDB-SOFGYWHQSA-N 0 3 445.947 3.308 50 0 IGAAHN COc1cc(Br)cc(CNCCN2CCOCC2)c1OCc1ccccc1 ZINC000020477783 522026156 /nfs/dbraw/zinc/02/61/56/522026156.db2.gz RSUNXSCHWMRPQT-UHFFFAOYSA-N 0 3 435.362 3.459 50 0 IGAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@@H](C)CCC=C(C)C)CC3)cc1 ZINC000012332788 523704280 /nfs/dbraw/zinc/70/42/80/523704280.db2.gz MQWPBZJDPUUZSM-FQEVSTJZSA-N 0 3 439.604 3.500 50 0 IGAAHN Cc1ccnc(N2CCC[C@@H](C(=O)NCC3CCN(Cc4ccccc4F)CC3)C2)n1 ZINC000035454330 525668187 /nfs/dbraw/zinc/66/81/87/525668187.db2.gz XONMBEUECBMFLY-OAQYLSRUSA-N 0 3 425.552 3.169 50 0 IGAAHN C[C@H]1CCCCN1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035422025 526249601 /nfs/dbraw/zinc/24/96/01/526249601.db2.gz RRJZGEADWYVAHD-NRFANRHFSA-N 0 3 442.648 3.123 50 0 IGAAHN O=C(CCC1CCN(Cc2ccc(CO)o2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012373120 526407805 /nfs/dbraw/zinc/40/78/05/526407805.db2.gz LMVGFXPRHPCGHN-JOCHJYFZSA-N 0 3 425.573 3.155 50 0 IGAAHN O=C(c1nc2ccc(Cl)cn2c1CNCCn1ccnc1)N1CCc2ccccc2C1 ZINC000012445824 526917975 /nfs/dbraw/zinc/91/79/75/526917975.db2.gz ORUJEQUONQUULY-UHFFFAOYSA-N 0 3 434.931 3.173 50 0 IGAAHN O=C(Nc1ccc(N2CCC(N3CCN(CCO)CC3)CC2)cc1)c1cccc(Cl)c1 ZINC000020598252 527221366 /nfs/dbraw/zinc/22/13/66/527221366.db2.gz UVVXEWZTVUQONM-UHFFFAOYSA-N 0 3 442.991 3.171 50 0 IGAAHN Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCc2cc(F)ccc2F)C4)cn1 ZINC000020598231 527240655 /nfs/dbraw/zinc/24/06/55/527240655.db2.gz OHUXHHQVMOYVEG-INIZCTEOSA-N 0 3 441.507 3.165 50 0 IGAAHN COCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCCN2CCCCC2)cc1 ZINC000034680136 555813482 /nfs/dbraw/zinc/81/34/82/555813482.db2.gz FRARCCJKIKTFLA-UHFFFAOYSA-N 0 3 437.584 3.319 50 0 IGAAHN CC1CCC2(CC1)OC[C@@H](C(=O)NCCN1CCCCC1)N2C(=O)c1ccc(F)cc1 ZINC000034920280 555931163 /nfs/dbraw/zinc/93/11/63/555931163.db2.gz MEIRRWASEHTRQP-VZQLXNMESA-N 0 3 431.552 3.175 50 0 IGAAHN CC(C)Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)cc1 ZINC000011783624 556352054 /nfs/dbraw/zinc/35/20/54/556352054.db2.gz JHAJQWVRFWOSST-LJQANCHMSA-N 0 3 432.572 3.421 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n(CCc2ccccc2Cl)c1COC ZINC000011784105 556352510 /nfs/dbraw/zinc/35/25/10/556352510.db2.gz YCSKOBCFETYENT-LJQANCHMSA-N 0 3 445.991 3.413 50 0 IGAAHN CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000032795677 556357785 /nfs/dbraw/zinc/35/77/85/556357785.db2.gz XARPHBSKSNKWSX-QGZVFWFLSA-N 0 3 430.346 3.180 50 0 IGAAHN COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(CCC(C)C)CC3)o1 ZINC000011882122 556373675 /nfs/dbraw/zinc/37/36/75/556373675.db2.gz XFHRXNGFXJDDEG-IBGZPJMESA-N 0 3 431.581 3.439 50 0 IGAAHN O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000013164101 556495698 /nfs/dbraw/zinc/49/56/98/556495698.db2.gz HBSPWCZMFKZONL-UHFFFAOYSA-N 0 3 447.988 3.307 50 0 IGAAHN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC(CC(=O)NCCN2CCCCC2)CC1 ZINC000033115097 556554324 /nfs/dbraw/zinc/55/43/24/556554324.db2.gz PTIQRSPXNLMWKJ-UHFFFAOYSA-N 0 3 437.588 3.025 50 0 IGAAHN CCN1CCC[C@H](OC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)C1 ZINC000032962573 556582619 /nfs/dbraw/zinc/58/26/19/556582619.db2.gz MEBKMWWVHXORKO-NRFANRHFSA-N 0 3 428.554 3.075 50 0 IGAAHN CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cc(F)ccc3F)c(=O)c2C1 ZINC000062007149 556765432 /nfs/dbraw/zinc/76/54/32/556765432.db2.gz HEZUKHKKJBEWTA-UHFFFAOYSA-N 0 3 442.441 3.344 50 0 IGAAHN CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccccc3OC)c(=O)c2C1 ZINC000062007152 556765453 /nfs/dbraw/zinc/76/54/53/556765453.db2.gz QRVOUMPLMWBMFY-UHFFFAOYSA-N 0 3 436.487 3.075 50 0 IGAAHN CCN1CCN(CCCNC(=O)c2sc3ncccc3c2-n2c(C)ccc2C)CC1 ZINC000033059972 556816422 /nfs/dbraw/zinc/81/64/22/556816422.db2.gz DGGBCFGRFNHDOK-UHFFFAOYSA-N 0 3 425.602 3.461 50 0 IGAAHN Cc1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1N(C)S(C)(=O)=O ZINC000065363779 556835070 /nfs/dbraw/zinc/83/50/70/556835070.db2.gz WTBGRJDQWDWUCO-UHFFFAOYSA-N 0 3 431.558 3.116 50 0 IGAAHN CN1CCC(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 ZINC000067621480 556844825 /nfs/dbraw/zinc/84/48/25/556844825.db2.gz LXCJOSDLMKOXBO-UHFFFAOYSA-N 0 3 435.977 3.130 50 0 IGAAHN Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000033171844 556882558 /nfs/dbraw/zinc/88/25/58/556882558.db2.gz UWPJBXLROZAUAB-UHFFFAOYSA-N 0 3 449.580 3.050 50 0 IGAAHN CC(=O)Nc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000019817541 556920197 /nfs/dbraw/zinc/92/01/97/556920197.db2.gz CQJSBZLDDNZZPK-NQIIRXRSSA-N 0 3 447.495 3.090 50 0 IGAAHN COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)c(C)cc1C)CC2 ZINC000019838177 556928723 /nfs/dbraw/zinc/92/87/23/556928723.db2.gz OFCPAABHZAMDOG-NRFANRHFSA-N 0 3 427.593 3.111 50 0 IGAAHN CCCOc1ccc(N2C(=O)C[C@H](NC3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 ZINC000019890120 556939305 /nfs/dbraw/zinc/93/93/05/556939305.db2.gz CAKXCLFBJVDYDE-IBGZPJMESA-N 0 3 441.553 3.063 50 0 IGAAHN COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c2ccccc12 ZINC000019939610 556953163 /nfs/dbraw/zinc/95/31/63/556953163.db2.gz OCQNUAFKLCUAHD-UHFFFAOYSA-N 0 3 445.523 3.064 50 0 IGAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2OC)n2c3ccccc3nc21 ZINC000023382059 557089173 /nfs/dbraw/zinc/08/91/73/557089173.db2.gz XSFCKOUKLFPENU-LJQANCHMSA-N 0 3 438.484 3.007 50 0 IGAAHN CN1c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097097349 557211820 /nfs/dbraw/zinc/21/18/20/557211820.db2.gz UMNSVNVVRASHLC-DEOSSOPVSA-N 0 3 432.568 3.483 50 0 IGAAHN Cc1nc(-c2cccnc2N2CCC(C(=O)N3CCN(C4CCCCC4)CC3)CC2)no1 ZINC000065227593 557442152 /nfs/dbraw/zinc/44/21/52/557442152.db2.gz WNGPSGVYBYRBNX-UHFFFAOYSA-N 0 3 438.576 3.133 50 0 IGAAHN O=C(c1ccsc1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575560363 557463034 /nfs/dbraw/zinc/46/30/34/557463034.db2.gz YKKWYMJVFXAHJC-HXUWFJFHSA-N 0 3 426.586 3.119 50 0 IGAAHN CSc1nc2nc(C)c(CC(=O)NCCN3CCC4(CCCCC4)CC3)c(C)n2n1 ZINC000225686528 557763496 /nfs/dbraw/zinc/76/34/96/557763496.db2.gz ONQMRWURKGEPMT-UHFFFAOYSA-N 0 3 430.622 3.168 50 0 IGAAHN Cc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)cc1Cl ZINC000009747231 562976606 /nfs/dbraw/zinc/97/66/06/562976606.db2.gz VBDNKNCFPMHEEX-UHFFFAOYSA-N 0 3 434.993 3.376 50 0 IGAAHN COc1ccc(CN(C)Cc2nc(C)c[nH]2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000015065533 568635108 /nfs/dbraw/zinc/63/51/08/568635108.db2.gz VGFFYYQKWWLJAM-QFIPXVFZSA-N 0 3 438.572 3.230 50 0 IGAAHN COc1cccc(C(=O)N2CCC3(C[C@@H]3C(=O)N3CCN(C4CCCCC4)CC3)CC2)c1 ZINC000299766532 568756425 /nfs/dbraw/zinc/75/64/25/568756425.db2.gz DYJNBJAJQMWCEX-HSZRJFAPSA-N 0 3 439.600 3.414 50 0 IGAAHN CN1CCCN(C(=O)[C@@H]2CC23CCN(Cc2cccn2-c2ccc(Cl)cn2)CC3)CC1 ZINC000299787853 568757416 /nfs/dbraw/zinc/75/74/16/568757416.db2.gz YFJVTHOUHCCGPT-NRFANRHFSA-N 0 3 442.007 3.292 50 0 IGAAHN Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCCCN2CCc3ccccc3C2)n1 ZINC000015729679 568813635 /nfs/dbraw/zinc/81/36/35/568813635.db2.gz LOWSEMRZRMIFEN-UHFFFAOYSA-N 0 3 442.523 3.409 50 0 IGAAHN CCN1CCN(CCNC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)CC1 ZINC000085649808 568831294 /nfs/dbraw/zinc/83/12/94/568831294.db2.gz PWAZTOPXKPTYIN-UHFFFAOYSA-N 0 3 448.546 3.394 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)cc2C)CC1 ZINC000016299683 568876262 /nfs/dbraw/zinc/87/62/62/568876262.db2.gz YVTFAKZBDYJEHF-UHFFFAOYSA-N 0 3 427.545 3.344 50 0 IGAAHN CSc1ccc(O[C@@H](C)C(=O)N(C)C[C@@H](O)CN2CCc3ccccc3CC2)cc1 ZINC000089368822 568921377 /nfs/dbraw/zinc/92/13/77/568921377.db2.gz YYRQHXPDGQQXED-GHTZIAJQSA-N 0 3 428.598 3.096 50 0 IGAAHN CN(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)C1CCCC1 ZINC000036249270 568983187 /nfs/dbraw/zinc/98/31/87/568983187.db2.gz UOKYIWLKQNZHLT-UHFFFAOYSA-N 0 3 444.551 3.398 50 0 IGAAHN O=C(NCCN1CCCCC1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681159 568991651 /nfs/dbraw/zinc/99/16/51/568991651.db2.gz SJPUXEYOQRXJLT-UHFFFAOYSA-N 0 3 447.514 3.052 50 0 IGAAHN CC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)CN(Cc1ccccc1)CC2 ZINC000065153613 569112040 /nfs/dbraw/zinc/11/20/40/569112040.db2.gz RPALVQCECYWIIQ-UHFFFAOYSA-N 0 3 448.542 3.381 50 0 IGAAHN CCCC(=O)Nc1ccc(C(=O)NCc2c3c(c(OC)c4c2CCN(C)C4)OCO3)cc1 ZINC000524731663 569126622 /nfs/dbraw/zinc/12/66/22/569126622.db2.gz GNNAPQXWSIHAAG-UHFFFAOYSA-N 0 3 439.512 3.080 50 0 IGAAHN CN(C)CCNC(=O)C1CCN(c2nc3ccc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000065272104 569129012 /nfs/dbraw/zinc/12/90/12/569129012.db2.gz ZETSQTWIKNIPGD-UHFFFAOYSA-N 0 3 427.549 3.392 50 0 IGAAHN COc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000065322565 569136831 /nfs/dbraw/zinc/13/68/31/569136831.db2.gz LUAIQGYVPVQLSJ-UHFFFAOYSA-N 0 3 430.512 3.440 50 0 IGAAHN Cc1nn(CC(=O)OCCCN2CCCN(C(=O)OC(C)(C)C)CC2)c(C)c1Cl ZINC000170609403 569144708 /nfs/dbraw/zinc/14/47/08/569144708.db2.gz UXPIEFPJSYLRKH-UHFFFAOYSA-N 0 3 428.961 3.029 50 0 IGAAHN CN(CCN(CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1)Cc1ccccc1 ZINC000079019934 569322375 /nfs/dbraw/zinc/32/23/75/569322375.db2.gz YVYSXCJTLXZJFU-UHFFFAOYSA-N 0 3 430.552 3.358 50 0 IGAAHN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN[C@@]1(C)CCCc2ccccc21 ZINC000095953328 569376674 /nfs/dbraw/zinc/37/66/74/569376674.db2.gz QFMVJCXGUHIPFT-QHCPKHFHSA-N 0 3 443.569 3.373 50 0 IGAAHN CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3)ccc21 ZINC000008231947 569462498 /nfs/dbraw/zinc/46/24/98/569462498.db2.gz HVBKDJWRIFZQMT-UHFFFAOYSA-N 0 3 427.570 3.060 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)N2CCCC2)cc1 ZINC000008313976 569462594 /nfs/dbraw/zinc/46/25/94/569462594.db2.gz CGVKYHIQYLCILQ-TZIWHRDSSA-N 0 3 425.554 3.451 50 0 IGAAHN CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2CN2CCCCC2)cc(C)c1C ZINC000008705860 569470409 /nfs/dbraw/zinc/47/04/09/569470409.db2.gz NILDUGXCNVCQNB-UHFFFAOYSA-N 0 3 429.586 3.127 50 0 IGAAHN Cc1ccc(-c2noc(CS(=O)(=O)C(C)C(=O)NC[C@@H](C)c3ccccc3)n2)cc1 ZINC000040121897 569489598 /nfs/dbraw/zinc/48/95/98/569489598.db2.gz DKOGJHDWZWXZTO-SJORKVTESA-N 0 3 427.526 3.268 50 0 IGAAHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000009336976 569523492 /nfs/dbraw/zinc/52/34/92/569523492.db2.gz RYKPIWWNADOQPI-OAQYLSRUSA-N 0 3 437.537 3.010 50 0 IGAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)Nc2ccc(F)cc2)c2c1CCCC2 ZINC000009747026 569565795 /nfs/dbraw/zinc/56/57/95/569565795.db2.gz BNXVWIKKOBXMMD-UHFFFAOYSA-N 0 3 432.565 3.334 50 0 IGAAHN CN(C)CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000037524236 569588048 /nfs/dbraw/zinc/58/80/48/569588048.db2.gz OWTKXDRJQDLWLY-UHFFFAOYSA-N 0 3 428.964 3.030 50 0 IGAAHN CC[C@@H]1Oc2ccccc2N(CC(=O)NCCN2CCC(Cc3ccccc3)CC2)C1=O ZINC000008812244 132294719 /nfs/dbraw/zinc/29/47/19/132294719.db2.gz HFTPAHCHGKSJQI-QHCPKHFHSA-N 0 3 435.568 3.262 50 0 IGAAHN CCCN1CCN(CCCNC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)CC1 ZINC000020933785 519858139 /nfs/dbraw/zinc/85/81/39/519858139.db2.gz QNDYPKNXFMSWFP-UHFFFAOYSA-N 0 3 448.615 3.427 50 0 IGAAHN CCCOc1ccc(Br)cc1CNCCc1ccc(S(N)(=O)=O)cc1 ZINC000020929315 520324764 /nfs/dbraw/zinc/32/47/64/520324764.db2.gz OXUQHQWYBVSGEV-UHFFFAOYSA-N 0 3 427.364 3.218 50 0 IGAAHN CCOC(=O)c1cccc(OC[C@H](O)CNC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000022809418 521548345 /nfs/dbraw/zinc/54/83/45/521548345.db2.gz UVKAVXQXORDLJD-QPPBQGQZSA-N 0 3 442.556 3.038 50 0 IGAAHN CC[C@H]1CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)Cc2cc(OC)ccc2O1 ZINC000012182172 523272024 /nfs/dbraw/zinc/27/20/24/523272024.db2.gz DPPZEJOJPGVENC-QHCPKHFHSA-N 0 3 437.584 3.449 50 0 IGAAHN COCCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCC[C@H](C)C1 ZINC000012338177 523898575 /nfs/dbraw/zinc/89/85/75/523898575.db2.gz PHXAEDIYTZJWBE-SFHVURJKSA-N 0 3 440.540 3.456 50 0 IGAAHN COCCOC1CCN(C(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)CC1 ZINC000012437423 523974217 /nfs/dbraw/zinc/97/42/17/523974217.db2.gz HCYQBDASUMISEJ-UHFFFAOYSA-N 0 3 434.577 3.214 50 0 IGAAHN Cc1ccc(COc2ccc3ccccc3c2CNCCNC(=O)c2nonc2N)cc1 ZINC000040744376 524630891 /nfs/dbraw/zinc/63/08/91/524630891.db2.gz DDAJRZCLFHPESE-UHFFFAOYSA-N 0 3 431.496 3.212 50 0 IGAAHN COc1ccc(OC)c(CC(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccc3c(c2)OCO3)c1 ZINC000022648397 524813567 /nfs/dbraw/zinc/81/35/67/524813567.db2.gz RBMMSMDURHOAGJ-IHWFROFDSA-N 0 3 438.524 3.287 50 0 IGAAHN C[C@@H]1Cc2cc(C(=O)NC[C@H](c3cccs3)N3CCCC3)ccc2N1S(C)(=O)=O ZINC000012779687 525519816 /nfs/dbraw/zinc/51/98/16/525519816.db2.gz BHJQPPOSZNLGRB-DNVCBOLYSA-N 0 3 433.599 3.026 50 0 IGAAHN Cc1ccc(C(=O)N2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)s1 ZINC000012717453 526087884 /nfs/dbraw/zinc/08/78/84/526087884.db2.gz VBETUWJOWXUHJZ-UHFFFAOYSA-N 0 3 429.586 3.374 50 0 IGAAHN Cc1ccc(C)c(-c2cc(C(=O)N(CC(=O)NCCN(C)C)Cc3ccccc3)no2)c1 ZINC000036015462 526255551 /nfs/dbraw/zinc/25/55/51/526255551.db2.gz QQMMDMGGBJKIRC-UHFFFAOYSA-N 0 3 434.540 3.279 50 0 IGAAHN O=C(NCCN1CCCCC1)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000033168629 526305797 /nfs/dbraw/zinc/30/57/97/526305797.db2.gz RIBRKTJFMJBQOS-UHFFFAOYSA-N 0 3 425.602 3.446 50 0 IGAAHN O=C(CC[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020774633 526568905 /nfs/dbraw/zinc/56/89/05/526568905.db2.gz SIHPPDWGBBQTLS-OAQYLSRUSA-N 0 3 449.599 3.264 50 0 IGAAHN Cn1c(CNC2CCN(c3ccc(CC(=O)N4CCCC4)cc3)CC2)nc2ccccc21 ZINC000012151234 527061360 /nfs/dbraw/zinc/06/13/60/527061360.db2.gz NZZAMWDLTXGBJY-UHFFFAOYSA-N 0 3 431.584 3.497 50 0 IGAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(-n2cnnc2)n1 ZINC000021721088 527227270 /nfs/dbraw/zinc/22/72/70/527227270.db2.gz VQRPZDWMDQPIJR-UHFFFAOYSA-N 0 3 439.523 3.237 50 0 IGAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(OC)ccc2OC)C1=O ZINC000002356546 535550304 /nfs/dbraw/zinc/55/03/04/535550304.db2.gz JCJSSIWTDMPAIY-GFXBCDTMSA-N 0 3 435.524 3.306 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000011703861 535598673 /nfs/dbraw/zinc/59/86/73/535598673.db2.gz WIOCYEONRUITRP-NRFANRHFSA-N 0 3 433.600 3.449 50 0 IGAAHN Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc43)CC1)CCC[C@H]2O ZINC000001481956 555701813 /nfs/dbraw/zinc/70/18/13/555701813.db2.gz PMXMIIMHBWHSKN-LJQANCHMSA-N 0 3 426.492 3.081 50 0 fda IGAAHN CCc1ccc(CN(C)Cc2cc(OC)ccc2OC[C@H](O)CN2CCC(O)CC2)cc1 ZINC000011705647 556347761 /nfs/dbraw/zinc/34/77/61/556347761.db2.gz HTBNOURCSUTMEA-XMMPIXPASA-N 0 3 442.600 3.086 50 0 IGAAHN CC1(C)[C@@H]2C[C@H]1C(CN1CCc3nnc(CCNC(=O)C4CCCCC4)n3CC1)=CC2 ZINC000011815395 556358321 /nfs/dbraw/zinc/35/83/21/556358321.db2.gz IGPXOOYXYFAFDN-SFTDATJTSA-N 0 3 425.621 3.368 50 0 IGAAHN CC(=O)c1ccc(OCc2cc(C(=O)N3CCC(N4CCSCC4)CC3)no2)cc1 ZINC000011842533 556365899 /nfs/dbraw/zinc/36/58/99/556365899.db2.gz SWCJZZJNAYYFJA-UHFFFAOYSA-N 0 3 429.542 3.110 50 0 IGAAHN CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000014244982 556404737 /nfs/dbraw/zinc/40/47/37/556404737.db2.gz KMISERPOZOEVGZ-HXUWFJFHSA-N 0 3 437.993 3.021 50 0 IGAAHN CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000014537826 556423983 /nfs/dbraw/zinc/42/39/83/556423983.db2.gz CCEPCZDXGJUJHH-UHFFFAOYSA-N 0 3 441.915 3.498 50 0 IGAAHN CC(C)(C)c1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)N3C2)cc1 ZINC000014742440 556439425 /nfs/dbraw/zinc/43/94/25/556439425.db2.gz IBNNRQFXTMRVAX-FKBYEOEOSA-N 0 3 439.987 3.438 50 0 IGAAHN CC(C)CCOc1ccc(CN(CC(C)(C)N(C)C)S(=O)(=O)c2cnn(C)c2)cc1 ZINC000072272302 556444234 /nfs/dbraw/zinc/44/42/34/556444234.db2.gz MZQGPBWHYKRQMG-UHFFFAOYSA-N 0 3 436.622 3.376 50 0 IGAAHN O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2 ZINC000014883110 556454724 /nfs/dbraw/zinc/45/47/24/556454724.db2.gz AUBFXJFCFKJKDB-UHFFFAOYSA-N 0 3 425.536 3.349 50 0 IGAAHN Cc1cc(C)c(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1C ZINC000014961384 556463790 /nfs/dbraw/zinc/46/37/90/556463790.db2.gz JPHWZLRYYMXZOC-UHFFFAOYSA-N 0 3 435.547 3.260 50 0 IGAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CSc3ccncc3)C2)cc1OC ZINC000015077819 556500015 /nfs/dbraw/zinc/50/00/15/556500015.db2.gz UNERVTCVAXXSIH-LJQANCHMSA-N 0 3 429.586 3.356 50 0 IGAAHN CC1CCN([C@@H](CNC(=O)CN(C)S(=O)(=O)c2cccs2)c2cccs2)CC1 ZINC000032716672 556505699 /nfs/dbraw/zinc/50/56/99/556505699.db2.gz FJVYOEYBGJAGHJ-INIZCTEOSA-N 0 3 441.644 3.020 50 0 IGAAHN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000072312058 556597280 /nfs/dbraw/zinc/59/72/80/556597280.db2.gz XMVCXQDFORKIOO-INIZCTEOSA-N 0 3 441.333 3.276 50 0 IGAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4ccc(OC)cc4)c(C)c32)CC1 ZINC000033048400 556744699 /nfs/dbraw/zinc/74/46/99/556744699.db2.gz AETGSQHHYXFESA-UHFFFAOYSA-N 0 3 439.585 3.470 50 0 IGAAHN CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)N3CCc4ccccc4C3)c(=O)c2C1 ZINC000062007155 556765296 /nfs/dbraw/zinc/76/52/96/556765296.db2.gz URWHFNXVNBKULP-UHFFFAOYSA-N 0 3 446.526 3.012 50 0 IGAAHN CCC(CC)NS(=O)(=O)c1ccc(N2CCCN(Cc3ccc(OC)cc3)CC2)nc1 ZINC000059333705 556798216 /nfs/dbraw/zinc/79/82/16/556798216.db2.gz ZPIORJTYYBVGRJ-UHFFFAOYSA-N 0 3 446.617 3.269 50 0 IGAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3c(C)cc(C)cc3-n3cccn3)C2)CC1 ZINC000019841842 556929710 /nfs/dbraw/zinc/92/97/10/556929710.db2.gz UZJBXFNISTUSCH-NRFANRHFSA-N 0 3 425.577 3.228 50 0 IGAAHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C(C)C)cc1 ZINC000017362922 557074035 /nfs/dbraw/zinc/07/40/35/557074035.db2.gz KHXHWWKMZVPYFR-QHCPKHFHSA-N 0 3 443.613 3.079 50 0 IGAAHN Cc1ccc(CN2CCc3ncn(CC(=O)NCc4cccc(Cl)c4)c(=O)c3C2)cc1 ZINC000049400923 557096755 /nfs/dbraw/zinc/09/67/55/557096755.db2.gz ZWLIWDOVXNLWIS-UHFFFAOYSA-N 0 3 436.943 3.080 50 0 IGAAHN COc1ccc(OCCNCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000049590298 557116976 /nfs/dbraw/zinc/11/69/76/557116976.db2.gz GOSQWOKDKPRUEY-NRFANRHFSA-N 0 3 426.513 3.189 50 0 IGAAHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000025461716 557211133 /nfs/dbraw/zinc/21/11/33/557211133.db2.gz CSKIVTYHSLMKQW-XMMPIXPASA-N 0 3 432.568 3.168 50 0 IGAAHN COc1ccc([C@H](CNC(=O)CCN2c3ccccc3O[C@H](C)C2=O)N2CCCC2)cc1 ZINC000014069128 557297343 /nfs/dbraw/zinc/29/73/43/557297343.db2.gz QGZXKHFMGBVPQD-GCJKJVERSA-N 0 3 437.540 3.153 50 0 IGAAHN CCN(CC)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 ZINC000014237157 557327402 /nfs/dbraw/zinc/32/74/02/557327402.db2.gz IYIYMPIRCCTWGK-HSZRJFAPSA-N 0 3 443.613 3.287 50 0 IGAAHN Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(c4ccccn4)CC2)CCO3)c1 ZINC000575317399 557463081 /nfs/dbraw/zinc/46/30/81/557463081.db2.gz OAMIHEFYBHAYEB-QHCPKHFHSA-N 0 3 434.584 3.366 50 0 IGAAHN COc1ccc(COCCCC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000107541534 557536057 /nfs/dbraw/zinc/53/60/57/557536057.db2.gz DIXIWZZCTZXQBY-RUZDIDTESA-N 0 3 439.600 3.487 50 0 IGAAHN CN(CC(=O)NCCCN1CCN(Cc2ccccc2)CC1)c1nc2ccccc2s1 ZINC000040150393 557703751 /nfs/dbraw/zinc/70/37/51/557703751.db2.gz LLTISNNEMGTRMX-UHFFFAOYSA-N 0 3 437.613 3.057 50 0 IGAAHN O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000225407392 557719193 /nfs/dbraw/zinc/71/91/93/557719193.db2.gz ALZOIYVVWPBNLY-PMACEKPBSA-N 0 3 429.446 3.194 50 0 IGAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000229940455 557834214 /nfs/dbraw/zinc/83/42/14/557834214.db2.gz NYZMSUPACKYIHW-TZIWHRDSSA-N 0 3 444.626 3.250 50 0 IGAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccccc3Cl)nc1=O)CCC2 ZINC000009745674 562976522 /nfs/dbraw/zinc/97/65/22/562976522.db2.gz PKMKPXKFPLRNDR-UHFFFAOYSA-N 0 3 434.993 3.458 50 0 IGAAHN CCOc1ccccc1CN1CCN(C2CCN(Cc3ccccn3)CC2)C[C@@H]1CCO ZINC000023373496 568613803 /nfs/dbraw/zinc/61/38/03/568613803.db2.gz IJJSEWAUGKHGEX-VWLOTQADSA-N 0 3 438.616 3.014 50 0 IGAAHN CSc1ccccc1CN1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000043942564 568743678 /nfs/dbraw/zinc/74/36/78/568743678.db2.gz FOUKDDTXLJNXRJ-UHFFFAOYSA-N 0 3 441.553 3.104 50 0 IGAAHN Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cc(N3CCCC3)nc(C)n2)CC1 ZINC000015671254 568802359 /nfs/dbraw/zinc/80/23/59/568802359.db2.gz RSEZZJVEDKQWHQ-UHFFFAOYSA-N 0 3 443.617 3.328 50 0 IGAAHN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCCCN(C)Cc3ccccc3)ccc2S1 ZINC000015730567 568814200 /nfs/dbraw/zinc/81/42/00/568814200.db2.gz IJVYGEYRSXDPFV-MRXNPFEDSA-N 0 3 433.599 3.310 50 0 IGAAHN CCCCOCCCNCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000015979887 568861851 /nfs/dbraw/zinc/86/18/51/568861851.db2.gz YSZXNZJQJYLFSR-UHFFFAOYSA-N 0 3 439.622 3.295 50 0 IGAAHN CC[C@@H](NCCc1c[nH]c2ccccc12)c1nnnn1-c1ccc(N2CCOCC2)cc1 ZINC000575443932 568869699 /nfs/dbraw/zinc/86/96/99/568869699.db2.gz YFQYEGGXCLEIKX-JOCHJYFZSA-N 0 3 431.544 3.264 50 0 IGAAHN COc1cc(-c2noc(CCN(Cc3ccccc3)C[C@@H](C)O)n2)cc(OC)c1OC ZINC000036155305 568964640 /nfs/dbraw/zinc/96/46/40/568964640.db2.gz HXCGWQOFWUVYBI-MRXNPFEDSA-N 0 3 427.501 3.188 50 0 IGAAHN COc1cc(-c2noc(CCN(Cc3ccccc3)C[C@H](C)O)n2)cc(OC)c1OC ZINC000036155302 568964717 /nfs/dbraw/zinc/96/47/17/568964717.db2.gz HXCGWQOFWUVYBI-INIZCTEOSA-N 0 3 427.501 3.188 50 0 IGAAHN CC(=O)C1[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000036370348 569088548 /nfs/dbraw/zinc/08/85/48/569088548.db2.gz FFOUXBGFXPURFH-YFVAEKQCSA-N 0 3 444.413 3.349 50 0 IGAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1cc(C)ccc1OC)CN(Cc1ccccc1)CC2 ZINC000065153579 569112098 /nfs/dbraw/zinc/11/20/98/569112098.db2.gz BIJMATYSFDDKMD-UHFFFAOYSA-N 0 3 446.551 3.320 50 0 IGAAHN CC(C)c1nc2c(c(=O)n1CC(=O)NCc1cccs1)CN(Cc1ccccc1)CC2 ZINC000065153615 569112106 /nfs/dbraw/zinc/11/21/06/569112106.db2.gz URJUCPRZCUOGNA-UHFFFAOYSA-N 0 3 436.581 3.303 50 0 IGAAHN CCN1CCN(CCNC(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2)CC1 ZINC000065178400 569114405 /nfs/dbraw/zinc/11/44/05/569114405.db2.gz DDCWBUBZDFSOPL-UHFFFAOYSA-N 0 3 435.616 3.496 50 0 IGAAHN CCCCN1C(=O)[C@](C)(C(=O)NC2CCN(Cc3ccccc3)CC2)Oc2cccnc21 ZINC000065241997 569121939 /nfs/dbraw/zinc/12/19/39/569121939.db2.gz NZONRNXEDAFIAO-VWLOTQADSA-N 0 3 436.556 3.147 50 0 IGAAHN COc1ccc(OC)c(CNC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)c1 ZINC000065255930 569123011 /nfs/dbraw/zinc/12/30/11/569123011.db2.gz QTAHINISSDTFNR-JOCHJYFZSA-N 0 3 432.524 3.180 50 0 IGAAHN O=C(c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065256320 569123177 /nfs/dbraw/zinc/12/31/77/569123177.db2.gz PKIDUNGQQYPZDF-XMMPIXPASA-N 0 3 445.542 3.334 50 0 IGAAHN O=C(c1cccc(N2CCN[C@H](c3ccccc3)C2)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065256319 569123216 /nfs/dbraw/zinc/12/32/16/569123216.db2.gz PKIDUNGQQYPZDF-DEOSSOPVSA-N 0 3 445.542 3.334 50 0 IGAAHN COc1ccc(CNC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)cc1OC ZINC000065256283 569123220 /nfs/dbraw/zinc/12/32/20/569123220.db2.gz UITVWVISTRIFEP-NRFANRHFSA-N 0 3 432.524 3.180 50 0 IGAAHN COc1ccc(CNC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)c(OC)c1 ZINC000065256261 569123256 /nfs/dbraw/zinc/12/32/56/569123256.db2.gz CXZHCBCYHGSFKE-QFIPXVFZSA-N 0 3 432.524 3.180 50 0 IGAAHN COc1cccc(-c2ccc3nc(N4CCC(C(=O)NCCN(C)C)CC4)sc3n2)c1 ZINC000065272070 569129001 /nfs/dbraw/zinc/12/90/01/569129001.db2.gz XXBLYQOZUGPOOK-UHFFFAOYSA-N 0 3 439.585 3.261 50 0 IGAAHN CC(C)(C)OC(=O)NC1CCN(CCCC(=O)N2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000170595795 569141731 /nfs/dbraw/zinc/14/17/31/569141731.db2.gz YQHLLWFXHQLQPF-NRFANRHFSA-N 0 3 430.593 3.469 50 0 IGAAHN COc1ccc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=N)N2)cc1Cl ZINC000013579121 569156125 /nfs/dbraw/zinc/15/61/25/569156125.db2.gz VHFQMVAATJNDIR-GOSISDBHSA-N 0 3 442.932 3.474 50 0 IGAAHN COCCn1c(C)cc(O)c([C@@H](c2ccc(OC)c(OC)c2)N2CCC(C)CC2)c1=O ZINC000016993333 569169888 /nfs/dbraw/zinc/16/98/88/569169888.db2.gz ABFKQKUHRNHQQX-HSZRJFAPSA-N 0 3 430.545 3.347 50 0 IGAAHN CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCSCC1 ZINC000002337028 569274894 /nfs/dbraw/zinc/27/48/94/569274894.db2.gz AWXHYCVGUCJJAK-UHFFFAOYSA-N 0 3 440.363 3.485 50 0 IGAAHN COc1ccc([C@H](CNCc2c(Cl)cccc2N2CCOCC2)N2CCOCC2)cc1 ZINC000079073485 569324592 /nfs/dbraw/zinc/32/45/92/569324592.db2.gz DSCKTRDTRTUPLL-DEOSSOPVSA-N 0 3 445.991 3.348 50 0 IGAAHN CCOC(=O)C1C(CN(C)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020283610 569359009 /nfs/dbraw/zinc/35/90/09/569359009.db2.gz AVSYVQZNLGJJJY-NRFANRHFSA-N 0 3 439.512 3.007 50 0 IGAAHN CCSc1ccccc1N1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000096027677 569380728 /nfs/dbraw/zinc/38/07/28/569380728.db2.gz HNLHCQXSJOKROF-UHFFFAOYSA-N 0 3 438.597 3.404 50 0 IGAAHN O=C(CNC(=O)c1cccs1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057270872 569430249 /nfs/dbraw/zinc/43/02/49/569430249.db2.gz RCKIVAAROHLCKK-UHFFFAOYSA-N 0 3 434.565 3.439 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933048 569487758 /nfs/dbraw/zinc/48/77/58/569487758.db2.gz ZBNQMYWVTHTHTM-HXUWFJFHSA-N 0 3 443.551 3.000 50 0 IGAAHN O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000009577010 569548188 /nfs/dbraw/zinc/54/81/88/569548188.db2.gz HQRSMQUHZKJQSF-UYRXBGFRSA-N 0 3 425.510 3.097 50 0 IGAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000009743248 569565476 /nfs/dbraw/zinc/56/54/76/569565476.db2.gz SOHSRNWUICKMKG-QFIPXVFZSA-N 0 3 438.531 3.449 50 0 IGAAHN COc1ccc(OC)c(-c2csc(C3=C(N)N(CC[C@@H]4CCCN4C)[C@H](C)C3=O)n2)c1 ZINC000034769674 569587618 /nfs/dbraw/zinc/58/76/18/569587618.db2.gz AHTWJWHMEYZGSU-CABCVRRESA-N 0 3 442.585 3.212 50 0 IGAAHN COc1cc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)ccc1O ZINC000000819208 132230993 /nfs/dbraw/zinc/23/09/93/132230993.db2.gz RFCJRPBTYQADLQ-UHFFFAOYSA-N 0 3 427.520 3.101 50 0 IGAAHN CCCOc1c(CNCCCSc2nnnn2C)cc(Br)cc1OC ZINC000040744613 520293552 /nfs/dbraw/zinc/29/35/52/520293552.db2.gz QGURZARFMVLVNZ-UHFFFAOYSA-N 0 3 430.372 3.042 50 0 IGAAHN CCOc1c(Br)cc(CNCCCN2CCOCC2)cc1Br ZINC000020477841 520592109 /nfs/dbraw/zinc/59/21/09/520592109.db2.gz XPIWLLWFKQUUJM-UHFFFAOYSA-N 0 3 436.188 3.422 50 0 IGAAHN CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)C[C@H]2CCCN(C)C2)c1=O ZINC000012183799 520689501 /nfs/dbraw/zinc/68/95/01/520689501.db2.gz GMXGFIMNNUKKBJ-IBGZPJMESA-N 0 3 444.620 3.297 50 0 IGAAHN CC1CCC2(CC1)OC[C@@H](C(=O)NCCN(C)C)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035981566 520966649 /nfs/dbraw/zinc/96/66/49/520966649.db2.gz UDUSTTFRWSTCHQ-UARVQCNDSA-N 0 3 442.387 3.419 50 0 IGAAHN CCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(OCC)c(OCC)c3)C2=O)cc1 ZINC000020494371 521036553 /nfs/dbraw/zinc/03/65/53/521036553.db2.gz PJYUCXHFDNXEMP-FQEVSTJZSA-N 0 3 426.513 3.347 50 0 IGAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@H]3CC=CCC3)CC2)c(Cl)c1 ZINC000012596712 521784603 /nfs/dbraw/zinc/78/46/03/521784603.db2.gz ARMKCZAJOGIBEA-KRWDZBQOSA-N 0 3 433.980 3.358 50 0 IGAAHN COC(=O)c1cc(CNC(=O)C2(N3CCCC3)CCCC2)cc(NC(=O)c2ccoc2)c1 ZINC000012157808 521846142 /nfs/dbraw/zinc/84/61/42/521846142.db2.gz NTQDXZGBNDUMJW-UHFFFAOYSA-N 0 3 439.512 3.343 50 0 IGAAHN CN(C)C[C@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccccc1 ZINC000012560004 521859712 /nfs/dbraw/zinc/85/97/12/521859712.db2.gz AEGMYUOBZGMWBN-FQEVSTJZSA-N 0 3 437.569 3.184 50 0 IGAAHN C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1Cl ZINC000012785078 522263414 /nfs/dbraw/zinc/26/34/14/522263414.db2.gz UBMXCODMRFCDEX-UHFFFAOYSA-N 0 3 435.977 3.164 50 0 IGAAHN COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3ccc(F)cc3)c2)CC1 ZINC000012714293 522916313 /nfs/dbraw/zinc/91/63/13/522916313.db2.gz AJSJSYLTWHYMPH-HSZRJFAPSA-N 0 3 444.547 3.082 50 0 IGAAHN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCN3CCCCCC3)CC2)c2ccccc2O1 ZINC000020489452 523392834 /nfs/dbraw/zinc/39/28/34/523392834.db2.gz UEAODNAMASRAPZ-OAQYLSRUSA-N 0 3 442.604 3.488 50 0 IGAAHN CN1CCN(CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4NC3=O)cc2)CC1 ZINC000020728752 523896830 /nfs/dbraw/zinc/89/68/30/523896830.db2.gz YCALJMUXRLGHJV-OQKWZONESA-N 0 3 436.581 3.139 50 0 IGAAHN C[C@@H]1CCCCN1CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000012514492 524103165 /nfs/dbraw/zinc/10/31/65/524103165.db2.gz SZNAUUJLMQSIPN-QGZVFWFLSA-N 0 3 432.590 3.162 50 0 IGAAHN Cc1ccc(CN2CCCN(CC(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000022831728 524446478 /nfs/dbraw/zinc/44/64/78/524446478.db2.gz GDFPJCSGFVNIKO-UHFFFAOYSA-N 0 3 436.600 3.183 50 0 IGAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000012429852 524447591 /nfs/dbraw/zinc/44/75/91/524447591.db2.gz MQSBMRYJELRWTF-UHFFFAOYSA-N 0 3 428.577 3.000 50 0 IGAAHN C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCCc2cccnc2)C[C@H](C)O1 ZINC000012307212 524886451 /nfs/dbraw/zinc/88/64/51/524886451.db2.gz NSGIFELWUGIAHX-CALCHBBNSA-N 0 3 441.963 3.355 50 0 IGAAHN C[C@H]1Cc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc2N1C(=O)C1CC1 ZINC000020516859 524982669 /nfs/dbraw/zinc/98/26/69/524982669.db2.gz GLKBYXSQFLWHBJ-KRWDZBQOSA-N 0 3 431.602 3.013 50 0 IGAAHN Cc1c(C(=O)NCCCN2CCN(C3CCCCC3)CC2)oc2c1-c1n[nH]cc1CC2 ZINC000020900766 525610591 /nfs/dbraw/zinc/61/05/91/525610591.db2.gz ILSIQKLOVJOIKH-UHFFFAOYSA-N 0 3 425.577 3.147 50 0 IGAAHN COc1ccc2cc(C(=O)N3CCC(CC(=O)NCCN4CCCC[C@@H]4C)CC3)[nH]c2c1 ZINC000035454104 525621545 /nfs/dbraw/zinc/62/15/45/525621545.db2.gz JWQLKGSLVHOPBP-SFHVURJKSA-N 0 3 440.588 3.409 50 0 IGAAHN O=C(NCCN1CCCCCC1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021049792 526309352 /nfs/dbraw/zinc/30/93/52/526309352.db2.gz HOJWIOXXSBFIRR-UHFFFAOYSA-N 0 3 443.979 3.188 50 0 IGAAHN O=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCCN1CCCCCC1 ZINC000035404651 526725094 /nfs/dbraw/zinc/72/50/94/526725094.db2.gz LPTSHTRTIWSKLJ-UHFFFAOYSA-N 0 3 425.552 3.093 50 0 IGAAHN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000022810918 526767231 /nfs/dbraw/zinc/76/72/31/526767231.db2.gz AJFHEDCSHXAOMJ-KPKJPENVSA-N 0 3 432.612 3.098 50 0 IGAAHN O=C(Cn1cccc1C(=O)c1ccccc1)NCCCN1CCN(C2CCCCC2)CC1 ZINC000020414858 527383792 /nfs/dbraw/zinc/38/37/92/527383792.db2.gz QLDBMLMOEFPPHR-UHFFFAOYSA-N 0 3 436.600 3.176 50 0 IGAAHN Cn1ncc2c3ccccc3n(CCCC(=O)N3CCN(C4CCCCC4)CC3)c2c1=O ZINC000035372237 527588155 /nfs/dbraw/zinc/58/81/55/527588155.db2.gz NAQVZMDATXPJCA-UHFFFAOYSA-N 0 3 435.572 3.145 50 0 IGAAHN CN(C)CCN1C(c2ccccc2)=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)C2=C1CCCC2 ZINC000002692969 556120524 /nfs/dbraw/zinc/12/05/24/556120524.db2.gz YRKLBCNWYINONA-UHFFFAOYSA-N 0 3 434.540 3.080 50 0 IGAAHN CCCOc1ccc(N2C(=O)C[C@@H](NC3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 ZINC000009933870 556317304 /nfs/dbraw/zinc/31/73/04/556317304.db2.gz CAKXCLFBJVDYDE-LJQANCHMSA-N 0 3 441.553 3.063 50 0 IGAAHN COc1ccc(CN(C)Cc2nc3ccccc3[nH]2)cc1OC[C@H](O)CN1CCCCC1 ZINC000011664568 556345328 /nfs/dbraw/zinc/34/53/28/556345328.db2.gz MBFNWWLKOYYCLV-HXUWFJFHSA-N 0 3 438.572 3.429 50 0 IGAAHN CC(C)Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)cc1 ZINC000011783625 556352197 /nfs/dbraw/zinc/35/21/97/556352197.db2.gz JHAJQWVRFWOSST-IBGZPJMESA-N 0 3 432.572 3.421 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)c1cc2nc(-c3ccccc3)n(C)c2c(NC(=O)COC)c1 ZINC000011880214 556372177 /nfs/dbraw/zinc/37/21/77/556372177.db2.gz PDFZTIRLFWVDPJ-IBGZPJMESA-N 0 3 449.555 3.039 50 0 IGAAHN C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012024132 556387518 /nfs/dbraw/zinc/38/75/18/556387518.db2.gz WFZLRXGAUPMBMX-FQEVSTJZSA-N 0 3 435.568 3.075 50 0 IGAAHN COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C(C)C)cc1)CC2 ZINC000012041740 556391135 /nfs/dbraw/zinc/39/11/35/556391135.db2.gz FPPWDGODKIFUAN-OAQYLSRUSA-N 0 3 427.593 3.310 50 0 IGAAHN Cc1cc(=O)c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC000059995905 556416721 /nfs/dbraw/zinc/41/67/21/556416721.db2.gz ATIOQVYOHRCPKD-LSDHHAIUSA-N 0 3 436.478 3.410 50 0 IGAAHN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014733126 556437453 /nfs/dbraw/zinc/43/74/53/556437453.db2.gz RQYCMWDXHZYVRU-UHFFFAOYSA-N 0 3 439.581 3.161 50 0 IGAAHN CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1cccc(OC)c1OC)C2 ZINC000014748706 556442393 /nfs/dbraw/zinc/44/23/93/556442393.db2.gz ZQNOWMMGTLQTAY-SFHVURJKSA-N 0 3 426.561 3.193 50 0 IGAAHN CSc1ccc2cc(CN(C)Cc3nonc3C)c(=O)n(CCN3CCCC3)c2c1 ZINC000014995139 556477159 /nfs/dbraw/zinc/47/71/59/556477159.db2.gz CLKOREVSEJUPDT-UHFFFAOYSA-N 0 3 427.574 3.143 50 0 IGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN(C)Cc1ccncc1 ZINC000015067224 556493466 /nfs/dbraw/zinc/49/34/66/556493466.db2.gz KWCFBJACHCJNDP-XMMPIXPASA-N 0 3 438.616 3.325 50 0 IGAAHN CN(C)CCn1c2c3c(sc2c(=O)n(-c2cccc(Cl)c2)c1=O)CC(C)(C)OC3 ZINC000013593507 556531261 /nfs/dbraw/zinc/53/12/61/556531261.db2.gz CNKINZBIIFVVDT-UHFFFAOYSA-N 0 3 433.961 3.280 50 0 IGAAHN O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NC1CCN(Cc2ccccc2)CC1 ZINC000015679170 556543079 /nfs/dbraw/zinc/54/30/79/556543079.db2.gz SKOCJCCTXFMHMM-UHFFFAOYSA-N 0 3 449.507 3.368 50 0 IGAAHN O=C(CCN1CCC(NC(=O)c2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000011101335 556579642 /nfs/dbraw/zinc/57/96/42/556579642.db2.gz VJPNJRRNDNYANC-UHFFFAOYSA-N 0 3 434.540 3.036 50 0 IGAAHN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCCN2CCCCCC2)s1 ZINC000032995382 556610148 /nfs/dbraw/zinc/61/01/48/556610148.db2.gz NJQXWVHNVSSMLW-UHFFFAOYSA-N 0 3 429.590 3.414 50 0 IGAAHN COc1ccnc(N2CCN(C(=O)[C@@H]3CN(Cc4ccccc4)C[C@H]3C(F)(F)F)CC2)c1 ZINC000252584425 556691942 /nfs/dbraw/zinc/69/19/42/556691942.db2.gz AJNNWLJFALCNSV-WOJBJXKFSA-N 0 3 448.489 3.049 50 0 IGAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)ccc1O ZINC000137798018 556698366 /nfs/dbraw/zinc/69/83/66/556698366.db2.gz ZLIJLRZZUHFMRB-YTFSRNRJSA-N 0 3 446.459 3.461 50 0 IGAAHN CSc1cccc(NC(=O)C2CC(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)c1 ZINC000061718360 556724957 /nfs/dbraw/zinc/72/49/57/556724957.db2.gz FXZIYNVWNZZJAN-MRXNPFEDSA-N 0 3 436.493 3.021 50 0 IGAAHN O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCC(Cc2ccccc2)CC1 ZINC000057992252 556751159 /nfs/dbraw/zinc/75/11/59/556751159.db2.gz XXPGCOIBROTMEE-HHHXNRCGSA-N 0 3 446.595 3.485 50 0 IGAAHN Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000065362416 556834251 /nfs/dbraw/zinc/83/42/51/556834251.db2.gz MFVRLKOMMGAAET-UHFFFAOYSA-N 0 3 437.569 3.049 50 0 IGAAHN OCCn1ncc2c1CCC[C@@H]2NCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000062580278 556836038 /nfs/dbraw/zinc/83/60/38/556836038.db2.gz DHXNWRGGHDYEQW-QHCPKHFHSA-N 0 3 428.540 3.349 50 0 IGAAHN Nc1ncnc2c1=NC(SCc1nc3ccccc3c(=O)n1-c1ccccc1Cl)N=2 ZINC000096602608 556838015 /nfs/dbraw/zinc/83/80/15/556838015.db2.gz DRUVNSNILYGZBY-HXUWFJFHSA-N 0 3 435.900 3.018 50 0 IGAAHN Cc1cc(C)cc(N(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)c1 ZINC000067629549 556844953 /nfs/dbraw/zinc/84/49/53/556844953.db2.gz NVYFCWDIXAWAIS-UHFFFAOYSA-N 0 3 429.586 3.094 50 0 IGAAHN O=C(CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)NCCN1CCCC1 ZINC000033255185 556894787 /nfs/dbraw/zinc/89/47/87/556894787.db2.gz KSQPIOQCDSEGJM-UHFFFAOYSA-N 0 3 432.524 3.413 50 0 IGAAHN c1cc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc2c1OCC2 ZINC000019770587 556912810 /nfs/dbraw/zinc/91/28/10/556912810.db2.gz FJCXVTYIJPQXGJ-QHCPKHFHSA-N 0 3 435.568 3.132 50 0 IGAAHN NC(=O)CCN1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000019837878 556928856 /nfs/dbraw/zinc/92/88/56/556928856.db2.gz UJIQYQSMPGLNGO-UHFFFAOYSA-N 0 3 443.551 3.338 50 0 IGAAHN CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)c2)n1 ZINC000048301267 557062620 /nfs/dbraw/zinc/06/26/20/557062620.db2.gz YLJSHGDATJXTKI-FQEVSTJZSA-N 0 3 433.512 3.445 50 0 IGAAHN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000025461710 557211208 /nfs/dbraw/zinc/21/12/08/557211208.db2.gz CSKIVTYHSLMKQW-DEOSSOPVSA-N 0 3 432.568 3.168 50 0 IGAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2c3ccccc3nnc2-c2ccccc2)CC1 ZINC000032953208 557259204 /nfs/dbraw/zinc/25/92/04/557259204.db2.gz FEJMLLUJUZHQKH-UHFFFAOYSA-N 0 3 443.551 3.243 50 0 IGAAHN O=S(=O)([N-]CC1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Br)s1 ZINC000225574201 557394718 /nfs/dbraw/zinc/39/47/18/557394718.db2.gz GDRSQAVXHQUCCK-LBPRGKRZSA-N 0 3 425.439 3.006 50 0 IGAAHN CCc1ccc(NC(=O)CSc2nc(=O)n(CCN(CC)CC)c3c2CCC3)cc1 ZINC000004851749 557397071 /nfs/dbraw/zinc/39/70/71/557397071.db2.gz TUMNCFKUIBOPQI-UHFFFAOYSA-N 0 3 428.602 3.367 50 0 IGAAHN COc1ccc([C@@H]2[C@@H](COC(=O)CCn3cnc4ccccc4c3=O)CCCN2C)cc1 ZINC000106914063 557533567 /nfs/dbraw/zinc/53/35/67/557533567.db2.gz SBROSZQWWFPFKH-NTKDMRAZSA-N 0 3 435.524 3.422 50 0 IGAAHN COc1ccc(-c2n[nH]cc2CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000015074075 568635740 /nfs/dbraw/zinc/63/57/40/568635740.db2.gz XFDFUDQYBQYBSI-JOCHJYFZSA-N 0 3 426.561 3.373 50 0 IGAAHN O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NC1CCN(Cc2ccccc2)CC1 ZINC000015676869 568804382 /nfs/dbraw/zinc/80/43/82/568804382.db2.gz SRQLIGQHIYSNSW-UHFFFAOYSA-N 0 3 432.499 3.174 50 0 IGAAHN O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000225407346 568885232 /nfs/dbraw/zinc/88/52/32/568885232.db2.gz ALZOIYVVWPBNLY-UXHICEINSA-N 0 3 429.446 3.194 50 0 IGAAHN COc1ccc(OC)c(CNC(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)c1 ZINC000065255929 569122959 /nfs/dbraw/zinc/12/29/59/569122959.db2.gz QTAHINISSDTFNR-QFIPXVFZSA-N 0 3 432.524 3.180 50 0 IGAAHN O=C(NCCN1CCCCC1)c1ccn2c(c1)nnc2-c1ccccc1Br ZINC000065296588 569131618 /nfs/dbraw/zinc/13/16/18/569131618.db2.gz CMFLDANOUBNLFV-UHFFFAOYSA-N 0 3 428.334 3.375 50 0 IGAAHN COc1cc(OC)c(NC(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1Cl ZINC000036708089 569134895 /nfs/dbraw/zinc/13/48/95/569134895.db2.gz GCXLQLYAAGJILW-UHFFFAOYSA-N 0 3 434.928 3.289 50 0 IGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000065615082 569140282 /nfs/dbraw/zinc/14/02/82/569140282.db2.gz XNIMSJHXTWRPHL-FQEVSTJZSA-N 0 3 429.948 3.331 50 0 IGAAHN CN(C)CCNc1nc2nn(-c3cccc(F)c3)c(N)c2c(-c2ccc(F)cc2F)n1 ZINC000037359651 569181443 /nfs/dbraw/zinc/18/14/43/569181443.db2.gz PSKIDEWXERRJJB-UHFFFAOYSA-N 0 3 427.434 3.456 50 0 IGAAHN Cc1noc(CN2CCC(N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)CC2)n1 ZINC000252495248 569187932 /nfs/dbraw/zinc/18/79/32/569187932.db2.gz OOMJEPICJPGSAI-UHFFFAOYSA-N 0 3 425.455 3.300 50 0 IGAAHN COc1ccnc(N2CCN(C(=O)[C@H]3CN(Cc4ccccc4)C[C@H]3C(F)(F)F)CC2)c1 ZINC000252584424 569191159 /nfs/dbraw/zinc/19/11/59/569191159.db2.gz AJNNWLJFALCNSV-VQTJNVASSA-N 0 3 448.489 3.049 50 0 IGAAHN COCCN(C[C@@H]1CN(Cc2ccccc2F)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000037524147 569198474 /nfs/dbraw/zinc/19/84/74/569198474.db2.gz UMKHRNCSXVCCLL-RBBKRZOGSA-N 0 3 432.511 3.302 50 0 IGAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)COc4ccc(F)cc4)CC3)C2)CC1 ZINC000581819777 569211572 /nfs/dbraw/zinc/21/15/72/569211572.db2.gz KHBCGOCZCKSBEH-QFIPXVFZSA-N 0 3 447.595 3.018 50 0 IGAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)NCCc4ccccc4)CC3)C2)CC1 ZINC000581820080 569211786 /nfs/dbraw/zinc/21/17/86/569211786.db2.gz QGQCHPKOMKOUEN-XMMPIXPASA-N 0 3 442.648 3.226 50 0 IGAAHN O=C(CC1CCCC1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581820068 569211818 /nfs/dbraw/zinc/21/18/18/569211818.db2.gz PYWKDRCKROHFKK-JOCHJYFZSA-N 0 3 426.605 3.324 50 0 IGAAHN C[C@H]1CN(CCC2CCN(C(=O)CCC(=O)N3CCc4sccc4C3)CC2)C[C@H](C)O1 ZINC000079022405 569322553 /nfs/dbraw/zinc/32/25/53/569322553.db2.gz XIOCDFYSLPYOEZ-OALUTQOASA-N 0 3 447.645 3.151 50 0 IGAAHN COc1ccc(CNC(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)cc1OC ZINC000079064545 569324265 /nfs/dbraw/zinc/32/42/65/569324265.db2.gz PARKTCDVKLRNGE-UHFFFAOYSA-N 0 3 431.508 3.186 50 0 IGAAHN COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000225687550 569407213 /nfs/dbraw/zinc/40/72/13/569407213.db2.gz FAYYNXLAAPBIAF-JOCHJYFZSA-N 0 3 429.520 3.119 50 0 IGAAHN O=C(c1ccn(COc2ccc(Br)cc2Cl)n1)N1CCN2CCC[C@@H]2C1 ZINC000002798304 569422116 /nfs/dbraw/zinc/42/21/16/569422116.db2.gz OSKWKJWEWIOSDZ-CQSZACIVSA-N 0 3 439.741 3.256 50 0 IGAAHN O=C(c1ccn(COc2ccc(Br)cc2Cl)n1)N1CCN2CCC[C@H]2C1 ZINC000002798303 569422168 /nfs/dbraw/zinc/42/21/68/569422168.db2.gz OSKWKJWEWIOSDZ-AWEZNQCLSA-N 0 3 439.741 3.256 50 0 IGAAHN O=C(CSc1nnnn1C1CC1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057315401 569430947 /nfs/dbraw/zinc/43/09/47/569430947.db2.gz CQUHSRCWHSSKDC-UHFFFAOYSA-N 0 3 449.584 3.061 50 0 IGAAHN CCN(CC)CCOC(=O)/C=C(\NC(=O)c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000004184215 569460746 /nfs/dbraw/zinc/46/07/46/569460746.db2.gz WAKSFTTZFZUXGJ-JZJYNLBNSA-N 0 3 426.513 3.360 50 0 IGAAHN Cc1ccc2nsnc2c1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008867201 569480244 /nfs/dbraw/zinc/48/02/44/569480244.db2.gz ZYMOPYQZMQNHRK-UHFFFAOYSA-N 0 3 432.615 3.275 50 0 IGAAHN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000039969264 569482108 /nfs/dbraw/zinc/48/21/08/569482108.db2.gz TYNLEUMXXPEEOS-LJQANCHMSA-N 0 3 426.590 3.325 50 0 IGAAHN CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000040146933 569492349 /nfs/dbraw/zinc/49/23/49/569492349.db2.gz PFZLKSJONYGKTD-QFIPXVFZSA-N 0 3 443.613 3.188 50 0 IGAAHN C[C@@H]1CN(C(=O)C2CCN(CCOc3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000069373780 569503245 /nfs/dbraw/zinc/50/32/45/569503245.db2.gz NUQZXAOKJPEVCN-HZPDHXFCSA-N 0 3 425.367 3.176 50 0 IGAAHN C[C@H](C(=O)NCCN1CCCC1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 ZINC000009667321 569557793 /nfs/dbraw/zinc/55/77/93/569557793.db2.gz WVYMBFDQWVWNHZ-HOYKHHGWSA-N 0 3 430.552 3.324 50 0 IGAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc1=O)CCC2 ZINC000009745302 569565629 /nfs/dbraw/zinc/56/56/29/569565629.db2.gz BAMHFLNRJSEDHX-UHFFFAOYSA-N 0 3 440.491 3.043 50 0 IGAAHN COc1ccc(CN2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c(OC)c1 ZINC000004703388 132272729 /nfs/dbraw/zinc/27/27/29/132272729.db2.gz YAWSUZPCGZHCER-UHFFFAOYSA-N 0 3 425.573 3.499 50 0 IGAAHN CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)Cn3cnc4ccccc4c3=O)C2)cc1 ZINC000012466344 519436070 /nfs/dbraw/zinc/43/60/70/519436070.db2.gz MBCGJBDEDNSMBM-JOCHJYFZSA-N 0 3 432.568 3.376 50 0 IGAAHN CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1=O ZINC000012183796 520690173 /nfs/dbraw/zinc/69/01/73/520690173.db2.gz GMXGFIMNNUKKBJ-LJQANCHMSA-N 0 3 444.620 3.297 50 0 IGAAHN CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CC[C@H](N(CC)CC)C2)c1=O ZINC000014954264 520690347 /nfs/dbraw/zinc/69/03/47/520690347.db2.gz ZUALUTQUDIQADJ-FQEVSTJZSA-N 0 3 444.620 3.440 50 0 IGAAHN CCOc1cc(CNCCOCCO)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040742331 520716571 /nfs/dbraw/zinc/71/65/71/520716571.db2.gz XQKAEXGVAHGNEU-UHFFFAOYSA-N 0 3 436.936 3.163 50 0 IGAAHN CCN1CCN(Cc2ccc(NC(=O)Cc3nc(-c4ccc(OC)cc4)no3)cc2)CC1 ZINC000020516060 521688034 /nfs/dbraw/zinc/68/80/34/521688034.db2.gz OQHVSOICHDCRCX-UHFFFAOYSA-N 0 3 435.528 3.064 50 0 IGAAHN CN(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021864528 521756797 /nfs/dbraw/zinc/75/67/97/521756797.db2.gz SDYMFHQLNDKHES-XMMPIXPASA-N 0 3 426.561 3.363 50 0 IGAAHN CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000012678517 522007204 /nfs/dbraw/zinc/00/72/04/522007204.db2.gz UHIBURWNOXWVNJ-ZGSOLVRCSA-N 0 3 441.597 3.118 50 0 IGAAHN CCc1nc(C)c(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)[nH]1 ZINC000012317490 522202607 /nfs/dbraw/zinc/20/26/07/522202607.db2.gz AAERKUCTUMAOFQ-UHFFFAOYSA-N 0 3 448.011 3.269 50 0 IGAAHN COc1cc(CN2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc(OC)c1 ZINC000012100039 522369956 /nfs/dbraw/zinc/36/99/56/522369956.db2.gz FTRNQFGMMUEVCY-RUZDIDTESA-N 0 3 437.540 3.127 50 0 IGAAHN CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1 ZINC000020776764 523929520 /nfs/dbraw/zinc/92/95/20/523929520.db2.gz NACKFEXJLPMQNU-IBGZPJMESA-N 0 3 433.556 3.155 50 0 IGAAHN COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)C(=O)c2ccccc2)C1 ZINC000012442920 524449493 /nfs/dbraw/zinc/44/94/93/524449493.db2.gz UGPLNUPTUWSFIN-OAQYLSRUSA-N 0 3 437.584 3.180 50 0 IGAAHN Cc1ccccc1-c1cccc(CN2CCC(n3cc(C(=O)NCCCO)nn3)CC2)c1 ZINC000012150510 525005149 /nfs/dbraw/zinc/00/51/49/525005149.db2.gz GKIUELHDMBFDHV-UHFFFAOYSA-N 0 3 433.556 3.203 50 0 IGAAHN COc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)N(C)C)cc1 ZINC000012804997 525358264 /nfs/dbraw/zinc/35/82/64/525358264.db2.gz NYTAGLIDDRBBEU-QHCPKHFHSA-N 0 3 442.519 3.427 50 0 IGAAHN Cc1cccn2c(CN3CCC(N4CCSCC4)CC3)c(C(=O)N3CCCCC3)nc12 ZINC000020534134 525462022 /nfs/dbraw/zinc/46/20/22/525462022.db2.gz WGAODUYWQOZDJC-UHFFFAOYSA-N 0 3 441.645 3.282 50 0 IGAAHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)N3CCCCC3)CC2)cc1C ZINC000012760560 525518736 /nfs/dbraw/zinc/51/87/36/525518736.db2.gz CILKAOBBELNTPG-UHFFFAOYSA-N 0 3 435.634 3.085 50 0 IGAAHN C[C@H](C(=O)NCCN1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000035459847 526048513 /nfs/dbraw/zinc/04/85/13/526048513.db2.gz UEMWTYWHTUREFA-HNNXBMFYSA-N 0 3 448.054 3.040 50 0 IGAAHN Cc1ccc2[nH]c3c(ncn(CCC(=O)NC4CCN(Cc5ccccc5)CC4)c3=O)c2c1 ZINC000035423964 526110833 /nfs/dbraw/zinc/11/08/33/526110833.db2.gz WSYATMLUPXPCBM-UHFFFAOYSA-N 0 3 443.551 3.357 50 0 IGAAHN C[C@H]1CCCCN1CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000012514497 526248201 /nfs/dbraw/zinc/24/82/01/526248201.db2.gz SZNAUUJLMQSIPN-KRWDZBQOSA-N 0 3 432.590 3.162 50 0 IGAAHN O=C(CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020774629 526553734 /nfs/dbraw/zinc/55/37/34/526553734.db2.gz SIHPPDWGBBQTLS-NRFANRHFSA-N 0 3 449.599 3.264 50 0 IGAAHN O=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)NCCN1CCCCC1 ZINC000020565296 527235327 /nfs/dbraw/zinc/23/53/27/527235327.db2.gz TXAHMBOEMMGCKQ-UHFFFAOYSA-N 0 3 439.585 3.370 50 0 IGAAHN OCCOc1ccc(CN2CCC[C@@H](c3ccnc(SCCN4CCCC4)n3)C2)cc1 ZINC000012197460 527558643 /nfs/dbraw/zinc/55/86/43/527558643.db2.gz BGYXIDSLXSUJKM-OAQYLSRUSA-N 0 3 442.629 3.415 50 0 IGAAHN CCN1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2cccc(C)c2)[C@@H](C)CO3)CC1 ZINC000046159057 555798105 /nfs/dbraw/zinc/79/81/05/555798105.db2.gz QSMOJRSXTBXZLA-NRFANRHFSA-N 0 3 436.600 3.150 50 0 IGAAHN CC(C)OC[C@@H](O)CN1CCCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1 ZINC000034682260 555816097 /nfs/dbraw/zinc/81/60/97/555816097.db2.gz GQEBOQIREJVUIM-SRLUVNLFSA-N 0 3 438.572 3.032 50 0 IGAAHN CC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C ZINC000034830263 555911764 /nfs/dbraw/zinc/91/17/64/555911764.db2.gz JPBSWCCJEULJAV-KOSHJBKYSA-N 0 3 425.598 3.473 50 0 IGAAHN CC1CCC2(CC1)OC[C@H](C(=O)N(C)C1CCN(C)CC1)N2C(=O)c1ccc(F)cc1 ZINC000034920343 555931186 /nfs/dbraw/zinc/93/11/86/555931186.db2.gz QLPCBLWXQZZIOW-SSSUMRQXSA-N 0 3 431.552 3.126 50 0 IGAAHN COc1cccc(-c2cc(C(=O)N(CCC(=O)NCCN3CCCC3)CC(C)C)no2)c1 ZINC000034922630 555932946 /nfs/dbraw/zinc/93/29/46/555932946.db2.gz VUWWOWAILBWLRF-UHFFFAOYSA-N 0 3 442.560 3.051 50 0 IGAAHN CN(C(=O)CC[C@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1)C1CCN(C)CC1 ZINC000011662704 556343970 /nfs/dbraw/zinc/34/39/70/556343970.db2.gz WFURYAAQCULXPC-HXUWFJFHSA-N 0 3 427.589 3.221 50 0 IGAAHN Cc1cccn2c(CNCCN3CCCCC3=O)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000011663737 556344672 /nfs/dbraw/zinc/34/46/72/556344672.db2.gz YZMCMGILMULKRU-UHFFFAOYSA-N 0 3 447.583 3.060 50 0 IGAAHN COc1ccc(CN(C)Cc2nc3ccccc3[nH]2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000011664569 556345112 /nfs/dbraw/zinc/34/51/12/556345112.db2.gz MBFNWWLKOYYCLV-FQEVSTJZSA-N 0 3 438.572 3.429 50 0 IGAAHN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](CN(C)C)c3ccccc3)cc2)C1 ZINC000032781266 556349370 /nfs/dbraw/zinc/34/93/70/556349370.db2.gz GZQCLGVCFDRLAR-AVRDEDQJSA-N 0 3 429.586 3.140 50 0 IGAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H]1CC(C(C)C)=NO1 ZINC000011844255 556367184 /nfs/dbraw/zinc/36/71/84/556367184.db2.gz WZOAJJMQJRZVJP-HSZRJFAPSA-N 0 3 431.577 3.183 50 0 IGAAHN COCCN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(-c3cccc(Cl)c3)o1)CC2 ZINC000014539179 556424602 /nfs/dbraw/zinc/42/46/02/556424602.db2.gz ZGQHXTRMXBNRMW-UHFFFAOYSA-N 0 3 431.920 3.475 50 0 IGAAHN Cc1ccc(F)cc1CN[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000014543454 556426457 /nfs/dbraw/zinc/42/64/57/556426457.db2.gz RGQVSISNVHWFJX-FQEVSTJZSA-N 0 3 428.552 3.106 50 0 IGAAHN COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cccs1)CC2 ZINC000014733124 556437512 /nfs/dbraw/zinc/43/75/12/556437512.db2.gz SNLZXWSUQUIAJV-UHFFFAOYSA-N 0 3 442.585 3.021 50 0 IGAAHN CCc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 ZINC000014881747 556453917 /nfs/dbraw/zinc/45/39/17/556453917.db2.gz KIJDPPWAZCKQKT-QHCPKHFHSA-N 0 3 432.572 3.421 50 0 IGAAHN CCN(CC)[C@@H]1CCN(C(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)C1 ZINC000014976575 556468987 /nfs/dbraw/zinc/46/89/87/556468987.db2.gz XLGDSXDFEWWTMV-HXUWFJFHSA-N 0 3 442.604 3.050 50 0 IGAAHN CC1CCN([C@@H](CNC(=O)NCc2ccnc(N3CCOCC3)c2)c2cccs2)CC1 ZINC000029323694 556472336 /nfs/dbraw/zinc/47/23/36/556472336.db2.gz BQYKCJUOFIPLPF-FQEVSTJZSA-N 0 3 443.617 3.252 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)CCn3cnc4sc(C)c(C)c4c3=O)cc2)CC1 ZINC000029798838 556483120 /nfs/dbraw/zinc/48/31/20/556483120.db2.gz QUJNYHGOUUOLLR-UHFFFAOYSA-N 0 3 439.585 3.246 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)COc1ccc2c(c1)occ(-c1ccc(OC)cc1)c2=O ZINC000013550175 556514930 /nfs/dbraw/zinc/51/49/30/556514930.db2.gz KKQMJJLROBQJSM-SFHVURJKSA-N 0 3 436.508 3.448 50 0 IGAAHN CSc1cccc(NC(=O)[C@@H](C)N2CCN(c3ccccc3OCCN(C)C)CC2)c1 ZINC000072308422 556566570 /nfs/dbraw/zinc/56/65/70/556566570.db2.gz YYPAOGYLXJWDAE-LJQANCHMSA-N 0 3 442.629 3.498 50 0 IGAAHN O=C1C[C@@H](NC2CCN(c3ncc(Cl)cc3Cl)CC2)C(=O)N1c1ccc(F)cc1 ZINC000018144341 556684978 /nfs/dbraw/zinc/68/49/78/556684978.db2.gz BMSCKVPKDKRVPK-QGZVFWFLSA-N 0 3 437.302 3.418 50 0 IGAAHN CCN(CC)CC(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055061066 556733659 /nfs/dbraw/zinc/73/36/59/556733659.db2.gz CAOBXIRMXXWLML-HXUWFJFHSA-N 0 3 426.527 3.160 50 0 IGAAHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)CCCc2nnc(-c3ccccc3)o2)C1 ZINC000078720383 556735274 /nfs/dbraw/zinc/73/52/74/556735274.db2.gz SNUBGPLTFNXMPJ-FQEVSTJZSA-N 0 3 447.539 3.395 50 0 IGAAHN O=C(CC[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)N1CCN(c2ccccn2)CC1 ZINC000067789875 556846696 /nfs/dbraw/zinc/84/66/96/556846696.db2.gz APOAINWQWNIOEO-OAQYLSRUSA-N 0 3 434.584 3.358 50 0 IGAAHN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCN(C)Cc4ccccc4)C3)n2)cc1 ZINC000033249503 556889357 /nfs/dbraw/zinc/88/93/57/556889357.db2.gz RSXBUYYUFDIUSW-OAQYLSRUSA-N 0 3 449.555 3.210 50 0 IGAAHN COc1cc(CN2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc(OC)c1 ZINC000020119242 556987561 /nfs/dbraw/zinc/98/75/61/556987561.db2.gz LRVCLHASEWZTEJ-NRFANRHFSA-N 0 3 425.573 3.499 50 0 IGAAHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000097165577 556994812 /nfs/dbraw/zinc/99/48/12/556994812.db2.gz JOYHCELMEHETOB-HZPDHXFCSA-N 0 3 448.955 3.285 50 0 IGAAHN O=C1NC2(CCCCC2)C(=O)N1CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023257168 557079535 /nfs/dbraw/zinc/07/95/35/557079535.db2.gz CEEFILADUBJPHI-UHFFFAOYSA-N 0 3 438.494 3.425 50 0 IGAAHN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000025053708 557191748 /nfs/dbraw/zinc/19/17/48/557191748.db2.gz KSAMFPBYTITWQT-UHFFFAOYSA-N 0 3 436.604 3.451 50 0 IGAAHN CN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027299521 557259686 /nfs/dbraw/zinc/25/96/86/557259686.db2.gz XHFKNXVRJYQGMX-UHFFFAOYSA-N 0 3 433.430 3.097 50 0 IGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000229983994 557834728 /nfs/dbraw/zinc/83/47/28/557834728.db2.gz UVOPOOFLTDESHU-YTFSRNRJSA-N 0 3 446.459 3.461 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccccc2Cl)N2CCCC2)cc1 ZINC000009583789 562973556 /nfs/dbraw/zinc/97/35/56/562973556.db2.gz RCJCTDFJMKIKQX-OAQYLSRUSA-N 0 3 429.948 3.422 50 0 IGAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(F)c(F)c3)nc1=O)CCC2 ZINC000009745693 562976531 /nfs/dbraw/zinc/97/65/31/562976531.db2.gz ZQGGQFGMKPVGLS-UHFFFAOYSA-N 0 3 436.528 3.083 50 0 IGAAHN CC(=O)C1[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000001105692 568660607 /nfs/dbraw/zinc/66/06/07/568660607.db2.gz FFOUXBGFXPURFH-QFUCXCTJSA-N 0 3 444.413 3.349 50 0 IGAAHN Clc1ccccc1Cn1nc(CNCCCN2CCOCC2)c(-c2ccccc2)n1 ZINC000261491753 568734352 /nfs/dbraw/zinc/73/43/52/568734352.db2.gz HJIIZPRVMSEJNW-UHFFFAOYSA-N 0 3 425.964 3.459 50 0 IGAAHN CN(C)CCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2F)n1 ZINC000036068691 568945233 /nfs/dbraw/zinc/94/52/33/568945233.db2.gz WTVFEFRFGLZOSS-UHFFFAOYSA-N 0 3 428.483 3.447 50 0 IGAAHN CC[C@H](C(=O)NCCN(C)Cc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839446 568969775 /nfs/dbraw/zinc/96/97/75/568969775.db2.gz KBJCMQXGHVDIOJ-OAQYLSRUSA-N 0 3 431.540 3.088 50 0 IGAAHN CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NCCCN4CCN(C)CC4)cc3)ccc21 ZINC000065026931 569090019 /nfs/dbraw/zinc/09/00/19/569090019.db2.gz PBBZREWSHDJXPD-UHFFFAOYSA-N 0 3 448.611 3.266 50 0 IGAAHN CCc1nc2c(c(=O)n1CC(=O)NCCCc1ccccc1)CN(Cc1ccccc1)CC2 ZINC000065153563 569111993 /nfs/dbraw/zinc/11/19/93/569111993.db2.gz LJYGEBLAPDEJMY-UHFFFAOYSA-N 0 3 444.579 3.113 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2cncnc2N2CCCC2)CC1 ZINC000065226300 569117902 /nfs/dbraw/zinc/11/79/02/569117902.db2.gz JADACJQOPPVAOI-UHFFFAOYSA-N 0 3 448.615 3.074 50 0 IGAAHN COc1ccc(CNC(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)c(OC)c1 ZINC000065256262 569123114 /nfs/dbraw/zinc/12/31/14/569123114.db2.gz CXZHCBCYHGSFKE-JOCHJYFZSA-N 0 3 432.524 3.180 50 0 IGAAHN Cn1c(CNC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)nc2ccccc21 ZINC000065256018 569123181 /nfs/dbraw/zinc/12/31/81/569123181.db2.gz IOPUUFGLFFMLBG-OAQYLSRUSA-N 0 3 426.524 3.049 50 0 IGAAHN CC(=O)N1CCN(C(=O)CN(CC(C)C)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000170601222 569143098 /nfs/dbraw/zinc/14/30/98/569143098.db2.gz FIHIJDKSHDXGCA-UHFFFAOYSA-N 0 3 438.410 3.333 50 0 IGAAHN Cc1nc(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1-c1ccccc1C(C)C ZINC000170601445 569143016 /nfs/dbraw/zinc/14/30/16/569143016.db2.gz SPJMWKZMHKXNQA-SANMLTNESA-N 0 3 447.583 3.408 50 0 IGAAHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCc1ccccc1C ZINC000089689358 569161377 /nfs/dbraw/zinc/16/13/77/569161377.db2.gz HKCXBSPSJVYGCP-JOCHJYFZSA-N 0 3 431.540 3.202 50 0 IGAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)CC1 ZINC000581820123 569211789 /nfs/dbraw/zinc/21/17/89/569211789.db2.gz SRTDKZJYQCYNLK-DEOSSOPVSA-N 0 3 427.633 3.433 50 0 IGAAHN COCCN(C[C@H]1CN(Cc2cccc(OC)c2)C[C@H]1c1cccc(OC)c1)C(C)=O ZINC000253388878 569264292 /nfs/dbraw/zinc/26/42/92/569264292.db2.gz UUXWJLWDEHYVND-RDGATRHJSA-N 0 3 426.557 3.414 50 0 IGAAHN COc1ccc([C@H](CNC(=O)CCc2nc3cc(Br)cnc3[nH]2)N(C)C)cc1 ZINC000079495708 569331553 /nfs/dbraw/zinc/33/15/53/569331553.db2.gz MBSGNCXEMCXITN-KRWDZBQOSA-N 0 3 446.349 3.081 50 0 IGAAHN CCN1CCN(CCCNC(=O)C2CCN(c3nc4c(cc(C)cc4C)s3)CC2)CC1 ZINC000020383737 569362783 /nfs/dbraw/zinc/36/27/83/569362783.db2.gz QJNPDUQSFQEPNE-UHFFFAOYSA-N 0 3 443.661 3.273 50 0 IGAAHN CCN1CCC[C@H](NC(=O)c2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2OC)C1 ZINC000096579998 569401507 /nfs/dbraw/zinc/40/15/07/569401507.db2.gz WPMGMASFWWCSLI-SFHVURJKSA-N 0 3 445.585 3.043 50 0 IGAAHN CCN1CCC[C@@H](NC(=O)c2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2OC)C1 ZINC000096580000 569401554 /nfs/dbraw/zinc/40/15/54/569401554.db2.gz WPMGMASFWWCSLI-GOSISDBHSA-N 0 3 445.585 3.043 50 0 IGAAHN CC(C)[C@H](NC(=O)CN1CCC[C@@H](Cc2nccn2C)C1)c1ccc2c(c1)OCCCO2 ZINC000230128098 569438829 /nfs/dbraw/zinc/43/88/29/569438829.db2.gz RSQXAORWXFWUKL-DFBJGRDBSA-N 0 3 440.588 3.349 50 0 IGAAHN Cc1ccccc1CN1CCN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000058155196 569448906 /nfs/dbraw/zinc/44/89/06/569448906.db2.gz CXAMPECQCZEPTM-UHFFFAOYSA-N 0 3 438.641 3.300 50 0 IGAAHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cc(F)cc(Br)c1 ZINC000058161582 569449223 /nfs/dbraw/zinc/44/92/23/569449223.db2.gz SYHWHSVPRXXGOY-QGZVFWFLSA-N 0 3 429.330 3.468 50 0 IGAAHN C[C@H](C(=O)NCCN1CCCC1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 ZINC000009667319 569557780 /nfs/dbraw/zinc/55/77/80/569557780.db2.gz WVYMBFDQWVWNHZ-KOSHJBKYSA-N 0 3 430.552 3.324 50 0 IGAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(F)cc3F)nc1=O)CCC2 ZINC000009745605 569565637 /nfs/dbraw/zinc/56/56/37/569565637.db2.gz ZSYARTMVFNGKMU-UHFFFAOYSA-N 0 3 436.528 3.083 50 0 IGAAHN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(CCn2ccnc2-c2ccccc2)CC1 ZINC000077158678 569585746 /nfs/dbraw/zinc/58/57/46/569585746.db2.gz HRZDDHJHZGNKLP-UHFFFAOYSA-N 0 3 432.553 3.460 50 0 IGAAHN CC(=O)N1CCCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1 ZINC000012760134 519527581 /nfs/dbraw/zinc/52/75/81/519527581.db2.gz OKVINDQSWCANTM-UHFFFAOYSA-N 0 3 449.595 3.467 50 0 IGAAHN CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCC(C)(C)CN(C)C)c1=O ZINC000012328532 519708699 /nfs/dbraw/zinc/70/86/99/519708699.db2.gz GRNUUWVWXUKVDR-UHFFFAOYSA-N 0 3 432.609 3.009 50 0 IGAAHN COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CCN(C[C@H]1CC=CCC1)CC2 ZINC000012099373 522016314 /nfs/dbraw/zinc/01/63/14/522016314.db2.gz IFIJDAUNYOLVQH-FQEVSTJZSA-N 0 3 447.579 3.270 50 0 IGAAHN CCc1nccn1CCC(=O)N1CC[C@@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2 ZINC000012442596 522583876 /nfs/dbraw/zinc/58/38/76/522583876.db2.gz HZIFJVACRVWGST-DEOSSOPVSA-N 0 3 428.552 3.498 50 0 IGAAHN CO[C@@H]1CCCN(C(=O)C2CCN(C3CCN(c4nc5ccccc5o4)CC3)CC2)C1 ZINC000020537220 523585862 /nfs/dbraw/zinc/58/58/62/523585862.db2.gz VCBXJUOATDFGLI-HXUWFJFHSA-N 0 3 426.561 3.146 50 0 IGAAHN CCc1ccc([C@@H](CNC(=O)CCc2c(C)nc3nc(SC)nn3c2C)N(C)C)cc1 ZINC000012917237 524029344 /nfs/dbraw/zinc/02/93/44/524029344.db2.gz HOGFIWQWDKOAKV-HXUWFJFHSA-N 0 3 440.617 3.377 50 0 IGAAHN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN(C)CCN1CCc2ccccc2C1 ZINC000020863753 524031913 /nfs/dbraw/zinc/03/19/13/524031913.db2.gz GGEZVGAPHZYPEV-UHFFFAOYSA-N 0 3 425.964 3.180 50 0 IGAAHN Cc1cc(C)n(CCC(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000012477731 524515408 /nfs/dbraw/zinc/51/54/08/524515408.db2.gz CYHFQIBFNIRGFI-QFIPXVFZSA-N 0 3 443.611 3.332 50 0 IGAAHN Cc1ccnc(N2CCC(C(=O)NCC3CCN(Cc4ccccc4F)CC3)CC2)n1 ZINC000035454470 525665013 /nfs/dbraw/zinc/66/50/13/525665013.db2.gz ZCDDAZKUHQZIAF-UHFFFAOYSA-N 0 3 425.552 3.169 50 0 IGAAHN O=C1c2cccc(N3CCN(CCCc4ccccc4)CC3)c2C(=O)N1C[C@@H]1CCCO1 ZINC000012727969 527126043 /nfs/dbraw/zinc/12/60/43/527126043.db2.gz RAYUZAMPKHNJLD-NRFANRHFSA-N 0 3 433.552 3.216 50 0 IGAAHN O=S(=O)(c1cccc(-c2nnc(SCCN3CCCCC3)o2)c1)N1CCCCC1 ZINC000012691975 527283843 /nfs/dbraw/zinc/28/38/43/527283843.db2.gz ITHAUHHTKWGQDH-UHFFFAOYSA-N 0 3 436.603 3.489 50 0 IGAAHN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1CCN(c2ccncc2)CC1 ZINC000012795885 527406363 /nfs/dbraw/zinc/40/63/63/527406363.db2.gz HVBJCHQRZCSTAZ-UHFFFAOYSA-N 0 3 449.511 3.008 50 0 IGAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(OC)cc2OC)C1=O ZINC000002212207 535549906 /nfs/dbraw/zinc/54/99/06/535549906.db2.gz JCXABLFQZDFOLD-GFXBCDTMSA-N 0 3 435.524 3.306 50 0 IGAAHN CC(C)OC[C@H](O)CN1CCCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1 ZINC000034682259 555816063 /nfs/dbraw/zinc/81/60/63/555816063.db2.gz GQEBOQIREJVUIM-JYLQPTBZSA-N 0 3 438.572 3.032 50 0 IGAAHN COC(=O)c1sc(NC(=S)N2CCN(C3CCCCC3)CC2)c(C(=O)OC)c1C ZINC000004482030 555996961 /nfs/dbraw/zinc/99/69/61/555996961.db2.gz BQXUSOUIVRUZKS-UHFFFAOYSA-N 0 3 439.603 3.277 50 0 IGAAHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CN(C)C)c3ccccc3)CC2)cc1C ZINC000032772449 556335152 /nfs/dbraw/zinc/33/51/52/556335152.db2.gz WFEICQIXCQOGGU-QHCPKHFHSA-N 0 3 443.613 3.123 50 0 IGAAHN COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000011783122 556351484 /nfs/dbraw/zinc/35/14/84/556351484.db2.gz XBYVXOOZYCDXFS-SFHVURJKSA-N 0 3 445.567 3.121 50 0 IGAAHN CN(C)Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000032795676 556357821 /nfs/dbraw/zinc/35/78/21/556357821.db2.gz XARPHBSKSNKWSX-KRWDZBQOSA-N 0 3 430.346 3.180 50 0 IGAAHN COc1cccc(CCNc2ncnc3sc(C(=O)N4CC[C@H](N(C)C)C4)c(C)c32)c1 ZINC000012049220 556391886 /nfs/dbraw/zinc/39/18/86/556391886.db2.gz OJNHZSZQHYFCHW-KRWDZBQOSA-N 0 3 439.585 3.439 50 0 IGAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc(OC)nc4OC)C3)C2)c1 ZINC000012076844 556398032 /nfs/dbraw/zinc/39/80/32/556398032.db2.gz GJFAGBMIHPXPFZ-XMMPIXPASA-N 0 3 425.529 3.236 50 0 IGAAHN COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(CC=C(C)C)CC2 ZINC000014741097 556438832 /nfs/dbraw/zinc/43/88/32/556438832.db2.gz ZVKFKBDCUDPSPT-UHFFFAOYSA-N 0 3 429.561 3.297 50 0 IGAAHN COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014747842 556442371 /nfs/dbraw/zinc/44/23/71/556442371.db2.gz GEXNVYPDGSODES-UHFFFAOYSA-N 0 3 442.585 3.021 50 0 IGAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cc3ccccc3o1)CC2 ZINC000014754657 556444766 /nfs/dbraw/zinc/44/47/66/556444766.db2.gz HZIWDVRXYLOCSU-UHFFFAOYSA-N 0 3 448.523 3.273 50 0 IGAAHN COCc1ccc(C(=O)NCc2nnc3n2CCN(C[C@@H](C)CCC=C(C)C)CC3)o1 ZINC000014988913 556474030 /nfs/dbraw/zinc/47/40/30/556474030.db2.gz FQIQFKBRFOAELE-SFHVURJKSA-N 0 3 429.565 3.188 50 0 IGAAHN COc1ccccc1CN(C)Cc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1 ZINC000015077068 556499563 /nfs/dbraw/zinc/49/95/63/556499563.db2.gz KRZFYQHSZYVJBB-OAQYLSRUSA-N 0 3 446.613 3.124 50 0 IGAAHN C[C@@H]1CN(C(=O)c2nc3sccn3c2CNCCn2ccc3ccccc32)C[C@H](C)O1 ZINC000015078480 556499981 /nfs/dbraw/zinc/49/99/81/556499981.db2.gz CYFOVSRAECEFCL-CALCHBBNSA-N 0 3 437.569 3.390 50 0 IGAAHN O=C(Nc1cccc(CNC[C@H]([C@@H]2CCOC2)N2CCOCC2)c1)c1ccccc1Cl ZINC000030665868 556501422 /nfs/dbraw/zinc/50/14/22/556501422.db2.gz WXEXKFCMHZJHBU-AUSIDOKSSA-N 0 3 443.975 3.419 50 0 IGAAHN O=c1c2c(nc3sc(SCc4ccncc4)nn31)CCN(CCc1ccccc1)C2 ZINC000015414150 556526456 /nfs/dbraw/zinc/52/64/56/556526456.db2.gz WDMIJBSHZGYABG-UHFFFAOYSA-N 0 3 435.578 3.439 50 0 IGAAHN Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCN3CCCCCC3)s2)cc1 ZINC000032987097 556606911 /nfs/dbraw/zinc/60/69/11/556606911.db2.gz DNWOWFYPMBFVOE-UHFFFAOYSA-N 0 3 447.630 3.324 50 0 IGAAHN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCCN3CCCCCC3)s2)cc1 ZINC000032987814 556608213 /nfs/dbraw/zinc/60/82/13/556608213.db2.gz WFNGCVSLLKDCMO-UHFFFAOYSA-N 0 3 445.589 3.114 50 0 IGAAHN COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016750773 556637411 /nfs/dbraw/zinc/63/74/11/556637411.db2.gz WSZBRUGBGLBDEK-NRFANRHFSA-N 0 3 434.492 3.385 50 0 IGAAHN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000019372132 556748627 /nfs/dbraw/zinc/74/86/27/556748627.db2.gz MJFSYSVXRLDDCT-UHFFFAOYSA-N 0 3 430.524 3.373 50 0 IGAAHN O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000061721564 556811221 /nfs/dbraw/zinc/81/12/21/556811221.db2.gz BRCFUMOORWWPRK-UHFFFAOYSA-N 0 3 436.943 3.345 50 0 IGAAHN CN1CCCN(c2ccc(CNC(=O)Cc3csc(Cc4ccccc4)n3)cn2)CC1 ZINC000048236068 557047240 /nfs/dbraw/zinc/04/72/40/557047240.db2.gz JOJHEJCMENKGAU-UHFFFAOYSA-N 0 3 435.597 3.130 50 0 IGAAHN Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)c1 ZINC000023129719 557066258 /nfs/dbraw/zinc/06/62/58/557066258.db2.gz IEFVMUWWAFLYNX-MRXNPFEDSA-N 0 3 425.483 3.414 50 0 IGAAHN COc1cc(CNCCCN2CCN(C(=O)OC(C)(C)C)CC2)cc(Cl)c1OC ZINC000048313753 557067473 /nfs/dbraw/zinc/06/74/73/557067473.db2.gz DOVDCVLZHBYGGM-UHFFFAOYSA-N 0 3 427.973 3.390 50 0 IGAAHN O=S(=O)(c1ccc(N2CCN(Cc3cccc4ccccc43)CC2)nc1)N1CCCC1 ZINC000023908111 557124710 /nfs/dbraw/zinc/12/47/10/557124710.db2.gz ZTMNVIBSFAEBGE-UHFFFAOYSA-N 0 3 436.581 3.342 50 0 IGAAHN CCN(CC)c1cc(COC)nc(SCc2cccc(C(=O)NCCN(C)C)c2)n1 ZINC000006766273 557129445 /nfs/dbraw/zinc/12/94/45/557129445.db2.gz KRFWQHMBBOSATG-UHFFFAOYSA-N 0 3 431.606 3.053 50 0 IGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)c(OC)c1 ZINC000102706346 557366389 /nfs/dbraw/zinc/36/63/89/557366389.db2.gz WVDKNKYAZHNKRD-DNVJHFABSA-N 0 3 446.459 3.461 50 0 IGAAHN CN1CC[C@@H](CNC(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)[C@@H]1c1cccs1 ZINC000108389733 557542764 /nfs/dbraw/zinc/54/27/64/557542764.db2.gz TXYCTSLNNISGRK-LAUBAEHRSA-N 0 3 447.564 3.365 50 0 IGAAHN COc1ccc([C@H](CNC(=O)Cc2cc(OC)c(OC)c(OC)c2)N2CCCC2)cc1 ZINC000004144191 562942350 /nfs/dbraw/zinc/94/23/50/562942350.db2.gz ZCFOEJZBMVWSOE-FQEVSTJZSA-N 0 3 428.529 3.217 50 0 IGAAHN CCCN1CCN(CCCNC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)CC1 ZINC000020286376 563024360 /nfs/dbraw/zinc/02/43/60/563024360.db2.gz SCAQXSHFTPXSSP-UHFFFAOYSA-N 0 3 427.570 3.464 50 0 IGAAHN CN1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)CCS3)CC1 ZINC000020355109 563024482 /nfs/dbraw/zinc/02/44/82/563024482.db2.gz JGZSGXTUCLJOMX-UHFFFAOYSA-N 0 3 442.604 3.305 50 0 IGAAHN COc1ccc(CNCc2cc(C)no2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000015069473 568635131 /nfs/dbraw/zinc/63/51/31/568635131.db2.gz QCCOLPLCUYMFCQ-OAQYLSRUSA-N 0 3 425.529 3.153 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C ZINC000263587287 568760491 /nfs/dbraw/zinc/76/04/91/568760491.db2.gz FEXUYIURTHKPTA-QUCCMNQESA-N 0 3 428.577 3.215 50 0 IGAAHN CN1CCCN(c2ccc(NC(=O)N(C[C@@H]3CCCO3)C[C@@H]3CCCO3)cc2F)CC1 ZINC000083877985 568784351 /nfs/dbraw/zinc/78/43/51/568784351.db2.gz GXTUSCPNXXYETN-PMACEKPBSA-N 0 3 434.556 3.160 50 0 IGAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc(Br)o3)CC2)n1 ZINC000015671203 568802371 /nfs/dbraw/zinc/80/23/71/568802371.db2.gz ZYDUEWTYSKHYBN-UHFFFAOYSA-N 0 3 434.338 3.093 50 0 IGAAHN CCN1CCN(CCCNC(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)CC1 ZINC000085651195 568831833 /nfs/dbraw/zinc/83/18/33/568831833.db2.gz GJXDTDDHFOZYKO-UHFFFAOYSA-N 0 3 425.508 3.468 50 0 IGAAHN CCOc1ccccc1CN1CCN(C2CCN(Cc3ccccn3)CC2)C[C@H]1CCO ZINC000104644100 568837175 /nfs/dbraw/zinc/83/71/75/568837175.db2.gz IJJSEWAUGKHGEX-RUZDIDTESA-N 0 3 438.616 3.014 50 0 IGAAHN CC[C@H](NCCc1c[nH]c2ccccc12)c1nnnn1-c1ccc(N2CCOCC2)cc1 ZINC000575443933 568869712 /nfs/dbraw/zinc/86/97/12/568869712.db2.gz YFQYEGGXCLEIKX-QFIPXVFZSA-N 0 3 431.544 3.264 50 0 IGAAHN COCc1nn2c(c1-c1ccccc1)NC(=O)C2CC(=O)Nc1ccccc1C(=O)OC ZINC000090594440 568889180 /nfs/dbraw/zinc/88/91/80/568889180.db2.gz LJSGXSAZTKAEIO-GOSISDBHSA-N 0 3 434.452 3.005 50 0 IGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)c(OC)c1 ZINC000137335877 568909157 /nfs/dbraw/zinc/90/91/57/568909157.db2.gz WVDKNKYAZHNKRD-RJGXRXQPSA-N 0 3 446.459 3.461 50 0 IGAAHN CC(C)CC(=O)N(CCN(C)C)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1 ZINC000036249266 568983220 /nfs/dbraw/zinc/98/32/20/568983220.db2.gz JVJJUYYGUKVSFY-UHFFFAOYSA-N 0 3 432.540 3.254 50 0 IGAAHN CCc1ccc(CNC(=O)Cn2c(CC)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 ZINC000065153593 569112080 /nfs/dbraw/zinc/11/20/80/569112080.db2.gz KUSHBWQXFBHZEV-UHFFFAOYSA-N 0 3 444.579 3.243 50 0 IGAAHN O=C(c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065255987 569123055 /nfs/dbraw/zinc/12/30/55/569123055.db2.gz QCUYSZMBVJKPAG-DEOSSOPVSA-N 0 3 445.542 3.334 50 0 IGAAHN CN(C)CCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4F)nc3s2)CC1 ZINC000065272058 569128958 /nfs/dbraw/zinc/12/89/58/569128958.db2.gz WYSIMJIHSHQWOU-UHFFFAOYSA-N 0 3 427.549 3.392 50 0 IGAAHN COc1ccc(-n2nc3nc(NCCN(C)C)nc(-c4cccc(F)c4F)c3c2N)cc1 ZINC000037376060 569185605 /nfs/dbraw/zinc/18/56/05/569185605.db2.gz GMIXJCATCKNENH-UHFFFAOYSA-N 0 3 439.470 3.325 50 0 IGAAHN COCCN(C[C@H]1CN(Cc2ccccc2F)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000037524148 569198353 /nfs/dbraw/zinc/19/83/53/569198353.db2.gz UMKHRNCSXVCCLL-IFMALSPDSA-N 0 3 432.511 3.302 50 0 IGAAHN O=C(CCc1ccccc1)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581820129 569211799 /nfs/dbraw/zinc/21/17/99/569211799.db2.gz TZNNQRDWMIFPET-DEOSSOPVSA-N 0 3 448.611 3.377 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 ZINC000118655445 569313664 /nfs/dbraw/zinc/31/36/64/569313664.db2.gz JMVAICMXEKIGAQ-WTNAPCKOSA-N 0 3 441.597 3.276 50 0 IGAAHN O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000095480121 569373825 /nfs/dbraw/zinc/37/38/25/569373825.db2.gz ZOCWTJDQGWXDMH-HXUWFJFHSA-N 0 3 438.963 3.281 50 0 IGAAHN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN[C@]1(C)CCCc2ccccc21 ZINC000095953327 569376738 /nfs/dbraw/zinc/37/67/38/569376738.db2.gz QFMVJCXGUHIPFT-HSZRJFAPSA-N 0 3 443.569 3.373 50 0 IGAAHN CS(=O)(=O)Nc1cccc(CNC(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000057744165 569441224 /nfs/dbraw/zinc/44/12/24/569441224.db2.gz RTGNFLWGBNYGKN-UHFFFAOYSA-N 0 3 430.574 3.043 50 0 IGAAHN COc1ccc2c(C)c(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)oc2c1 ZINC000670434003 569442797 /nfs/dbraw/zinc/44/27/97/569442797.db2.gz PJUBMYNAURVJPC-OUXPZVHUSA-N 0 3 431.536 3.047 50 0 IGAAHN Cc1ccc(-c2cc3c(N4CCC(C(N)=O)(N5CCCCC5)CC4)nccn3n2)c(C)c1 ZINC000067285076 569466839 /nfs/dbraw/zinc/46/68/39/569466839.db2.gz DTFIFQHBCPBEPW-UHFFFAOYSA-N 0 3 432.572 3.323 50 0 IGAAHN Cc1ccc(S(=O)(=O)c2cn(CC(=O)N(C)C3CCN(C)CC3)c3ccccc23)cc1 ZINC000008865293 569480252 /nfs/dbraw/zinc/48/02/52/569480252.db2.gz NOGVBUBIPGRDCO-UHFFFAOYSA-N 0 3 439.581 3.335 50 0 IGAAHN O=C(CCN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009663201 569557209 /nfs/dbraw/zinc/55/72/09/569557209.db2.gz FVRZHGRBABFWRB-UHFFFAOYSA-N 0 3 434.540 3.493 50 0 IGAAHN C[C@@H](C(=O)NCCN1CCCC1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 ZINC000009667318 569557797 /nfs/dbraw/zinc/55/77/97/569557797.db2.gz WVYMBFDQWVWNHZ-UUOWRZLLSA-N 0 3 430.552 3.324 50 0 IGAAHN O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCC1CCN(Cc2ccccc2F)CC1 ZINC000009688597 569560839 /nfs/dbraw/zinc/56/08/39/569560839.db2.gz MPUSPXQRQHTYAA-UHFFFAOYSA-N 0 3 431.895 3.415 50 0 IGAAHN CC(=O)Nc1ccc(CN2CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC2)cc1 ZINC000012126706 519715970 /nfs/dbraw/zinc/71/59/70/519715970.db2.gz NLOYOBIORMPCSH-HXUWFJFHSA-N 0 3 429.590 3.424 50 0 IGAAHN CC(C)Oc1cnn(-c2ccccc2)c(=O)c1Nc1cccc(C(=O)NCCN(C)C)c1 ZINC000036061481 519785594 /nfs/dbraw/zinc/78/55/94/519785594.db2.gz LNAUIUNHCQDFOG-UHFFFAOYSA-N 0 3 435.528 3.055 50 0 IGAAHN CCCC(=O)OC[C@@H](O)CN(CCN1CCCC1)Cc1cccn1Cc1ccc(F)cc1 ZINC000035840496 519881080 /nfs/dbraw/zinc/88/10/80/519881080.db2.gz ZVKNEANDRFOEPB-DEOSSOPVSA-N 0 3 445.579 3.278 50 0 IGAAHN CCN1CCN([C@H]2CCc3c(sc4ncn(Cc5ccc(F)cc5)c(=O)c34)C2)CC1 ZINC000022910012 521695434 /nfs/dbraw/zinc/69/54/34/521695434.db2.gz OOWTUBHYTOWPPH-SFHVURJKSA-N 0 3 426.561 3.140 50 0 IGAAHN COC(=O)c1ccc(CN2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1 ZINC000012099326 522006535 /nfs/dbraw/zinc/00/65/35/522006535.db2.gz KBJILLMFKZGJKD-HSZRJFAPSA-N 0 3 441.553 3.257 50 0 IGAAHN COC(=O)CC[C@H](C)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000012435782 523115841 /nfs/dbraw/zinc/11/58/41/523115841.db2.gz AWRMRIFIKNQBHQ-SFHVURJKSA-N 0 3 425.529 3.197 50 0 IGAAHN CCn1cc(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)c(C)n1 ZINC000012298738 523368091 /nfs/dbraw/zinc/36/80/91/523368091.db2.gz XJNKXCKFIZCWJG-UHFFFAOYSA-N 0 3 448.011 3.200 50 0 IGAAHN COc1ccc([C@@H](CC(=O)NCCN2CCCC2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530567 525169759 /nfs/dbraw/zinc/16/97/59/525169759.db2.gz XVGMLAPRGAGVPT-OAQYLSRUSA-N 0 3 437.540 3.003 50 0 IGAAHN C[C@@H]1Cc2cc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)ccc2N1S(C)(=O)=O ZINC000012779695 525520074 /nfs/dbraw/zinc/52/00/74/525520074.db2.gz BHJQPPOSZNLGRB-BEFAXECRSA-N 0 3 433.599 3.026 50 0 IGAAHN COc1cc(S(=O)(=O)[N-]C2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)cc1Br ZINC000002858601 555842925 /nfs/dbraw/zinc/84/29/25/555842925.db2.gz ZKDACWCAOWYIJW-UHFFFAOYSA-N 0 3 435.384 3.054 50 0 IGAAHN Cc1nn(C)c(C)c1CNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)[nH]c1=O ZINC000011838576 556363857 /nfs/dbraw/zinc/36/38/57/556363857.db2.gz AVAPZFLUUVLXCB-UHFFFAOYSA-N 0 3 447.583 3.110 50 0 IGAAHN O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2C[C@@H](NCc3cc4ccccc4s3)C[C@@H]12 ZINC000014536365 556423724 /nfs/dbraw/zinc/42/37/24/556423724.db2.gz VFGNKZKIUHDVHZ-IHPCNDPISA-N 0 3 439.968 3.355 50 0 IGAAHN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H](NCc3cc4ccccc4s3)C[C@@H]12 ZINC000014541866 556425925 /nfs/dbraw/zinc/42/59/25/556425925.db2.gz XJLUKVICRRPZSZ-HSQYWUDLSA-N 0 3 444.560 3.183 50 0 IGAAHN COc1cccc(CN(C)[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 ZINC000014733623 556437899 /nfs/dbraw/zinc/43/78/99/556437899.db2.gz GCVXVDKLNVCERJ-FQEVSTJZSA-N 0 3 440.588 3.009 50 0 IGAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N1CCC(Cc3ccccc3)CC1)C2 ZINC000014742404 556439362 /nfs/dbraw/zinc/43/93/62/556439362.db2.gz MMZGEXBSLLLSJZ-NRFANRHFSA-N 0 3 438.641 3.421 50 0 IGAAHN CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H](NCc1ccc3c(c1)OCO3)C2 ZINC000014749970 556443048 /nfs/dbraw/zinc/44/30/48/556443048.db2.gz QHAVAXLZYYJTDG-QGZVFWFLSA-N 0 3 436.512 3.144 50 0 IGAAHN CCN(CC)CCNC(=O)c1c(=O)cc(C)n(CCc2cccc(Cl)c2)c1COC ZINC000014965530 556465376 /nfs/dbraw/zinc/46/53/76/556465376.db2.gz RVXGUMNZGOZNHA-UHFFFAOYSA-N 0 3 433.980 3.271 50 0 IGAAHN O=C(CCc1ccco1)N1CCC2(C[C@H]2C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000014970966 556467220 /nfs/dbraw/zinc/46/72/20/556467220.db2.gz JMGCPBQQOHJIHQ-QFIPXVFZSA-N 0 3 427.589 3.318 50 0 IGAAHN COCc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)o1 ZINC000015066086 556492800 /nfs/dbraw/zinc/49/28/00/556492800.db2.gz PBHFVFDKZZEEFC-LJQANCHMSA-N 0 3 431.552 3.481 50 0 IGAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2c(F)ccc(F)c2F)CC1 ZINC000015079174 556500226 /nfs/dbraw/zinc/50/02/26/556500226.db2.gz OQSZXAGZPHZMSR-KRWDZBQOSA-N 0 3 428.495 3.012 50 0 IGAAHN COc1ccc2[nH]cc(CCNCC3=NO[C@@H](Cc4cc5c(c(OC)c4)OCO5)C3)c2c1 ZINC000015085776 556502587 /nfs/dbraw/zinc/50/25/87/556502587.db2.gz KMYXWLPMTTVNRE-IBGZPJMESA-N 0 3 437.496 3.434 50 0 IGAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)n1 ZINC000033326815 556561694 /nfs/dbraw/zinc/56/16/94/556561694.db2.gz BANHBVTVKLYJRX-UHFFFAOYSA-N 0 3 432.528 3.129 50 0 IGAAHN CS(=O)(=O)Nc1cc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)ccc1Cl ZINC000060238383 556577940 /nfs/dbraw/zinc/57/79/40/556577940.db2.gz PBPHAOGFOPLDLC-GOSISDBHSA-N 0 3 435.977 3.496 50 0 IGAAHN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCCN3CCCC[C@H]3C)s2)cc1 ZINC000032987818 556608178 /nfs/dbraw/zinc/60/81/78/556608178.db2.gz UTLSFYWCKNTMKO-MRXNPFEDSA-N 0 3 445.589 3.112 50 0 IGAAHN Cc1cc(C)c(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)c(C)c1 ZINC000005254532 556747603 /nfs/dbraw/zinc/74/76/03/556747603.db2.gz YBZMOKQQABGGTN-UHFFFAOYSA-N 0 3 428.602 3.340 50 0 IGAAHN CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000058085644 556757158 /nfs/dbraw/zinc/75/71/58/556757158.db2.gz QURGAGVMTURWPX-QFIPXVFZSA-N 0 3 429.586 3.169 50 0 IGAAHN CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000058085648 556757178 /nfs/dbraw/zinc/75/71/78/556757178.db2.gz QURGAGVMTURWPX-JOCHJYFZSA-N 0 3 429.586 3.169 50 0 IGAAHN CCN1CCc2nc(-c3ccccc3)n(CC(=O)N3CCCc4ccccc43)c(=O)c2C1 ZINC000062007143 556765359 /nfs/dbraw/zinc/76/53/59/556765359.db2.gz FGZWAHKHHAFUMB-UHFFFAOYSA-N 0 3 428.536 3.268 50 0 IGAAHN CN1CCN(CCCNC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000033252412 556893008 /nfs/dbraw/zinc/89/30/08/556893008.db2.gz CJDJALPMDRGJQE-UHFFFAOYSA-N 0 3 439.947 3.424 50 0 IGAAHN CCN1CCN(CCNC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)CC1 ZINC000033261132 556898824 /nfs/dbraw/zinc/89/88/24/556898824.db2.gz SRDWLRMKXSEXAC-UHFFFAOYSA-N 0 3 430.556 3.255 50 0 IGAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3c(C)cc(C)cc3-n3cccn3)C2)CC1 ZINC000019841837 556929823 /nfs/dbraw/zinc/92/98/23/556929823.db2.gz UZJBXFNISTUSCH-OAQYLSRUSA-N 0 3 425.577 3.228 50 0 IGAAHN CN1CCN(C2(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)CCCCC2)CC1 ZINC000020426536 557015502 /nfs/dbraw/zinc/01/55/02/557015502.db2.gz DSJSBUZSMATFLB-UHFFFAOYSA-N 0 3 444.620 3.391 50 0 IGAAHN CCCCCn1c(=O)[nH]c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2c1=O ZINC000004791228 557124711 /nfs/dbraw/zinc/12/47/11/557124711.db2.gz PEBORZDYWDFSMV-UHFFFAOYSA-N 0 3 448.567 3.274 50 0 IGAAHN CC[C@@H](CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)N1CCCC1 ZINC000024800739 557168049 /nfs/dbraw/zinc/16/80/49/557168049.db2.gz XSEJLBOCTVDDNI-FQEVSTJZSA-N 0 3 429.586 3.424 50 0 IGAAHN Cc1sc2ncn(CCC(=O)NC[C@@H](c3cccs3)N3CCCC3)c(=O)c2c1C ZINC000025384323 557206626 /nfs/dbraw/zinc/20/66/26/557206626.db2.gz FSJZGZQVEXIGBX-INIZCTEOSA-N 0 3 430.599 3.480 50 0 IGAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)CN2C(=O)COc3ccccc32)cc1 ZINC000025521537 557212997 /nfs/dbraw/zinc/21/29/97/557212997.db2.gz NHWGAZVOYKLLRK-UHFFFAOYSA-N 0 3 429.520 3.457 50 0 IGAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@@H]1c1ccccc1C ZINC000103410000 557314889 /nfs/dbraw/zinc/31/48/89/557314889.db2.gz RWUYHERSQWRKIA-OAQYLSRUSA-N 0 3 442.585 3.201 50 0 IGAAHN Cc1c(C(=O)N(C)C[C@H]2CCCN(C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000299796715 568757850 /nfs/dbraw/zinc/75/78/50/568757850.db2.gz NOCUFQFQQJBIPQ-SFHVURJKSA-N 0 3 430.556 3.150 50 0 IGAAHN O=C(Nc1ccccc1)c1nnn(-c2ccccc2)c1OC[C@@H](O)CN1CCCCCC1 ZINC000001418440 568791049 /nfs/dbraw/zinc/79/10/49/568791049.db2.gz YBESDERBOYJKTB-NRFANRHFSA-N 0 3 435.528 3.135 50 0 IGAAHN O=C(Nc1ccccc1)c1nnn(-c2ccccc2)c1OC[C@H](O)CN1CCCCCC1 ZINC000001418439 568791056 /nfs/dbraw/zinc/79/10/56/568791056.db2.gz YBESDERBOYJKTB-OAQYLSRUSA-N 0 3 435.528 3.135 50 0 IGAAHN O=C(c1csc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c1)N1CCCCCC1 ZINC000015729865 568813618 /nfs/dbraw/zinc/81/36/18/568813618.db2.gz BAYQRRXDTDLLRW-UHFFFAOYSA-N 0 3 439.647 3.403 50 0 IGAAHN CN(C)CCOc1cc(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)ccn1 ZINC000089314355 568920710 /nfs/dbraw/zinc/92/07/10/568920710.db2.gz FUOXQBQWIXOYFT-UHFFFAOYSA-N 0 3 430.455 3.204 50 0 IGAAHN COc1ccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)Cc2ccc(F)cc2)cc1 ZINC000036064296 568944879 /nfs/dbraw/zinc/94/48/79/568944879.db2.gz VEYHUJWZDHRJBA-UHFFFAOYSA-N 0 3 440.519 3.316 50 0 IGAAHN CCc1nc2c(c(=O)n1CC(=O)NCCC1=CCCCC1)CN(Cc1ccccc1)CC2 ZINC000065153510 569111869 /nfs/dbraw/zinc/11/18/69/569111869.db2.gz DDNCQLUPGKIVKJ-UHFFFAOYSA-N 0 3 434.584 3.371 50 0 IGAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O ZINC000065172613 569113262 /nfs/dbraw/zinc/11/32/62/569113262.db2.gz XTXYZAHOUPMUAA-SFHVURJKSA-N 0 3 437.588 3.429 50 0 IGAAHN CCCN1CCN(c2nnc(-n3cccc3CNCc3ccccc3OC)s2)CC1 ZINC000007002097 569117449 /nfs/dbraw/zinc/11/74/49/569117449.db2.gz SWZFTOFUUBKELR-UHFFFAOYSA-N 0 3 426.590 3.159 50 0 IGAAHN CN(C)CCn1nnc2cc(-c3noc(Cc4ccc(Br)cc4)n3)ccc21 ZINC000065254994 569122827 /nfs/dbraw/zinc/12/28/27/569122827.db2.gz ARVMWEPGLRMJNA-UHFFFAOYSA-N 0 3 427.306 3.396 50 0 IGAAHN COc1ccc(CNC(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)c(OC)c1 ZINC000065255931 569122974 /nfs/dbraw/zinc/12/29/74/569122974.db2.gz LFXKLSCUNOWEBE-QFIPXVFZSA-N 0 3 432.524 3.180 50 0 IGAAHN O=C(NCCN1CCc2ccccc2C1)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1 ZINC000065256200 569123099 /nfs/dbraw/zinc/12/30/99/569123099.db2.gz MXPAIUSWVZCBHX-RUZDIDTESA-N 0 3 441.579 3.021 50 0 IGAAHN COc1ccnc(N2CCN(C(=O)[C@H]3CN(Cc4ccccc4)C[C@@H]3C(F)(F)F)CC2)c1 ZINC000170614618 569146371 /nfs/dbraw/zinc/14/63/71/569146371.db2.gz AJNNWLJFALCNSV-PMACEKPBSA-N 0 3 448.489 3.049 50 0 IGAAHN COc1ccc(C)cc1N1C[C@@H](C(=O)N(C)CC2CCN(c3ccncc3)CC2)CC1=O ZINC000089616893 569159991 /nfs/dbraw/zinc/15/99/91/569159991.db2.gz LIVHZOVWSRPTJV-FQEVSTJZSA-N 0 3 436.556 3.127 50 0 IGAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)C2)CC1 ZINC000581820133 569211809 /nfs/dbraw/zinc/21/18/09/569211809.db2.gz UHKUDDFLEZBXJN-JOCHJYFZSA-N 0 3 438.616 3.277 50 0 IGAAHN CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cccn1-c1cccnc1)CC2 ZINC000014749427 569310351 /nfs/dbraw/zinc/31/03/51/569310351.db2.gz GHKIXRAVWGBKGC-UHFFFAOYSA-N 0 3 443.551 3.344 50 0 IGAAHN COCCCCN1CCC(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)CC1 ZINC000328589962 569316808 /nfs/dbraw/zinc/31/68/08/569316808.db2.gz OLCZGGIQDYKYHJ-UHFFFAOYSA-N 0 3 446.617 3.114 50 0 IGAAHN COC(=O)COc1ccc(C(=O)N(C)C[C@H]2CCN(Cc3ccc(C)s3)C2)cc1OC ZINC000328591636 569317095 /nfs/dbraw/zinc/31/70/95/569317095.db2.gz CFHRJZAISZQVML-QGZVFWFLSA-N 0 3 446.569 3.211 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000020508043 569369568 /nfs/dbraw/zinc/36/95/68/569369568.db2.gz JMVAICMXEKIGAQ-VOQZNFBZSA-N 0 3 441.597 3.276 50 0 IGAAHN COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000225687520 569407196 /nfs/dbraw/zinc/40/71/96/569407196.db2.gz FAYYNXLAAPBIAF-QFIPXVFZSA-N 0 3 429.520 3.119 50 0 IGAAHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(F)cc(Br)c1 ZINC000058161583 569449228 /nfs/dbraw/zinc/44/92/28/569449228.db2.gz SYHWHSVPRXXGOY-KRWDZBQOSA-N 0 3 429.330 3.468 50 0 IGAAHN C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)CN(C1CCN(Cc3ccccc3)CC1)C2=O ZINC000008918171 569486221 /nfs/dbraw/zinc/48/62/21/569486221.db2.gz MUHQNMKDPXQRIM-MHZLTWQESA-N 0 3 442.563 3.275 50 0 IGAAHN COc1cc(CS(=O)(=O)C(C)C(=O)N[C@@H](C)c2ccccc2)ccc1OC(F)F ZINC000040106100 569488358 /nfs/dbraw/zinc/48/83/58/569488358.db2.gz OWLFYDHJLSLZRP-UONOGXRCSA-N 0 3 427.469 3.477 50 0 IGAAHN COc1ccc(CN2CCC(N3CCN(c4ccccc4OC)CC3)CC2)cc1OC ZINC000004712147 132272965 /nfs/dbraw/zinc/27/29/65/132272965.db2.gz OVMMGIMELDRFMU-UHFFFAOYSA-N 0 3 425.573 3.499 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)CN(C)Cc3ccccc3N3CCCC3)cc2)CC1 ZINC000009468552 132318518 /nfs/dbraw/zinc/31/85/18/132318518.db2.gz ABTIPRONVWIMFL-UHFFFAOYSA-N 0 3 435.616 3.499 50 0 IGAAHN CCCOc1c(Br)cc(CNCCCSc2nnnn2C)cc1OCC ZINC000040744609 520289940 /nfs/dbraw/zinc/28/99/40/520289940.db2.gz LVYRXXOJWHPJBK-UHFFFAOYSA-N 0 3 444.399 3.432 50 0 IGAAHN CCOC(=O)C1C(CNCCc2ccc(OC)cc2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000012412511 520519477 /nfs/dbraw/zinc/51/94/77/520519477.db2.gz FPXVTPBQHIQXSO-HSZRJFAPSA-N 0 3 437.540 3.315 50 0 IGAAHN CCOC(=O)C1=C(CNCCc2ccc(OC)cc2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000012412511 520519484 /nfs/dbraw/zinc/51/94/84/520519484.db2.gz FPXVTPBQHIQXSO-HSZRJFAPSA-N 0 3 437.540 3.315 50 0 IGAAHN CCOc1cc(CNCCO)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040741763 520714504 /nfs/dbraw/zinc/71/45/04/520714504.db2.gz CFORQKHBCVRMHW-UHFFFAOYSA-N 0 3 437.334 3.256 50 0 IGAAHN CC1CCC2(CC1)OC[C@@H](C(=O)NCCN(C)C)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035981526 520966848 /nfs/dbraw/zinc/96/68/48/520966848.db2.gz AZJKQTLQRCUVBV-GFBDMGBSSA-N 0 3 441.494 3.131 50 0 IGAAHN CCS(=O)(=O)c1ncc(CN2CCC[C@H](CN3CCCC3)C2)n1Cc1ccccc1 ZINC000012299914 521694376 /nfs/dbraw/zinc/69/43/76/521694376.db2.gz SEUQTQALKGHYES-OAQYLSRUSA-N 0 3 430.618 3.033 50 0 IGAAHN COc1cc(-c2n[nH]cc2CN2CCCC[C@@H]2CCN2CCOCC2)cc(OC)c1OC ZINC000012445325 521901571 /nfs/dbraw/zinc/90/15/71/521901571.db2.gz PXTADWUTFWLFKS-HXUWFJFHSA-N 0 3 444.576 3.179 50 0 IGAAHN COc1cc(CN2CCC3(CC[C@@H](CNC(=O)c4cccnc4)O3)CC2)cc(OC)c1 ZINC000012509490 522367784 /nfs/dbraw/zinc/36/77/84/522367784.db2.gz DGGFRAUEOWUJCT-FQEVSTJZSA-N 0 3 425.529 3.042 50 0 IGAAHN COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012458583 522441773 /nfs/dbraw/zinc/44/17/73/522441773.db2.gz WMFHMCORGWAOTA-NRFANRHFSA-N 0 3 428.598 3.263 50 0 IGAAHN CN(CCCCN1CCOCC1)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000012433458 522735311 /nfs/dbraw/zinc/73/53/11/522735311.db2.gz FRJZJICCYFTJEJ-UHFFFAOYSA-N 0 3 449.599 3.151 50 0 IGAAHN CN(CCNC(=O)CN1c2ccccc2Sc2ncccc2C1=O)Cc1ccccc1 ZINC000021163426 522846513 /nfs/dbraw/zinc/84/65/13/522846513.db2.gz KFKDIYWRIWACFA-UHFFFAOYSA-N 0 3 432.549 3.441 50 0 IGAAHN CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1 ZINC000020776761 523929085 /nfs/dbraw/zinc/92/90/85/523929085.db2.gz NACKFEXJLPMQNU-LJQANCHMSA-N 0 3 433.556 3.155 50 0 IGAAHN Cc1ccc(C2(c3noc(CN4CCC(N5CCNC(=O)CC5)CC4)n3)CCCC2)cc1 ZINC000012744908 524228695 /nfs/dbraw/zinc/22/86/95/524228695.db2.gz HJAJWXIWEOFVHN-UHFFFAOYSA-N 0 3 437.588 3.024 50 0 IGAAHN COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(CC(C)C)nc(=O)[n-]2)C1 ZINC000012438029 524410266 /nfs/dbraw/zinc/41/02/66/524410266.db2.gz LKORBJRFSMAYOP-IBGZPJMESA-N 0 3 440.588 3.004 50 0 IGAAHN COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc(CC(C)C)nc(=O)[n-]2)C1 ZINC000012438029 524410274 /nfs/dbraw/zinc/41/02/74/524410274.db2.gz LKORBJRFSMAYOP-IBGZPJMESA-N 0 3 440.588 3.004 50 0 IGAAHN C[C@@H]1CN(CCC(=O)NCC2(N3CCOCC3)CCCC2)Cc2cc(Cl)ccc2O1 ZINC000012099245 524937155 /nfs/dbraw/zinc/93/71/55/524937155.db2.gz RIHLYNIGOXVKLM-GOSISDBHSA-N 0 3 435.996 3.074 50 0 IGAAHN C[C@H](NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1cccc2ccccc21 ZINC000012770182 525308042 /nfs/dbraw/zinc/30/80/42/525308042.db2.gz OQHPSRZVKNNESK-QYBDOPJKSA-N 0 3 444.535 3.465 50 0 IGAAHN COc1cccc(-n2c(CNC(=O)c3ccc(C)cc3)nnc2SCCN(C)C)c1 ZINC000012247840 525746269 /nfs/dbraw/zinc/74/62/69/525746269.db2.gz DCAVTGMDXBRTDK-UHFFFAOYSA-N 0 3 425.558 3.168 50 0 IGAAHN O=C(CCn1cnc2c3ccccc3[nH]c2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000035423890 526681838 /nfs/dbraw/zinc/68/18/38/526681838.db2.gz UNUNUTDPBHTCHZ-UHFFFAOYSA-N 0 3 429.524 3.049 50 0 IGAAHN O=CN1CCCN(C2CCN(c3ccc(C(=O)N4CCc5ccccc5C4)cc3)CC2)CC1 ZINC000012191515 527140117 /nfs/dbraw/zinc/14/01/17/527140117.db2.gz SXKXLCIVLFKRQU-UHFFFAOYSA-N 0 3 446.595 3.018 50 0 IGAAHN Cc1nccn1CCN(C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012433776 527424631 /nfs/dbraw/zinc/42/46/31/527424631.db2.gz NBGNGTMJTACRDZ-UHFFFAOYSA-N 0 3 433.556 3.402 50 0 IGAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccccc1C(F)(F)F)C2 ZINC000014733530 527541537 /nfs/dbraw/zinc/54/15/37/527541537.db2.gz YBPCPQRFHPZDSR-OAHLLOKOSA-N 0 3 438.519 3.275 50 0 IGAAHN Cc1cc([C@H]2CC[C@H](C(=O)NCCN(C)C)CN2C(=O)NCc2ccccc2)ccc1F ZINC000034716051 555865458 /nfs/dbraw/zinc/86/54/58/555865458.db2.gz AVYHGRKFDBLTID-JTHBVZDNSA-N 0 3 440.563 3.475 50 0 IGAAHN CC1CCC2(CC1)OC[C@@H](C(=O)N(C)C1CCN(C)CC1)N2C(=O)c1ccc(F)cc1 ZINC000034920341 555931152 /nfs/dbraw/zinc/93/11/52/555931152.db2.gz QLPCBLWXQZZIOW-LBVATQBMSA-N 0 3 431.552 3.126 50 0 IGAAHN CC1CCC2(CC1)OC[C@@H](C(=O)NCCN1CCCCC1)N2C(=O)c1ccccc1F 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50 0 IGAAHN CSc1ncc(C(=O)NCc2ccc(N3CCCN(C)CC3)nc2)n1-c1ccccc1 ZINC000040152048 569493354 /nfs/dbraw/zinc/49/33/54/569493354.db2.gz BNNOWCOTFQIKKZ-UHFFFAOYSA-N 0 3 436.585 3.061 50 0 IGAAHN O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000009211347 569511750 /nfs/dbraw/zinc/51/17/50/569511750.db2.gz WTEOFVGMGPZQHA-UHFFFAOYSA-N 0 3 447.514 3.045 50 0 IGAAHN COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3CCC(C(N)=O)CC3)cc2[O-])cc1 ZINC000009410854 569531455 /nfs/dbraw/zinc/53/14/55/569531455.db2.gz BZSQZUISUBVRKG-UHFFFAOYSA-N 0 3 436.512 3.034 50 0 IGAAHN CC(C)[N@H+](CCC[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1ccccc1 ZINC000020583706 519643552 /nfs/dbraw/zinc/64/35/52/519643552.db2.gz JNSBSGIAUCVMHE-UHFFFAOYSA-N 0 3 446.598 3.077 50 0 IGAAHN CC(C)[N@@H+](CCC[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1ccccc1 ZINC000020583706 519643555 /nfs/dbraw/zinc/64/35/55/519643555.db2.gz JNSBSGIAUCVMHE-UHFFFAOYSA-N 0 3 446.598 3.077 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000012597586 521634440 /nfs/dbraw/zinc/63/44/40/521634440.db2.gz FAESITWDVVZUIN-OAQYLSRUSA-N 0 3 425.577 3.329 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)cc2C)CC1 ZINC000012521713 521699377 /nfs/dbraw/zinc/69/93/77/521699377.db2.gz FOPKMTVWEFVKDB-LJQANCHMSA-N 0 3 436.556 3.137 50 0 IGAAHN CN(C)CCNC(=O)c1ccc(/C=C2\SC(=O)N(Cc3cccc(F)c3)C2=O)cc1 ZINC000034760939 521784379 /nfs/dbraw/zinc/78/43/79/521784379.db2.gz UOZSCHFCDUQOHZ-UYRXBGFRSA-N 0 3 427.501 3.354 50 0 IGAAHN COc1cc(CN2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc(OC)c1 ZINC000012100040 522367903 /nfs/dbraw/zinc/36/79/03/522367903.db2.gz FTRNQFGMMUEVCY-VWLOTQADSA-N 0 3 437.540 3.127 50 0 IGAAHN CCc1nn(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2cc3sccc3n21 ZINC000020384052 522702508 /nfs/dbraw/zinc/70/25/08/522702508.db2.gz RSWLNRVWQFPZCI-UHFFFAOYSA-N 0 3 449.580 3.054 50 0 IGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1cc(F)c(F)c(F)c1)CC2 ZINC000014538150 523437020 /nfs/dbraw/zinc/43/70/20/523437020.db2.gz LZHMRHOTZOIKNJ-AWEZNQCLSA-N 0 3 432.446 3.350 50 0 IGAAHN CN1CCC(NC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CC1 ZINC000012279140 523775445 /nfs/dbraw/zinc/77/54/45/523775445.db2.gz BMKWERZXZGQBDL-UHFFFAOYSA-N 0 3 428.540 3.129 50 0 IGAAHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000035398026 524106777 /nfs/dbraw/zinc/10/67/77/524106777.db2.gz ZCTLIGVDZHXLPJ-UYAOXDASSA-N 0 3 425.552 3.490 50 0 IGAAHN C[C@H]1CN(CCC(=O)NCC2(N3CCOCC3)CCCC2)Cc2cc(Cl)ccc2O1 ZINC000012099246 524585512 /nfs/dbraw/zinc/58/55/12/524585512.db2.gz RIHLYNIGOXVKLM-SFHVURJKSA-N 0 3 435.996 3.074 50 0 IGAAHN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC2CC2)CN(Cc2ccc(O)cc2)C1 ZINC000014744746 527272794 /nfs/dbraw/zinc/27/27/94/527272794.db2.gz DLGRTFMXKNTXKB-LEWJYISDSA-N 0 3 433.552 3.236 50 0 IGAAHN O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1cccc(-c3ccco3)c1)CC2 ZINC000012280758 527282071 /nfs/dbraw/zinc/28/20/71/527282071.db2.gz CVNOGGHATRDTOU-UHFFFAOYSA-N 0 3 441.535 3.455 50 0 IGAAHN Nc1nonc1C(=O)NCCNCc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040744510 527580346 /nfs/dbraw/zinc/58/03/46/527580346.db2.gz KRGXEWPPRMPARY-UHFFFAOYSA-N 0 3 436.299 3.057 50 0 IGAAHN CCN1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2cccc(C)c2)[C@H](C)CO3)CC1 ZINC000046159054 555798146 /nfs/dbraw/zinc/79/81/46/555798146.db2.gz QSMOJRSXTBXZLA-OAQYLSRUSA-N 0 3 436.600 3.150 50 0 IGAAHN COc1cc(OC)cc(C(=O)NC[C@@H]2CCC3(CCN(Cc4ccccn4)CC3)O2)c1 ZINC000011787306 556354105 /nfs/dbraw/zinc/35/41/05/556354105.db2.gz WVQCSCQPQMFYBG-FQEVSTJZSA-N 0 3 425.529 3.042 50 0 IGAAHN CC(C)NC(=O)C1CCN(C2CCN(C(=O)CCC(=O)c3ccc(F)cc3)CC2)CC1 ZINC000011817097 556359552 /nfs/dbraw/zinc/35/95/52/556359552.db2.gz BWINIPOHONNDTE-UHFFFAOYSA-N 0 3 431.552 3.016 50 0 IGAAHN CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2cn(C)c4ccccc24)CC3)CC1 ZINC000012024967 556387534 /nfs/dbraw/zinc/38/75/34/556387534.db2.gz NBKRDNFJSXFZRJ-NRFANRHFSA-N 0 3 438.572 3.081 50 0 IGAAHN COc1cccc(CCNc2ncnc3sc(C(=O)N4CC[C@@H](N(C)C)C4)c(C)c32)c1 ZINC000012049216 556391809 /nfs/dbraw/zinc/39/18/09/556391809.db2.gz OJNHZSZQHYFCHW-QGZVFWFLSA-N 0 3 439.585 3.439 50 0 IGAAHN O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccncc3)CC2)N1Cc1ccccc1 ZINC000014752994 556444092 /nfs/dbraw/zinc/44/40/92/556444092.db2.gz IXCVPJQUXKVDJL-UHFFFAOYSA-N 0 3 441.535 3.476 50 0 IGAAHN COc1ccc([C@H]2[C@@H](COC(=O)CCn3cnc4ccccc4c3=O)CCCN2C)cc1 ZINC000072289686 556484148 /nfs/dbraw/zinc/48/41/48/556484148.db2.gz SBROSZQWWFPFKH-DVECYGJZSA-N 0 3 435.524 3.422 50 0 IGAAHN COc1ccc(/C=C/CN2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc1 ZINC000015070919 556495825 /nfs/dbraw/zinc/49/58/25/556495825.db2.gz SNSBCCQUNWYOFE-LAQIPUCWSA-N 0 3 435.528 3.251 50 0 IGAAHN CN1CCN(CCCNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000032975053 556597268 /nfs/dbraw/zinc/59/72/68/556597268.db2.gz PAPTUQYQEMPDHN-UHFFFAOYSA-N 0 3 431.584 3.226 50 0 IGAAHN COc1ccc(CNCc2ccc(OC[C@@H](O)c3ccc4c(c3)n(C)c(=O)n4C)cc2)cc1 ZINC000016363933 556603366 /nfs/dbraw/zinc/60/33/66/556603366.db2.gz UPMUMFDETWEILU-RUZDIDTESA-N 0 3 447.535 3.288 50 0 IGAAHN CC(C)Oc1c(Br)cc(CNCCN2CCOCC2)cc1Br ZINC000040719674 556645397 /nfs/dbraw/zinc/64/53/97/556645397.db2.gz VGFABLIDHQGWLS-UHFFFAOYSA-N 0 3 436.188 3.421 50 0 IGAAHN O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1)NC1CCCC1 ZINC000004601837 556696192 /nfs/dbraw/zinc/69/61/92/556696192.db2.gz NJBGSFCUBZKYJJ-UHFFFAOYSA-N 0 3 428.602 3.423 50 0 IGAAHN CSc1cccc(NC(=O)C2CC(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)c1 ZINC000061718361 556724914 /nfs/dbraw/zinc/72/49/14/556724914.db2.gz FXZIYNVWNZZJAN-INIZCTEOSA-N 0 3 436.493 3.021 50 0 IGAAHN CCN(CC)[C@H](CNC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccsc1 ZINC000058281115 556777281 /nfs/dbraw/zinc/77/72/81/556777281.db2.gz SUVBJKFJXPYJCG-LJQANCHMSA-N 0 3 436.603 3.493 50 0 IGAAHN COc1cc(C)c(S(=O)(=O)N[C@@H](CN(C)C2CCN(C)CC2)c2ccccc2)cc1C ZINC000058440059 556788775 /nfs/dbraw/zinc/78/87/75/556788775.db2.gz UPGKNICRPUAEAM-QFIPXVFZSA-N 0 3 445.629 3.358 50 0 IGAAHN CN(C)CCOc1cccc(CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)c1 ZINC000059350506 556798578 /nfs/dbraw/zinc/79/85/78/556798578.db2.gz LDBAVZDBYWHOHJ-UHFFFAOYSA-N 0 3 442.519 3.256 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccccc2)c1-n1cccc1 ZINC000206648424 556825443 /nfs/dbraw/zinc/82/54/43/556825443.db2.gz KYPXHMLRPMMURD-UHFFFAOYSA-N 0 3 426.524 3.452 50 0 IGAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019817557 556920205 /nfs/dbraw/zinc/92/02/05/556920205.db2.gz RBEPVNZTLUIZDN-KUHUBIRLSA-N 0 3 426.423 3.410 50 0 IGAAHN COc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc(OC)c1 ZINC000020119240 556987404 /nfs/dbraw/zinc/98/74/04/556987404.db2.gz LRVCLHASEWZTEJ-OAQYLSRUSA-N 0 3 425.573 3.499 50 0 IGAAHN CCN(CC)[C@H]1CCN(Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)C1 ZINC000022926617 557048535 /nfs/dbraw/zinc/04/85/35/557048535.db2.gz SYWXIUZOKPTNTI-NRFANRHFSA-N 0 3 432.634 3.277 50 0 IGAAHN CCCN1CCN(CCCNC(=O)c2cc3c(s2)c2cc(C)ccc2[nH]c3=O)CC1 ZINC000022930167 557049681 /nfs/dbraw/zinc/04/96/81/557049681.db2.gz FXVAYIYWMRLPEH-UHFFFAOYSA-N 0 3 426.586 3.199 50 0 IGAAHN Cc1ccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCCN(C)CC4)nc3)s2)o1 ZINC000048264262 557050584 /nfs/dbraw/zinc/05/05/84/557050584.db2.gz QTRGEOOZKUCAMQ-UHFFFAOYSA-N 0 3 425.558 3.487 50 0 IGAAHN CCN1CCC(N(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C2CC2)CC1 ZINC000048326591 557069156 /nfs/dbraw/zinc/06/91/56/557069156.db2.gz FFZZQQPSJWPLFG-UHFFFAOYSA-N 0 3 447.645 3.269 50 0 IGAAHN Cc1ccc([C@@H](C)NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 ZINC000049400883 557096739 /nfs/dbraw/zinc/09/67/39/557096739.db2.gz AYWRALXUJVEJRV-LJQANCHMSA-N 0 3 430.552 3.296 50 0 IGAAHN CC1CCN([C@@H](CNC(=O)CCn2c3ccccc3n(C)c2=O)c2cccs2)CC1 ZINC000024983983 557185824 /nfs/dbraw/zinc/18/58/24/557185824.db2.gz MQGMUOXTUPCDTH-FQEVSTJZSA-N 0 3 426.586 3.381 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)N2CCCC2)cc1 ZINC000014094496 557302302 /nfs/dbraw/zinc/30/23/02/557302302.db2.gz UJTOLDIRQINYOQ-LJQANCHMSA-N 0 3 440.569 3.037 50 0 IGAAHN CC(C(=O)N1C[C@H](C)C[C@H](C)C1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000105664961 557509990 /nfs/dbraw/zinc/50/99/90/557509990.db2.gz KLEWIAORGQQMCJ-ZNMIVQPWSA-N 0 3 429.966 3.309 50 0 IGAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019817685 557522540 /nfs/dbraw/zinc/52/25/40/557522540.db2.gz MNQKUDNBROLPEF-LJQANCHMSA-N 0 3 441.447 3.277 50 0 IGAAHN COc1ccc(CNCc2cc(C)no2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000015069471 568635366 /nfs/dbraw/zinc/63/53/66/568635366.db2.gz QCCOLPLCUYMFCQ-NRFANRHFSA-N 0 3 425.529 3.153 50 0 IGAAHN C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CCN1 ZINC000253602916 568644023 /nfs/dbraw/zinc/64/40/23/568644023.db2.gz GVWPKKPYEKPYCT-MOPGFXCFSA-N 0 3 435.547 3.197 50 0 IGAAHN Cc1ccccc1Cn1nc(CNCCCSc2nnnn2C)c(-c2ccccc2)n1 ZINC000261492150 568734464 /nfs/dbraw/zinc/73/44/64/568734464.db2.gz RLEVBHXBWUUDRY-UHFFFAOYSA-N 0 3 434.573 3.097 50 0 IGAAHN COc1cccc(C(=O)N2CCC3(C[C@H]3C(=O)N3CCN(C4CCCCC4)CC3)CC2)c1 ZINC000299766535 568756453 /nfs/dbraw/zinc/75/64/53/568756453.db2.gz DYJNBJAJQMWCEX-QHCPKHFHSA-N 0 3 439.600 3.414 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000575414040 568860817 /nfs/dbraw/zinc/86/08/17/568860817.db2.gz RXNPWWGGBQDYFG-UHFFFAOYSA-N 0 3 427.552 3.361 50 0 IGAAHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000229369983 568886631 /nfs/dbraw/zinc/88/66/31/568886631.db2.gz ISFVIRXBOPZVPM-PZJWPPBQSA-N 0 3 436.556 3.099 50 0 IGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000245312361 568914839 /nfs/dbraw/zinc/91/48/39/568914839.db2.gz UVOPOOFLTDESHU-DNVJHFABSA-N 0 3 446.459 3.461 50 0 IGAAHN CCCCN(C)C(=O)c1cc(NC(=O)c2cccc(Cl)c2)cnc1N1CCNCC1 ZINC000065025437 569090665 /nfs/dbraw/zinc/09/06/65/569090665.db2.gz VGPRZTQDJKFSOL-UHFFFAOYSA-N 0 3 429.952 3.269 50 0 IGAAHN COc1ccc(CNC(=O)c2cccnc2N2CCN[C@H](c3ccccc3)C2)cc1OC ZINC000065255786 569123036 /nfs/dbraw/zinc/12/30/36/569123036.db2.gz HJECWEZVYIHRSJ-NRFANRHFSA-N 0 3 432.524 3.180 50 0 IGAAHN COc1ccc(CNC(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)cc1OC ZINC000065255951 569123092 /nfs/dbraw/zinc/12/30/92/569123092.db2.gz NAQBWXNGFQXKRL-NRFANRHFSA-N 0 3 432.524 3.180 50 0 IGAAHN CC(=O)N1CCC(n2c(C)nc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2C)CC1 ZINC000065257368 569123383 /nfs/dbraw/zinc/12/33/83/569123383.db2.gz JCYHZHCZZIUCQH-UHFFFAOYSA-N 0 3 437.588 3.078 50 0 IGAAHN Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000065329761 569136999 /nfs/dbraw/zinc/13/69/99/569136999.db2.gz JYTLVVNUACXJIR-UHFFFAOYSA-N 0 3 426.517 3.284 50 0 IGAAHN CCN(CCC[NH+]1CCCC1)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000170607653 569144335 /nfs/dbraw/zinc/14/43/35/569144335.db2.gz CUGAFCFZGONYKO-UHFFFAOYSA-N 0 3 448.416 3.382 50 0 IGAAHN CN(C)CCCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCN(C)C3 ZINC000002410275 569300846 /nfs/dbraw/zinc/30/08/46/569300846.db2.gz ASCKMOFWLWLXRW-UHFFFAOYSA-N 0 3 431.993 3.452 50 0 IGAAHN C[C@@H]1CN(CCC2CCN(C(=O)CCC(=O)N3CCc4sccc4C3)CC2)C[C@@H](C)O1 ZINC000079022409 569322505 /nfs/dbraw/zinc/32/25/05/569322505.db2.gz XIOCDFYSLPYOEZ-RTBURBONSA-N 0 3 447.645 3.151 50 0 IGAAHN CN1CCN(CCc2cccc(NC(=O)CCc3nc(-c4ccsc4)no3)c2)CC1 ZINC000095457797 569369062 /nfs/dbraw/zinc/36/90/62/569369062.db2.gz ZTDBZNPSQMLUAY-UHFFFAOYSA-N 0 3 425.558 3.159 50 0 IGAAHN O=C(NCCN1CCCCCC1)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O ZINC000096372454 569397823 /nfs/dbraw/zinc/39/78/23/569397823.db2.gz QQRUORSLFBDFDP-UHFFFAOYSA-N 0 3 445.567 3.298 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)cc2)CC1 ZINC000009338719 569523729 /nfs/dbraw/zinc/52/37/29/569523729.db2.gz VJIZEQKARJRZBR-QHCPKHFHSA-N 0 3 446.551 3.401 50 0 IGAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)Nc2ccccc2F)c2c1CCCC2 ZINC000009747015 569565743 /nfs/dbraw/zinc/56/57/43/569565743.db2.gz RSMPMKREPDHLBV-UHFFFAOYSA-N 0 3 432.565 3.334 50 0 IGAAHN O=C1[C@H]2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002183637 132248451 /nfs/dbraw/zinc/24/84/51/132248451.db2.gz OEYDVYNTKKLWOG-LJQANCHMSA-N 0 3 438.494 3.424 50 0 IGAAHN CCCN1CCN(CCCN2C(=O)c3ccccc3[C@@H]2C(=O)NC2CCCCCC2)CC1 ZINC000020685882 519857291 /nfs/dbraw/zinc/85/72/91/519857291.db2.gz QAAICVLCEUVWPG-XMMPIXPASA-N 0 3 440.632 3.440 50 0 IGAAHN CCCN1CCN(CCCN2C(=O)c3ccccc3[C@H]2C(=O)NC2CCCCCC2)CC1 ZINC000020685888 519857680 /nfs/dbraw/zinc/85/76/80/519857680.db2.gz QAAICVLCEUVWPG-DEOSSOPVSA-N 0 3 440.632 3.440 50 0 IGAAHN CCCN1CCN(CCCNC(=O)c2cnn(-c3cccc(C)c3)c2-n2cccc2)CC1 ZINC000020980179 519858088 /nfs/dbraw/zinc/85/80/88/519858088.db2.gz XYNINYASFLENQS-UHFFFAOYSA-N 0 3 434.588 3.119 50 0 IGAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3cccc(-n4nc(C)cc4C)c3)C2)CC1 ZINC000020455888 520961200 /nfs/dbraw/zinc/96/12/00/520961200.db2.gz XWJCSOSIORSQHH-QHCPKHFHSA-N 0 3 425.577 3.228 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)cc2C)CC1 ZINC000012757608 521698916 /nfs/dbraw/zinc/69/89/16/521698916.db2.gz KJJQNNJBLLITRG-JOCHJYFZSA-N 0 3 434.584 3.167 50 0 IGAAHN COC(=O)CC[C@@H](C)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000012435780 523109461 /nfs/dbraw/zinc/10/94/61/523109461.db2.gz AWRMRIFIKNQBHQ-GOSISDBHSA-N 0 3 425.529 3.197 50 0 IGAAHN CCn1cc(CNCc2ccc(OC)c(OC[C@@H](O)CN(C)Cc3ccccc3)c2)cn1 ZINC000012706729 523383468 /nfs/dbraw/zinc/38/34/68/523383468.db2.gz VYTYIPLEBOHWLF-QHCPKHFHSA-N 0 3 438.572 3.073 50 0 IGAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)CN2C(=O)CSC2=O)CC1 ZINC000012836937 524446983 /nfs/dbraw/zinc/44/69/83/524446983.db2.gz RAPPYAFBIWVDMB-UHFFFAOYSA-N 0 3 447.601 3.087 50 0 IGAAHN COc1ccccc1[C@@H]1NC(=O)N[C@@](O)(c2ccc(Cl)cc2)C1C(=O)C(F)(F)F ZINC000035074026 524762064 /nfs/dbraw/zinc/76/20/64/524762064.db2.gz YXIJBKFKZFMZEW-RVKKMQEKSA-N 0 3 428.794 3.295 50 0 IGAAHN CSCCCN1CCN(c2cccc3c2C(=O)N([C@H](C)c2nccs2)C3=O)CC1 ZINC000012152561 525449515 /nfs/dbraw/zinc/44/95/15/525449515.db2.gz HKZRWUICYOCAGW-OAHLLOKOSA-N 0 3 430.599 3.375 50 0 IGAAHN O=C([C@H]1CCCN(c2nnc(-n3cccc3)s2)C1)N1CCN(C2CCCCC2)CC1 ZINC000020942625 526540293 /nfs/dbraw/zinc/54/02/93/526540293.db2.gz NUHXTCFPCLMUMH-SFHVURJKSA-N 0 3 428.606 3.022 50 0 IGAAHN O=C(c1ccc(N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1)N1CCC[C@@H](O)C1 ZINC000012451574 526696525 /nfs/dbraw/zinc/69/65/25/526696525.db2.gz XNRSKCMNSPAAHA-AREMUKBSSA-N 0 3 448.611 3.075 50 0 IGAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc(OCCO)c2)CC1)c1cccc(F)c1 ZINC000012715487 527461198 /nfs/dbraw/zinc/46/11/98/527461198.db2.gz CSKWQUPIXGUSID-UHFFFAOYSA-N 0 3 438.503 3.483 50 0 IGAAHN Nc1nonc1C(=O)NCCNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000040744391 527580933 /nfs/dbraw/zinc/58/09/33/527580933.db2.gz KRLOBYKAMRHZLW-UHFFFAOYSA-N 0 3 436.299 3.057 50 0 IGAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000033267921 527611085 /nfs/dbraw/zinc/61/10/85/527611085.db2.gz VBVGWBSCWWZLEY-UHFFFAOYSA-N 0 3 445.560 3.008 50 0 IGAAHN Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc43)CC1)CCC[C@@H]2O ZINC000004214700 555976708 /nfs/dbraw/zinc/97/67/08/555976708.db2.gz PMXMIIMHBWHSKN-IBGZPJMESA-N 0 3 426.492 3.081 50 0 fda IGAAHN CCOc1cc(CNC(C)(C)CO)cc(Br)c1OCC(=O)NC(C)(C)C ZINC000008443820 556178385 /nfs/dbraw/zinc/17/83/85/556178385.db2.gz DOFOPISHKPHLMU-UHFFFAOYSA-N 0 3 431.371 3.002 50 0 IGAAHN CCn1cc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c2cc(Cl)ccc21 ZINC000065060051 556322051 /nfs/dbraw/zinc/32/20/51/556322051.db2.gz OUZVSDBILUPQJX-UHFFFAOYSA-N 0 3 447.023 3.365 50 0 IGAAHN COc1cc(CNCCOCCO)cc(Br)c1OCc1ccccc1F ZINC000010435694 556334586 /nfs/dbraw/zinc/33/45/86/556334586.db2.gz PPQFGPFALFAXJH-UHFFFAOYSA-N 0 3 428.298 3.274 50 0 IGAAHN CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(C/C=C/c1ccccc1OC)CC2 ZINC000014744420 556440421 /nfs/dbraw/zinc/44/04/21/556440421.db2.gz GHKSBLRFMCDNLP-CSKARUKUSA-N 0 3 434.540 3.422 50 0 IGAAHN CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000014745844 556441125 /nfs/dbraw/zinc/44/11/25/556441125.db2.gz GLTVQHAXKWCKPW-UHFFFAOYSA-N 0 3 448.567 3.472 50 0 IGAAHN Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cc1F ZINC000014754241 556444748 /nfs/dbraw/zinc/44/47/48/556444748.db2.gz BHBQALHJMBZNIV-IBGZPJMESA-N 0 3 428.552 3.106 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl ZINC000013068516 556452592 /nfs/dbraw/zinc/45/25/92/556452592.db2.gz GVZKNGQRKLESST-QGZVFWFLSA-N 0 3 435.977 3.379 50 0 IGAAHN COC(=O)c1ccc(CN2CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC2)cc1 ZINC000014957809 556463070 /nfs/dbraw/zinc/46/30/70/556463070.db2.gz ZMKMQPACOIFTHD-LJQANCHMSA-N 0 3 430.574 3.252 50 0 IGAAHN COCCCn1cnc2sc3c(c2c1=O)CC[C@@H](N1CCN(c2ccccc2)CC1)C3 ZINC000014971756 556467325 /nfs/dbraw/zinc/46/73/25/556467325.db2.gz FKBJJPQFDXSSKY-LJQANCHMSA-N 0 3 438.597 3.174 50 0 IGAAHN CCN(CC)[C@H]1CCN(C(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)C1 ZINC000014976580 556468997 /nfs/dbraw/zinc/46/89/97/556468997.db2.gz XLGDSXDFEWWTMV-FQEVSTJZSA-N 0 3 442.604 3.050 50 0 IGAAHN COc1ccc(CN(C)Cc2ccon2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000014981345 556470847 /nfs/dbraw/zinc/47/08/47/556470847.db2.gz ACZAKFCSSSVARA-QFIPXVFZSA-N 0 3 425.529 3.187 50 0 IGAAHN CC(C)Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 ZINC000014984361 556471944 /nfs/dbraw/zinc/47/19/44/556471944.db2.gz LIVJZXGWNHYUCS-LJQANCHMSA-N 0 3 439.604 3.139 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4OC)C3)cc2C)CC1 ZINC000029404808 556474744 /nfs/dbraw/zinc/47/47/44/556474744.db2.gz SBTBJEGOHNZIKZ-IBGZPJMESA-N 0 3 436.556 3.137 50 0 IGAAHN COc1cc(CNCCSc2nnnn2C)ccc1OCc1ccc(F)cc1Cl ZINC000013566321 556519234 /nfs/dbraw/zinc/51/92/34/556519234.db2.gz WMRGGAVVHXPXNI-UHFFFAOYSA-N 0 3 437.928 3.472 50 0 IGAAHN CC(C)COC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1 ZINC000036314002 556596560 /nfs/dbraw/zinc/59/65/60/556596560.db2.gz QPJSXNKFXCXNND-QFIPXVFZSA-N 0 3 443.588 3.424 50 0 IGAAHN Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCN3CCCC[C@H]3C)s2)cc1 ZINC000032987100 556606936 /nfs/dbraw/zinc/60/69/36/556606936.db2.gz IXEZWANZNZAMIN-MRXNPFEDSA-N 0 3 447.630 3.323 50 0 IGAAHN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCCN2CCCC[C@H]2C)s1 ZINC000032987334 556607407 /nfs/dbraw/zinc/60/74/07/556607407.db2.gz OOSURDROVNGPBV-MRXNPFEDSA-N 0 3 447.630 3.323 50 0 IGAAHN COc1cc(OC)cc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(Cl)cc34)C2=O)c1 ZINC000018088268 556683598 /nfs/dbraw/zinc/68/35/98/556683598.db2.gz XNFGJXILMQFTLG-FQEVSTJZSA-N 0 3 427.888 3.303 50 0 IGAAHN CC(C(=O)N[C@@H]1CCOc2ccccc21)S(=O)(=O)Cc1coc(-c2cccs2)n1 ZINC000057996361 556751925 /nfs/dbraw/zinc/75/19/25/556751925.db2.gz LAJATPOFAVGFOF-XJKSGUPXSA-N 0 3 432.523 3.346 50 0 IGAAHN O=C(CC[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)N1CCN(c2ccccn2)CC1 ZINC000067789873 556846519 /nfs/dbraw/zinc/84/65/19/556846519.db2.gz APOAINWQWNIOEO-NRFANRHFSA-N 0 3 434.584 3.358 50 0 IGAAHN c1cc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc2c1OCC2 ZINC000019770586 556912833 /nfs/dbraw/zinc/91/28/33/556912833.db2.gz FJCXVTYIJPQXGJ-HSZRJFAPSA-N 0 3 435.568 3.132 50 0 IGAAHN O=S(=O)(c1ccc2nc(N3CCN(C4CCCCC4)CC3)cnc2c1)N1CCCCC1 ZINC000033301581 557083429 /nfs/dbraw/zinc/08/34/29/557083429.db2.gz OORRPYWGLGRXBH-UHFFFAOYSA-N 0 3 443.617 3.259 50 0 IGAAHN O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccccc1I ZINC000023355023 557086947 /nfs/dbraw/zinc/08/69/47/557086947.db2.gz NKBZDUQJLWWQOU-UHFFFAOYSA-N 0 3 449.336 3.438 50 0 IGAAHN O[C@@H]1CN(Cc2ccc(OC(F)F)cc2)CC[C@H]1N1CCN(CCc2ccccc2)CC1 ZINC000023360399 557087576 /nfs/dbraw/zinc/08/75/76/557087576.db2.gz HEJUUFKXOLIKBV-DNQXCXABSA-N 0 3 445.554 3.084 50 0 IGAAHN CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cccc(C(C)=O)c3)c(=O)c2C1 ZINC000049400669 557096360 /nfs/dbraw/zinc/09/63/60/557096360.db2.gz QNJNECVKLUQEBI-UHFFFAOYSA-N 0 3 448.498 3.269 50 0 IGAAHN CC1CCN([C@H](CNC(=O)CCn2c3ccccc3n(C)c2=O)c2cccs2)CC1 ZINC000024983988 557185878 /nfs/dbraw/zinc/18/58/78/557185878.db2.gz MQGMUOXTUPCDTH-HXUWFJFHSA-N 0 3 426.586 3.381 50 0 IGAAHN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000025421468 557208933 /nfs/dbraw/zinc/20/89/33/557208933.db2.gz JAXWDNJORATTIN-JOCHJYFZSA-N 0 3 431.602 3.069 50 0 IGAAHN CCCN1CCN(C[C@@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000025480322 557211847 /nfs/dbraw/zinc/21/18/47/557211847.db2.gz HRHHUJZIIOFION-JOCHJYFZSA-N 0 3 428.573 3.198 50 0 IGAAHN CC1CCN([C@H](CNC(=O)NCc2ccc(N3CCOCC3)nc2)c2cccs2)CC1 ZINC000027334784 557260503 /nfs/dbraw/zinc/26/05/03/557260503.db2.gz RTAZJUHGAIMEDQ-HXUWFJFHSA-N 0 3 443.617 3.252 50 0 IGAAHN O=C(c1cccc(F)c1)N1CCC(N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000102405697 557301541 /nfs/dbraw/zinc/30/15/41/557301541.db2.gz WFAPQLTWVYPJLV-LJQANCHMSA-N 0 3 429.879 3.005 50 0 IGAAHN CCCCc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)cc1 ZINC000004851720 557397020 /nfs/dbraw/zinc/39/70/20/557397020.db2.gz XSHWCBXVKBWNDY-UHFFFAOYSA-N 0 3 428.602 3.367 50 0 IGAAHN NC(=O)c1ccc(NC(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CNCC4)c2)cc1 ZINC000045373881 557543298 /nfs/dbraw/zinc/54/32/98/557543298.db2.gz SCIFUGGHOXNSJC-UHFFFAOYSA-N 0 3 443.507 3.005 50 0 in-vitro IGAAHN COc1ccc(CN2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)c(C)c1C ZINC000299771518 568756614 /nfs/dbraw/zinc/75/66/14/568756614.db2.gz PXUMIAMPLMWPHX-UHFFFAOYSA-N 0 3 437.544 3.102 50 0 IGAAHN CCn1c2ccc(OC)cc2c(N2CCCC2=O)c1C(=O)NCCN1CCCC[C@H]1C ZINC000015681892 568806971 /nfs/dbraw/zinc/80/69/71/568806971.db2.gz HDSHOLVLHVPBCY-QGZVFWFLSA-N 0 3 426.561 3.401 50 0 IGAAHN CC[C@@H](C(=O)NCCN(C)Cc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839444 568969682 /nfs/dbraw/zinc/96/96/82/568969682.db2.gz KBJCMQXGHVDIOJ-NRFANRHFSA-N 0 3 431.540 3.088 50 0 IGAAHN CCOC[C@H](O)CN(CCN(C)C)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036313034 568998103 /nfs/dbraw/zinc/99/81/03/568998103.db2.gz SMCYUWWBHPMGMS-OAQYLSRUSA-N 0 3 430.593 3.093 50 0 IGAAHN C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000036394353 569098619 /nfs/dbraw/zinc/09/86/19/569098619.db2.gz LLIRIZDBEXDFMU-OXJNMPFZSA-N 0 3 444.373 3.348 50 0 IGAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)c(F)c1)CN(Cc1ccccc1)CC2 ZINC000065153585 569112052 /nfs/dbraw/zinc/11/20/52/569112052.db2.gz QSDWZSVYHAQSLN-UHFFFAOYSA-N 0 3 438.478 3.281 50 0 IGAAHN O=C(c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1)N1CCN(c2ccccc2)CC1 ZINC000065255983 569122978 /nfs/dbraw/zinc/12/29/78/569122978.db2.gz WQVKRSNPOBMVLH-DEOSSOPVSA-N 0 3 427.552 3.195 50 0 IGAAHN CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1 ZINC000170614542 569146426 /nfs/dbraw/zinc/14/64/26/569146426.db2.gz NONATOUIECKAPG-UXHICEINSA-N 0 3 433.474 3.315 50 0 IGAAHN CCCN1CCN(C(=O)Nc2ccc(C)c(NC(=O)N3CCN(CCC)CC3)c2)CC1 ZINC000089959094 569168902 /nfs/dbraw/zinc/16/89/02/569168902.db2.gz OQSSPLUDVVHKSA-UHFFFAOYSA-N 0 3 430.597 3.114 50 0 IGAAHN CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 ZINC000252515790 569189146 /nfs/dbraw/zinc/18/91/46/569189146.db2.gz NONATOUIECKAPG-VQTJNVASSA-N 0 3 433.474 3.315 50 0 IGAAHN Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@@H]3CO)c2)n1 ZINC000078975252 569321152 /nfs/dbraw/zinc/32/11/52/569321152.db2.gz GDMHGZPAMCLMGT-ZJSXRUAMSA-N 0 3 433.556 3.494 50 0 IGAAHN CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H](NCCCN1CCCC1=O)c1ccccc1O2 ZINC000095455506 569368530 /nfs/dbraw/zinc/36/85/30/569368530.db2.gz MLIIPJIXOWWSFX-NTKDMRAZSA-N 0 3 429.561 3.492 50 0 IGAAHN COc1ccc(Cl)cc1NCCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000096008247 569379585 /nfs/dbraw/zinc/37/95/85/569379585.db2.gz FLYXNXRBPQBQQR-HXUWFJFHSA-N 0 3 431.964 3.424 50 0 IGAAHN CCCCNC(=O)CSc1nc2ccccc2c2nc(CCN3CCCCC3)nn21 ZINC000002968876 569433097 /nfs/dbraw/zinc/43/30/97/569433097.db2.gz XMLYLJMBAWPHPI-UHFFFAOYSA-N 0 3 426.590 3.314 50 0 IGAAHN CCCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000230089038 569434302 /nfs/dbraw/zinc/43/43/02/569434302.db2.gz PPXYOHXTTKWUHJ-FGZHOGPDSA-N 0 3 445.604 3.007 50 0 IGAAHN O=C(CN1N=C(c2ccccc2)CCC1=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000008812385 569476583 /nfs/dbraw/zinc/47/65/83/569476583.db2.gz GYDKMMGUUJMPOU-UHFFFAOYSA-N 0 3 432.568 3.084 50 0 IGAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)N2CCc3ccccc32)c2c1CCCC2 ZINC000009747088 569565849 /nfs/dbraw/zinc/56/58/49/569565849.db2.gz LVKMJIWDURVZOF-UHFFFAOYSA-N 0 3 440.613 3.145 50 0 IGAAHN O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000071282593 569573681 /nfs/dbraw/zinc/57/36/81/569573681.db2.gz XZROEWDARXCHDO-UHFFFAOYSA-N 0 3 436.943 3.345 50 0 IGAAHN Cc1cn(Cc2ccc(C(=O)NCCN(C)C)o2)/c(=N/C(=O)c2cccc(Cl)c2)s1 ZINC000037437983 569588073 /nfs/dbraw/zinc/58/80/73/569588073.db2.gz FMMIEFHEIUWQOB-FLFQWRMESA-N 0 3 446.960 3.185 50 0 IGAAHN COc1ccc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)c(OC)c1OC ZINC000004173253 132270826 /nfs/dbraw/zinc/27/08/26/132270826.db2.gz VUABBSXKLYRHFN-UHFFFAOYSA-N 0 3 425.573 3.499 50 0 IGAAHN CC[C@H]1Oc2ccccc2N(CC(=O)NCCN2CCC(Cc3ccccc3)CC2)C1=O ZINC000008812241 132294637 /nfs/dbraw/zinc/29/46/37/132294637.db2.gz HFTPAHCHGKSJQI-HSZRJFAPSA-N 0 3 435.568 3.262 50 0 IGAAHN CC(C)(C)CN1CCN(c2cccc3c2C(=O)N(C[C@@H]2COc4ccccc4O2)C3=O)CC1 ZINC000015070488 518663963 /nfs/dbraw/zinc/66/39/63/518663963.db2.gz ZWCUSUWFXSOTBJ-GOSISDBHSA-N 0 3 449.551 3.291 50 0 IGAAHN CCOC(=O)c1cccc(OC[C@H](O)CNC[C@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000022809432 521548215 /nfs/dbraw/zinc/54/82/15/521548215.db2.gz UVKAVXQXORDLJD-ZJSXRUAMSA-N 0 3 442.556 3.038 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1COC ZINC000012135177 521657568 /nfs/dbraw/zinc/65/75/68/521657568.db2.gz GTKCSYLJQMKRSI-INIZCTEOSA-N 0 3 440.573 3.060 50 0 IGAAHN CCN1CCN(CCCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1 ZINC000020985635 521680675 /nfs/dbraw/zinc/68/06/75/521680675.db2.gz JFBPNGHESPARLR-UHFFFAOYSA-N 0 3 442.629 3.009 50 0 IGAAHN CN(C)C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccccc1 ZINC000012560003 521823676 /nfs/dbraw/zinc/82/36/76/521823676.db2.gz AEGMYUOBZGMWBN-HXUWFJFHSA-N 0 3 437.569 3.184 50 0 IGAAHN CCc1nccn1CCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000012306915 522581804 /nfs/dbraw/zinc/58/18/04/522581804.db2.gz GVSQXPKLERFVKG-NRFANRHFSA-N 0 3 429.996 3.302 50 0 IGAAHN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCN3CCCC3)CC2)c2cc(C)ccc2O1 ZINC000020902433 523394471 /nfs/dbraw/zinc/39/44/71/523394471.db2.gz GDFVMKIHKXCIGH-HXUWFJFHSA-N 0 3 428.577 3.016 50 0 IGAAHN COc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(Cc2ccc(F)cc2)CC1 ZINC000012430237 523698067 /nfs/dbraw/zinc/69/80/67/523698067.db2.gz RIRHKFVJQQVZLM-UHFFFAOYSA-N 0 3 429.536 3.169 50 0 IGAAHN CN1c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2N2CCCC[C@@H]2C1=O ZINC000021938523 524031656 /nfs/dbraw/zinc/03/16/56/524031656.db2.gz PWMNTRSFYCTWJE-HSZRJFAPSA-N 0 3 432.568 3.416 50 0 IGAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021860346 524111712 /nfs/dbraw/zinc/11/17/12/524111712.db2.gz HHQSYSXBHQMACU-LJQANCHMSA-N 0 3 443.551 3.302 50 0 IGAAHN COc1ccc([C@@H]2CCCN2CCOc2ccc(S(=O)(=O)N(C)C)cc2)c(OC)c1 ZINC000012799469 525250156 /nfs/dbraw/zinc/25/01/56/525250156.db2.gz NPYXDRDKUKRAOJ-NRFANRHFSA-N 0 3 434.558 3.170 50 0 IGAAHN Cc1c(C(=O)NC[C@H]2CCCN(C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012128489 525624750 /nfs/dbraw/zinc/62/47/50/525624750.db2.gz GUYFNQZVMXHVBU-GOSISDBHSA-N 0 3 430.556 3.198 50 0 IGAAHN Cc1ccc(C(=O)Nc2cnc(N3CCNCC3)c(C(=O)N(C)Cc3ccccc3)c2)cc1 ZINC000035514075 526227318 /nfs/dbraw/zinc/22/73/18/526227318.db2.gz QLRFZEVILHDTNF-UHFFFAOYSA-N 0 3 443.551 3.324 50 0 IGAAHN O=C(CCC1CCN(Cc2ccc(CO)o2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012373121 526407906 /nfs/dbraw/zinc/40/79/06/526407906.db2.gz LMVGFXPRHPCGHN-QFIPXVFZSA-N 0 3 425.573 3.155 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000011703849 535560473 /nfs/dbraw/zinc/56/04/73/535560473.db2.gz WIOCYEONRUITRP-OAQYLSRUSA-N 0 3 433.600 3.449 50 0 IGAAHN CN(CCCNC(=O)CCC(=O)N1CCOc2ccc(Cl)cc21)Cc1ccccc1 ZINC000009286891 536352408 /nfs/dbraw/zinc/35/24/08/536352408.db2.gz CFFTXLRRYXYCAJ-UHFFFAOYSA-N 0 3 429.948 3.484 50 0 IGAAHN COc1ccc(CCNC(=O)C2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000004614541 556004272 /nfs/dbraw/zinc/00/42/72/556004272.db2.gz VDTULHIDRIVHNP-UHFFFAOYSA-N 0 3 426.513 3.003 50 0 IGAAHN Nc1nonc1C(=O)NCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000009194345 556254539 /nfs/dbraw/zinc/25/45/39/556254539.db2.gz OMHNPCXXDSGNRI-UHFFFAOYSA-N 0 3 436.299 3.057 50 0 IGAAHN CN(C)[C@@H](CNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)Cc1ccccc1 ZINC000014188579 556387014 /nfs/dbraw/zinc/38/70/14/556387014.db2.gz MOHBMMOOAPTRFM-JOCHJYFZSA-N 0 3 441.531 3.386 50 0 IGAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1cccc(Cl)c1)C2 ZINC000014532905 556421590 /nfs/dbraw/zinc/42/15/90/556421590.db2.gz WAVISZSLHSKHAC-LJQANCHMSA-N 0 3 430.980 3.312 50 0 IGAAHN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014537272 556424028 /nfs/dbraw/zinc/42/40/28/556424028.db2.gz WVTWNDALWCCRML-UHFFFAOYSA-N 0 3 443.569 3.202 50 0 IGAAHN Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C ZINC000014745610 556440729 /nfs/dbraw/zinc/44/07/29/556440729.db2.gz VPUBCAXRVKYGGO-UHFFFAOYSA-N 0 3 431.540 3.311 50 0 IGAAHN CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1cccc(OC)c1OC)C2 ZINC000014748707 556442384 /nfs/dbraw/zinc/44/23/84/556442384.db2.gz ZQNOWMMGTLQTAY-GOSISDBHSA-N 0 3 426.561 3.193 50 0 IGAAHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3)N(C)C)CC2)cc1C ZINC000013072477 556454014 /nfs/dbraw/zinc/45/40/14/556454014.db2.gz JBAPMFHIHJNBRD-HSZRJFAPSA-N 0 3 443.613 3.123 50 0 IGAAHN Cc1ccc(-n2cccn2)c(CN2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)c1 ZINC000014980536 556470581 /nfs/dbraw/zinc/47/05/81/556470581.db2.gz SWGSMZOKDGPUKJ-IBGZPJMESA-N 0 3 434.544 3.189 50 0 IGAAHN COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c(OC)c1 ZINC000033326834 556562128 /nfs/dbraw/zinc/56/21/28/556562128.db2.gz AVTOTRXFZYGTIA-UHFFFAOYSA-N 0 3 440.548 3.147 50 0 IGAAHN C[NH+](C)CCOc1ccc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)cc1 ZINC000409413793 556641023 /nfs/dbraw/zinc/64/10/23/556641023.db2.gz DFIRQVABJKTEEA-UHFFFAOYSA-N 0 3 428.485 3.094 50 0 IGAAHN CCOc1cc(CNCCSc2nnnn2C)cc(Br)c1OC(C)C ZINC000040721875 556647684 /nfs/dbraw/zinc/64/76/84/556647684.db2.gz MZQKVVTVGFDDHL-UHFFFAOYSA-N 0 3 430.372 3.040 50 0 IGAAHN COc1ccc(CN(C)Cc2cnc3ccccn23)cc1OC[C@@H](O)CN1CCCCC1 ZINC000055099928 556734703 /nfs/dbraw/zinc/73/47/03/556734703.db2.gz HHTVQZLDKSITHT-QFIPXVFZSA-N 0 3 438.572 3.201 50 0 IGAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4ccccc4OC)c(C)c32)CC1 ZINC000033048378 556744766 /nfs/dbraw/zinc/74/47/66/556744766.db2.gz YEYSWWOFRGMBML-UHFFFAOYSA-N 0 3 439.585 3.470 50 0 IGAAHN O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCC(Cc2ccccc2)CC1 ZINC000057992249 556751228 /nfs/dbraw/zinc/75/12/28/556751228.db2.gz XXPGCOIBROTMEE-MHZLTWQESA-N 0 3 446.595 3.485 50 0 IGAAHN CN1CCCN(c2ccc(CNC(=O)Cc3csc(-c4ccsc4)n3)cn2)CC1 ZINC000058106439 556758790 /nfs/dbraw/zinc/75/87/90/556758790.db2.gz GFXRLUPNKPCXFX-UHFFFAOYSA-N 0 3 427.599 3.267 50 0 IGAAHN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1CN1CCC(CO)CC1 ZINC000058264836 556776435 /nfs/dbraw/zinc/77/64/35/556776435.db2.gz XZWKAUZWUAIKHJ-GOSISDBHSA-N 0 3 436.556 3.067 50 0 IGAAHN CC[C@@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000058935690 556793104 /nfs/dbraw/zinc/79/31/04/556793104.db2.gz JYSIBJSTHSCIDX-XJKSGUPXSA-N 0 3 425.938 3.484 50 0 IGAAHN Cc1ccc(NC(=O)c2nnc(C(=O)NCCCN3CCc4ccccc4C3)s2)cc1 ZINC000033061077 556816799 /nfs/dbraw/zinc/81/67/99/556816799.db2.gz RVFYBKXKLCTKNN-UHFFFAOYSA-N 0 3 435.553 3.277 50 0 IGAAHN CN1CCC(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 ZINC000065363317 556834807 /nfs/dbraw/zinc/83/48/07/556834807.db2.gz ZCZLHPAMCVJDHU-UHFFFAOYSA-N 0 3 435.977 3.130 50 0 IGAAHN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 ZINC000067623114 556845106 /nfs/dbraw/zinc/84/51/06/556845106.db2.gz MBMTZXDPGDIWBT-UHFFFAOYSA-N 0 3 440.935 3.430 50 0 IGAAHN Cc1ccc(N(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C ZINC000067630057 556845144 /nfs/dbraw/zinc/84/51/44/556845144.db2.gz FWGWWKXMTYNQDJ-UHFFFAOYSA-N 0 3 429.586 3.094 50 0 IGAAHN Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1C ZINC000019836867 556928474 /nfs/dbraw/zinc/92/84/74/556928474.db2.gz BUNVLXAHXPTXQT-UHFFFAOYSA-N 0 3 435.547 3.373 50 0 IGAAHN Cc1c(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019838687 556928799 /nfs/dbraw/zinc/92/87/99/556928799.db2.gz ARPPWFFZPZVPDS-VWLOTQADSA-N 0 3 445.611 3.271 50 0 IGAAHN O=C(c1cc(-c2cccs2)[nH]n1)N1CCCN([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097139503 556992053 /nfs/dbraw/zinc/99/20/53/556992053.db2.gz IENRUAOIHULQMP-NRFANRHFSA-N 0 3 449.580 3.087 50 0 IGAAHN C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCc2ccc(O)cc2)C[C@H](C)O1 ZINC000020363351 557011889 /nfs/dbraw/zinc/01/18/89/557011889.db2.gz OBMQHCAYSFHCMB-IYBDPMFKSA-N 0 3 442.947 3.275 50 0 IGAAHN CCOC(=O)c1cccc(OC[C@@H](O)CNC[C@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000022927442 557049061 /nfs/dbraw/zinc/04/90/61/557049061.db2.gz UVKAVXQXORDLJD-XUZZJYLKSA-N 0 3 442.556 3.038 50 0 IGAAHN Cc1nccn1CCCNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000023338003 557084884 /nfs/dbraw/zinc/08/48/84/557084884.db2.gz YYIXAKKFQQDHTF-UHFFFAOYSA-N 0 3 433.556 3.450 50 0 IGAAHN COC(=O)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000011615402 557211469 /nfs/dbraw/zinc/21/14/69/557211469.db2.gz LIJDMLCTJTUYSF-FQEVSTJZSA-N 0 3 438.455 3.216 50 0 IGAAHN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000011615403 557211530 /nfs/dbraw/zinc/21/15/30/557211530.db2.gz LIJDMLCTJTUYSF-HXUWFJFHSA-N 0 3 438.455 3.216 50 0 IGAAHN COCCN(C[C@H]1CN(Cc2ccccc2F)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247857092 557461898 /nfs/dbraw/zinc/46/18/98/557461898.db2.gz UMKHRNCSXVCCLL-IRLDBZIGSA-N 0 3 432.511 3.302 50 0 IGAAHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000225758875 557773730 /nfs/dbraw/zinc/77/37/30/557773730.db2.gz MEPXIYVHUFAFNY-JOCHJYFZSA-N 0 3 441.597 3.158 50 0 IGAAHN Cc1cc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)ccc1S(C)(=O)=O ZINC000685939936 557838863 /nfs/dbraw/zinc/83/88/63/557838863.db2.gz RPIHIUBUEMRAJU-PMACEKPBSA-N 0 3 427.570 3.384 50 0 IGAAHN COc1cc(CN2CCc3ccccc3C2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000015073212 568635721 /nfs/dbraw/zinc/63/57/21/568635721.db2.gz UGGJENCULARKJM-QFIPXVFZSA-N 0 3 428.598 3.042 50 0 IGAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1cn2c(n1)SCC2 ZINC000299774246 568756856 /nfs/dbraw/zinc/75/68/56/568756856.db2.gz FIXLWWRQOMHRIU-OAHLLOKOSA-N 0 3 434.949 3.042 50 0 IGAAHN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23c2cccc(C)c2NC3=O)cc1 ZINC000016026870 568864629 /nfs/dbraw/zinc/86/46/29/568864629.db2.gz QMRDWBOJBXXNFN-JVFUWBCBSA-N 0 3 433.508 3.442 50 0 IGAAHN O=C(NCCN1CCCCC1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681197 568991260 /nfs/dbraw/zinc/99/12/60/568991260.db2.gz KCLIXHQXQZJNKS-UHFFFAOYSA-N 0 3 447.514 3.052 50 0 IGAAHN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCCN(C)C)CC1 ZINC000065006941 569087460 /nfs/dbraw/zinc/08/74/60/569087460.db2.gz RRFJNULHNAHGRO-OAHLLOKOSA-N 0 3 446.592 3.424 50 0 IGAAHN O=C(NCCN1CCCCCC1)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000065023597 569089381 /nfs/dbraw/zinc/08/93/81/569089381.db2.gz KWOXWHVKAVSGOJ-HXUWFJFHSA-N 0 3 425.552 3.491 50 0 IGAAHN CCCCN(CC)C(=O)c1cc(NC(=O)c2ccc(F)cc2)cnc1N1CCNCC1 ZINC000065025344 569090561 /nfs/dbraw/zinc/09/05/61/569090561.db2.gz YNMLIVGVISHDRX-UHFFFAOYSA-N 0 3 427.524 3.145 50 0 IGAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1OC)CN(Cc1ccccc1)CC2 ZINC000065153509 569111927 /nfs/dbraw/zinc/11/19/27/569111927.db2.gz XGONEKYOPUKNKR-UHFFFAOYSA-N 0 3 432.524 3.011 50 0 IGAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1c(F)cccc1F)CN(Cc1ccccc1)CC2 ZINC000065153586 569112127 /nfs/dbraw/zinc/11/21/27/569112127.db2.gz VJUUCCLFTXNQFQ-UHFFFAOYSA-N 0 3 438.478 3.281 50 0 IGAAHN O=C(c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1)N1CCN(c2ccccc2)CC1 ZINC000065255984 569123043 /nfs/dbraw/zinc/12/30/43/569123043.db2.gz WQVKRSNPOBMVLH-XMMPIXPASA-N 0 3 427.552 3.195 50 0 IGAAHN COc1ccc(CNC(=O)c2cccnc2N2CCN[C@H](c3ccccc3)C2)c(OC)c1 ZINC000065255766 569123085 /nfs/dbraw/zinc/12/30/85/569123085.db2.gz MQPZRSUDQBEANS-QFIPXVFZSA-N 0 3 432.524 3.180 50 0 IGAAHN O=C(NCCN1CCc2ccccc2C1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065256032 569123107 /nfs/dbraw/zinc/12/31/07/569123107.db2.gz ZZGDMZPJGAAPRT-VWLOTQADSA-N 0 3 441.579 3.021 50 0 IGAAHN COc1ccc(CNC(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)cc1OC ZINC000065256284 569123232 /nfs/dbraw/zinc/12/32/32/569123232.db2.gz UITVWVISTRIFEP-OAQYLSRUSA-N 0 3 432.524 3.180 50 0 IGAAHN Cc1nn(C)c(C)c1CCCN(C)C(=O)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256343 569123327 /nfs/dbraw/zinc/12/33/27/569123327.db2.gz IMDLJUJVTXGFDU-DEOSSOPVSA-N 0 3 446.599 3.288 50 0 IGAAHN CN(C)C(=O)c1cc2c(s1)CC[C@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000065273016 569129262 /nfs/dbraw/zinc/12/92/62/569129262.db2.gz MJGHDUQPIPPBRU-SFHVURJKSA-N 0 3 425.598 3.336 50 0 IGAAHN Fc1ccc(-n2c(CN3CCC(n4cncn4)CC3)csc2=NC[C@H]2CCCO2)cc1 ZINC000252504405 569188178 /nfs/dbraw/zinc/18/81/78/569188178.db2.gz AVFDVBHFPLFAQT-OAQYLSRUSA-N 0 3 442.564 3.186 50 0 IGAAHN Cc1cn(Cc2ccc(C(=O)NCCN(C)C)cc2)/c(=N/C(=O)c2ccc(F)cc2)s1 ZINC000037427636 569195868 /nfs/dbraw/zinc/19/58/68/569195868.db2.gz WSPOYZPOUOQLKL-RWEWTDSWSA-N 0 3 440.544 3.078 50 0 IGAAHN CC(C)OCCCC(=O)N(C)CCN(CCN1CCCCC1)C(=O)CCCOC(C)C ZINC000328592036 569317181 /nfs/dbraw/zinc/31/71/81/569317181.db2.gz QAJAUCDWNZFMKM-UHFFFAOYSA-N 0 3 441.657 3.170 50 0 IGAAHN CCN1CCN(C[C@H](C)CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000078808636 569319126 /nfs/dbraw/zinc/31/91/26/569319126.db2.gz JVSNHOKNPMXANY-QGZVFWFLSA-N 0 3 433.984 3.103 50 0 IGAAHN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC000079105476 569325616 /nfs/dbraw/zinc/32/56/16/569325616.db2.gz VBNQLSDSIJMTSU-XMMPIXPASA-N 0 3 446.592 3.390 50 0 IGAAHN Cc1c2cnn(CC(=O)NCCN3CCCCCC3)c(=O)c2c(C)n1Cc1ccc(C)cc1 ZINC000020417163 569364927 /nfs/dbraw/zinc/36/49/27/569364927.db2.gz VWFNCTMTJDBLCN-UHFFFAOYSA-N 0 3 449.599 3.164 50 0 IGAAHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@H](NCCCN1CCCC1=O)c1ccccc1O2 ZINC000095455503 569368526 /nfs/dbraw/zinc/36/85/26/569368526.db2.gz MLIIPJIXOWWSFX-CYFREDJKSA-N 0 3 429.561 3.492 50 0 IGAAHN CN(C)CCN(CC(=O)OC(C)(C)C)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000095460533 569369617 /nfs/dbraw/zinc/36/96/17/569369617.db2.gz XXCSSBRFESLGMM-UHFFFAOYSA-N 0 3 425.455 3.267 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000031662609 569456963 /nfs/dbraw/zinc/45/69/63/569456963.db2.gz JGMMHCNAFCVYFZ-UHFFFAOYSA-N 0 3 442.510 3.097 50 0 IGAAHN O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000008187447 569462455 /nfs/dbraw/zinc/46/24/55/569462455.db2.gz IYMKLHRVBKXRIK-UHFFFAOYSA-N 0 3 427.570 3.278 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933050 569487744 /nfs/dbraw/zinc/48/77/44/569487744.db2.gz ZBNQMYWVTHTHTM-FQEVSTJZSA-N 0 3 443.551 3.000 50 0 IGAAHN CC(C(=O)N1C[C@H](C)C[C@H](C)C1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000040106127 569488381 /nfs/dbraw/zinc/48/83/81/569488381.db2.gz KLEWIAORGQQMCJ-QLFBSQMISA-N 0 3 429.966 3.309 50 0 IGAAHN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000009373096 569526994 /nfs/dbraw/zinc/52/69/94/569526994.db2.gz CCYTXQHZUVEVMF-UHFFFAOYSA-N 0 3 446.642 3.196 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000009432583 569534410 /nfs/dbraw/zinc/53/44/10/569534410.db2.gz JMVAICMXEKIGAQ-ZPMCFJSWSA-N 0 3 441.597 3.276 50 0 IGAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000009743241 569565509 /nfs/dbraw/zinc/56/55/09/569565509.db2.gz SOHSRNWUICKMKG-JOCHJYFZSA-N 0 3 438.531 3.449 50 0 IGAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3cccc(Cl)c3)nc1=O)CCC2 ZINC000009745534 569565673 /nfs/dbraw/zinc/56/56/73/569565673.db2.gz NLHTWHBGQPXARP-UHFFFAOYSA-N 0 3 434.993 3.458 50 0 IGAAHN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000010281215 569580478 /nfs/dbraw/zinc/58/04/78/569580478.db2.gz FTYYKXXXEZRTHR-UHFFFAOYSA-N 0 3 429.586 3.161 50 0 IGAAHN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](c1cccc2ccccc21)N1CCCC1 ZINC000010333993 569581088 /nfs/dbraw/zinc/58/10/88/569581088.db2.gz IYDCMQORIUUPIF-JOCHJYFZSA-N 0 3 445.519 3.138 50 0 IGAAHN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](c1cccc2ccccc21)N1CCCC1 ZINC000010334002 569581117 /nfs/dbraw/zinc/58/11/17/569581117.db2.gz IYDCMQORIUUPIF-QFIPXVFZSA-N 0 3 445.519 3.138 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000008616767 132288620 /nfs/dbraw/zinc/28/86/20/132288620.db2.gz APKLYDQORZCDKB-UHFFFAOYSA-N 0 3 447.505 3.493 50 0 IGAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccc(Cl)s1)C2 ZINC000014539391 519533164 /nfs/dbraw/zinc/53/31/64/519533164.db2.gz ISRMEKZBLAFEIW-OAHLLOKOSA-N 0 3 437.009 3.374 50 0 IGAAHN CCOC(=O)C1C(CN2CCN(C3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560232 520514197 /nfs/dbraw/zinc/51/41/97/520514197.db2.gz CKNRQAYCIWLSPY-HSZRJFAPSA-N 0 3 440.588 3.116 50 0 IGAAHN CCOC(=O)c1ccc(NC(=S)NCCCN2CCN(C3CCCCC3)CC2)cc1 ZINC000022932053 521517021 /nfs/dbraw/zinc/51/70/21/521517021.db2.gz FVVMSWQHWPHION-UHFFFAOYSA-N 0 3 432.634 3.490 50 0 IGAAHN COc1ccc(C(=O)[C@H]2CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)cc1OC ZINC000020908689 523779926 /nfs/dbraw/zinc/77/99/26/523779926.db2.gz VBSSJVPIYVKBRA-SFHVURJKSA-N 0 3 435.524 3.239 50 0 IGAAHN CN1CCCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)CC1 ZINC000012738112 523812223 /nfs/dbraw/zinc/81/22/23/523812223.db2.gz DFCMNIUDGXFDQP-UHFFFAOYSA-N 0 3 429.615 3.394 50 0 IGAAHN CCc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)N(C)C)cc1 ZINC000012785245 524029888 /nfs/dbraw/zinc/02/98/88/524029888.db2.gz GODFPPMARMQGFV-HXUWFJFHSA-N 0 3 437.993 3.185 50 0 IGAAHN C[C@H]1Cc2cc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)ccc2N1S(C)(=O)=O ZINC000012779700 524979647 /nfs/dbraw/zinc/97/96/47/524979647.db2.gz BHJQPPOSZNLGRB-KXBFYZLASA-N 0 3 433.599 3.026 50 0 IGAAHN Cc1ccc([C@@H](C)CCN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1 ZINC000012205629 525679970 /nfs/dbraw/zinc/67/99/70/525679970.db2.gz ZIFXFCCCLGKBPA-KRWDZBQOSA-N 0 3 439.535 3.229 50 0 IGAAHN Cc1c(CNCCNC(=O)c2nonc2N)c2ccccc2n1Cc1ccccc1Cl ZINC000040744396 525725658 /nfs/dbraw/zinc/72/56/58/525725658.db2.gz BYPZCRUCQYNRLZ-UHFFFAOYSA-N 0 3 438.919 3.136 50 0 IGAAHN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)NC1CCN(Cc2ccccc2)CC1 ZINC000012323552 526838448 /nfs/dbraw/zinc/83/84/48/526838448.db2.gz ZPXVJYGWZUBGIT-UHFFFAOYSA-N 0 3 445.567 3.016 50 0 IGAAHN O[C@@H](COc1ccccc1CNCc1cc2cc(F)ccc2[nH]1)CN1CCSCC1 ZINC000012385756 527662096 /nfs/dbraw/zinc/66/20/96/527662096.db2.gz LMSILBOCXJVHLB-OAQYLSRUSA-N 0 3 429.561 3.385 50 0 IGAAHN CC(C)(C)c1ccc2c(c1)N(CC(=O)NCCCN1CCc3ccccc3C1)C(=O)CO2 ZINC000002912674 535123675 /nfs/dbraw/zinc/12/36/75/535123675.db2.gz KKPZIUTZDDMTFO-UHFFFAOYSA-N 0 3 435.568 3.274 50 0 IGAAHN Cc1cc([C@@H]2CC[C@@H](C(=O)NCCN(C)C)CN2C(=O)NCc2ccccc2)ccc1F ZINC000034716053 555865399 /nfs/dbraw/zinc/86/53/99/555865399.db2.gz AVYHGRKFDBLTID-GGAORHGYSA-N 0 3 440.563 3.475 50 0 IGAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)ccc1O ZINC000013750742 556299018 /nfs/dbraw/zinc/29/90/18/556299018.db2.gz ZLIJLRZZUHFMRB-ZRBLBEILSA-N 0 3 446.459 3.461 50 0 IGAAHN CN(Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21)C1CCOCC1 ZINC000011664850 556345591 /nfs/dbraw/zinc/34/55/91/556345591.db2.gz RXZXNJUCMRVQIV-UHFFFAOYSA-N 0 3 439.604 3.036 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n(CCc2ccccc2Cl)c1COC ZINC000011784106 556352536 /nfs/dbraw/zinc/35/25/36/556352536.db2.gz YCSKOBCFETYENT-IBGZPJMESA-N 0 3 445.991 3.413 50 0 IGAAHN COc1cccc(-n2c(CNC(=O)/C=C/c3cccs3)nnc2SCCN(C)C)c1 ZINC000011790777 556355662 /nfs/dbraw/zinc/35/56/62/556355662.db2.gz MFQOZOGXHBSJPI-MDZDMXLPSA-N 0 3 443.598 3.321 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)N2CCN(Cc3ccsc3)CC2)N2CCCC2)cc1 ZINC000014165282 556379391 /nfs/dbraw/zinc/37/93/91/556379391.db2.gz OHXPWDYJCQZZMM-JOCHJYFZSA-N 0 3 428.602 3.421 50 0 IGAAHN CC1(C)[C@@H]2C[C@H]1C(CN1CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC1)=CC2 ZINC000011978385 556383519 /nfs/dbraw/zinc/38/35/19/556383519.db2.gz VLZRFEUFZZLGFV-FPOVZHCZSA-N 0 3 437.563 3.127 50 0 IGAAHN COc1cc(OC)c(OC)cc1CN1CCC2(CC[C@@H](CNC(=O)c3ccco3)O2)CC1 ZINC000011999537 556385273 /nfs/dbraw/zinc/38/52/73/556385273.db2.gz GWTCCEPQMFHFPS-SFHVURJKSA-N 0 3 444.528 3.249 50 0 IGAAHN COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C(C)C)cc1)CC2 ZINC000012041737 556391044 /nfs/dbraw/zinc/39/10/44/556391044.db2.gz FPPWDGODKIFUAN-NRFANRHFSA-N 0 3 427.593 3.310 50 0 IGAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)cc1OC ZINC000012058012 556394991 /nfs/dbraw/zinc/39/49/91/556394991.db2.gz PZGWAWRHXVSAEO-HXUWFJFHSA-N 0 3 429.561 3.407 50 0 IGAAHN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014740750 556438487 /nfs/dbraw/zinc/43/84/87/556438487.db2.gz PPRFPTIXEFQXCO-UHFFFAOYSA-N 0 3 433.552 3.099 50 0 IGAAHN O=C(CCc1ccco1)N1CCC2(C[C@@H]2C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000014970961 556467206 /nfs/dbraw/zinc/46/72/06/556467206.db2.gz JMGCPBQQOHJIHQ-JOCHJYFZSA-N 0 3 427.589 3.318 50 0 IGAAHN CCN1CCC[C@H](OC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)C1 ZINC000032962589 556582579 /nfs/dbraw/zinc/58/25/79/556582579.db2.gz SKYVQRGSKJSHFV-FQEVSTJZSA-N 0 3 428.554 3.469 50 0 IGAAHN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1 ZINC000036314001 556596565 /nfs/dbraw/zinc/59/65/65/556596565.db2.gz QPJSXNKFXCXNND-JOCHJYFZSA-N 0 3 443.588 3.424 50 0 IGAAHN COc1ccc(N2C[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1Cl ZINC000011865992 556665722 /nfs/dbraw/zinc/66/57/22/556665722.db2.gz AMKPOAFVUUBTBO-SFHVURJKSA-N 0 3 441.959 3.482 50 0 IGAAHN CCN(C(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)CCN(CC)C2)c1ccccc1 ZINC000062007153 556765378 /nfs/dbraw/zinc/76/53/78/556765378.db2.gz MYMZGVROJFQFJY-UHFFFAOYSA-N 0 3 434.515 3.481 50 0 IGAAHN CCN1CCc2nc(-c3ccccc3)n(CC(=O)N3CCOc4ccc(C)cc43)c(=O)c2C1 ZINC000062007139 556765383 /nfs/dbraw/zinc/76/53/83/556765383.db2.gz LVFZEIJBZUZNOY-UHFFFAOYSA-N 0 3 444.535 3.022 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000097943960 556814831 /nfs/dbraw/zinc/81/48/31/556814831.db2.gz WXSFUHIEUOZJDB-QFIPXVFZSA-N 0 3 435.503 3.083 50 0 IGAAHN CCN(CC)[C@@H]1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2Cc2ccccc2F)C1 ZINC000019609050 556831655 /nfs/dbraw/zinc/83/16/55/556831655.db2.gz NVTVDQKCYJMZBD-LJQANCHMSA-N 0 3 436.597 3.169 50 0 IGAAHN Nc1ncnc2c1=NC(SCc1nc3ccccc3c(=O)n1-c1ccccc1Cl)N=2 ZINC000096602609 556838051 /nfs/dbraw/zinc/83/80/51/556838051.db2.gz DRUVNSNILYGZBY-FQEVSTJZSA-N 0 3 435.900 3.018 50 0 IGAAHN CCn1c2ccccc2nc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O ZINC000033259788 556899022 /nfs/dbraw/zinc/89/90/22/556899022.db2.gz KAVPVKIQFXYIAN-UHFFFAOYSA-N 0 3 436.581 3.289 50 0 IGAAHN Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)c1 ZINC000023129721 557066276 /nfs/dbraw/zinc/06/62/76/557066276.db2.gz IEFVMUWWAFLYNX-INIZCTEOSA-N 0 3 425.483 3.414 50 0 IGAAHN COc1cccc([C@@H](CNC(=O)CNC(=O)Cc2cccc3ccccc32)N2CCCC2)c1 ZINC000024836701 557166511 /nfs/dbraw/zinc/16/65/11/557166511.db2.gz YEFXTZAZHSHDLZ-RUZDIDTESA-N 0 3 445.563 3.460 50 0 IGAAHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000102708824 557367651 /nfs/dbraw/zinc/36/76/51/557367651.db2.gz HGEYGPHKXWJQND-BHIFYINESA-N 0 3 444.443 3.230 50 0 IGAAHN CCOc1cc(CNCCOc2ccccn2)ccc1Oc1nnnn1-c1ccccc1 ZINC000113395594 557373045 /nfs/dbraw/zinc/37/30/45/557373045.db2.gz AXJDJAUBXRJRDC-UHFFFAOYSA-N 0 3 432.484 3.417 50 0 IGAAHN O=C(c1ccsc1)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575560361 557463111 /nfs/dbraw/zinc/46/31/11/557463111.db2.gz YKKWYMJVFXAHJC-FQEVSTJZSA-N 0 3 426.586 3.119 50 0 IGAAHN Cc1cc(=O)c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC000109047777 557545703 /nfs/dbraw/zinc/54/57/03/557545703.db2.gz ATIOQVYOHRCPKD-CABCVRRESA-N 0 3 436.478 3.410 50 0 IGAAHN COCCNC(=O)[C@@H]1C[C@H](NCc2cc(F)ccc2F)CN1Cc1ccccc1Cl ZINC000023374359 568613576 /nfs/dbraw/zinc/61/35/76/568613576.db2.gz FGNQIPOBFFQOPK-RXVVDRJESA-N 0 3 437.918 3.114 50 0 IGAAHN COc1ccc(-c2n[nH]cc2CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000015074074 568635519 /nfs/dbraw/zinc/63/55/19/568635519.db2.gz XFDFUDQYBQYBSI-QFIPXVFZSA-N 0 3 426.561 3.373 50 0 IGAAHN CCc1nnsc1C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000083820229 568782641 /nfs/dbraw/zinc/78/26/41/568782641.db2.gz FQKPEHHLGOOXEF-UHFFFAOYSA-N 0 3 439.379 3.136 50 0 IGAAHN Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c(C)c1 ZINC000015671284 568802585 /nfs/dbraw/zinc/80/25/85/568802585.db2.gz MHXYLGRKNCIBGR-UHFFFAOYSA-N 0 3 443.617 3.211 50 0 IGAAHN COc1cc2c(cc1OC)CN(Cc1c(O)c(=O)cc(CN3CCCCCC3)n1C)CC2 ZINC000085879537 568839165 /nfs/dbraw/zinc/83/91/65/568839165.db2.gz KMPIMQVELROHPD-UHFFFAOYSA-N 0 3 441.572 3.042 50 0 IGAAHN Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@H]3CO)c2)n1 ZINC000240471655 568911971 /nfs/dbraw/zinc/91/19/71/568911971.db2.gz GDMHGZPAMCLMGT-XUZZJYLKSA-N 0 3 433.556 3.494 50 0 IGAAHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)C1 ZINC000241371271 568912193 /nfs/dbraw/zinc/91/21/93/568912193.db2.gz MLYMOVNUUHOSHB-WVSSGHNYSA-N 0 3 440.588 3.075 50 0 IGAAHN Cc1ccc(Oc2cnn(C)c(=O)c2Nc2cccc(C(=O)NCCN(C)C)c2)c(C)c1 ZINC000036073215 568945709 /nfs/dbraw/zinc/94/57/09/568945709.db2.gz JHHRKPPDSRJXTC-UHFFFAOYSA-N 0 3 435.528 3.224 50 0 IGAAHN CCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COCC(C)C ZINC000036151043 568964081 /nfs/dbraw/zinc/96/40/81/568964081.db2.gz KMRKOSOCNCUPGM-OAQYLSRUSA-N 0 3 431.577 3.424 50 0 IGAAHN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](C)O)CC2CC2)c1 ZINC000169679526 568991030 /nfs/dbraw/zinc/99/10/30/568991030.db2.gz IYKFUFJACGNUFC-VGOFRKELSA-N 0 3 444.597 3.354 50 0 IGAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369539 569088444 /nfs/dbraw/zinc/08/84/44/569088444.db2.gz MWPMSHAXOHRZSG-VTQYNGMESA-N 0 3 439.596 3.341 50 0 IGAAHN CC1CCN(C(=O)c2cc(NC(=O)c3cccc(Cl)c3)cnc2N2CCNCC2)CC1 ZINC000065025432 569090654 /nfs/dbraw/zinc/09/06/54/569090654.db2.gz WTGRCLUNPDXPIC-UHFFFAOYSA-N 0 3 441.963 3.269 50 0 IGAAHN O=C(c1cccnc1N1CCN[C@H](c2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065255824 569122989 /nfs/dbraw/zinc/12/29/89/569122989.db2.gz WOYPHZUJOOOWCM-DEOSSOPVSA-N 0 3 445.542 3.334 50 0 IGAAHN O=C(c1cccnc1N1CCN[C@H](c2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000065255818 569123089 /nfs/dbraw/zinc/12/30/89/569123089.db2.gz LUIGHIJNDJQTEA-DEOSSOPVSA-N 0 3 427.552 3.195 50 0 IGAAHN Cc1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c(Br)n1 ZINC000089626719 569159952 /nfs/dbraw/zinc/15/99/52/569159952.db2.gz SHHMEKLZEQPVEI-UHFFFAOYSA-N 0 3 431.378 3.485 50 0 IGAAHN CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@@H](CC)CN1CC(C)(C)O ZINC000252587312 569191610 /nfs/dbraw/zinc/19/16/10/569191610.db2.gz XJLVBEJGGDSBOL-NNWRFLSQSA-N 0 3 447.595 3.150 50 0 IGAAHN COc1ccc(CCC(=O)N2CCC3(CC2)C[C@@H](N2CCN(C(C)C)CC2)CCO3)cc1 ZINC000581819707 569211463 /nfs/dbraw/zinc/21/14/63/569211463.db2.gz CYWBMLXBBNBNJN-QHCPKHFHSA-N 0 3 443.632 3.194 50 0 IGAAHN Cc1ccc(CNC(=O)N2CCC3(CC2)C[C@H](N2CCN(CC(C)C)CC2)CCO3)cc1 ZINC000581819793 569211560 /nfs/dbraw/zinc/21/15/60/569211560.db2.gz LHJCCAYGNVZDNH-XMMPIXPASA-N 0 3 442.648 3.492 50 0 IGAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)NCCc4ccccc4)CC3)C2)CC1 ZINC000581820078 569211812 /nfs/dbraw/zinc/21/18/12/569211812.db2.gz QGQCHPKOMKOUEN-DEOSSOPVSA-N 0 3 442.648 3.226 50 0 IGAAHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(OCCOC)nc1 ZINC000095408310 569364760 /nfs/dbraw/zinc/36/47/60/569364760.db2.gz SJCFCIWKXQELOX-HXUWFJFHSA-N 0 3 428.533 3.331 50 0 IGAAHN CCCN(CCN(CC)CC)CC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000095943051 569375680 /nfs/dbraw/zinc/37/56/80/569375680.db2.gz WGHDIEJGGRNBGQ-UHFFFAOYSA-N 0 3 428.371 3.213 50 0 IGAAHN COc1ccc([C@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)N2CCCC2)cc1 ZINC000008313986 569462579 /nfs/dbraw/zinc/46/25/79/569462579.db2.gz CGVKYHIQYLCILQ-FPOVZHCZSA-N 0 3 425.554 3.451 50 0 IGAAHN COc1ccc(C2=NN(CC(=O)NCCN(Cc3ccccc3)C(C)C)C(=O)CC2)cc1 ZINC000008813143 569476687 /nfs/dbraw/zinc/47/66/87/569476687.db2.gz ALMSIMFYGHMUMG-UHFFFAOYSA-N 0 3 436.556 3.049 50 0 IGAAHN Cc1ccc(-c2noc(CS(=O)(=O)C(C)C(=O)NC[C@H](C)c3ccccc3)n2)cc1 ZINC000040121899 569489560 /nfs/dbraw/zinc/48/95/60/569489560.db2.gz DKOGJHDWZWXZTO-IRXDYDNUSA-N 0 3 427.526 3.268 50 0 IGAAHN Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(CCN(C)C)c2c1CCCC2 ZINC000009747425 569565860 /nfs/dbraw/zinc/56/58/60/569565860.db2.gz UCESZFRHZNDNJQ-UHFFFAOYSA-N 0 3 434.993 3.376 50 0 IGAAHN CCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1N1CC[NH2+]CC1 ZINC000021664302 520392767 /nfs/dbraw/zinc/39/27/67/520392767.db2.gz APWNYVVTYRHQGL-UHFFFAOYSA-N 0 3 444.601 3.078 50 0 IGAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)CC1 ZINC000020907135 520962111 /nfs/dbraw/zinc/96/21/11/520962111.db2.gz IGLNXFVTSGGACX-FQEVSTJZSA-N 0 3 431.968 3.469 50 0 IGAAHN CCN1CCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)[C@@H](C)C1=O ZINC000012299619 521669723 /nfs/dbraw/zinc/66/97/23/521669723.db2.gz OSZYUSCDYXREAV-NRFANRHFSA-N 0 3 449.595 3.465 50 0 IGAAHN CCN1CCN(CCCNC(=O)c2oc3ccc4c(c3c2C)[C@@H](O)CC(C)(C)O4)CC1 ZINC000020560075 521682171 /nfs/dbraw/zinc/68/21/71/521682171.db2.gz IQSYBHHZGHVOOU-KRWDZBQOSA-N 0 3 429.561 3.093 50 0 IGAAHN CCNC(=O)[C@@H]1C[C@@H](NCc2ccc(C(=O)OC)cc2)CN1Cc1ccc2ccccc2c1 ZINC000020598746 521744758 /nfs/dbraw/zinc/74/47/58/521744758.db2.gz PTLNAGNWKBFGNG-RPBOFIJWSA-N 0 3 445.563 3.495 50 0 IGAAHN CN(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021864524 521757109 /nfs/dbraw/zinc/75/71/09/521757109.db2.gz SDYMFHQLNDKHES-DEOSSOPVSA-N 0 3 426.561 3.363 50 0 IGAAHN COc1cc(CNCCCO)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040743767 522447187 /nfs/dbraw/zinc/44/71/87/522447187.db2.gz MDQYDNVARSSCBW-UHFFFAOYSA-N 0 3 437.334 3.256 50 0 IGAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CN1CCCC1=O ZINC000012439074 522657929 /nfs/dbraw/zinc/65/79/29/522657929.db2.gz SJTXNCOGRUXVNS-UHFFFAOYSA-N 0 3 425.495 3.041 50 0 IGAAHN COCCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCC[C@@H](C)C1 ZINC000012338176 523898387 /nfs/dbraw/zinc/89/83/87/523898387.db2.gz PHXAEDIYTZJWBE-GOSISDBHSA-N 0 3 440.540 3.456 50 0 IGAAHN COCCNC(=O)[C@@H]1C[C@@H](NCc2cc(F)ccc2F)CN1Cc1ccc(Cl)cc1 ZINC000020775630 523913862 /nfs/dbraw/zinc/91/38/62/523913862.db2.gz JXOLNTVFAAKCBG-CTNGQTDRSA-N 0 3 437.918 3.114 50 0 IGAAHN COc1ccc(CN(C)Cc2cc(C)no2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012452873 524006630 /nfs/dbraw/zinc/00/66/30/524006630.db2.gz JLWLETNFKQEAKE-QFIPXVFZSA-N 0 3 439.556 3.495 50 0 IGAAHN Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(C)c1 ZINC000020782858 524477333 /nfs/dbraw/zinc/47/73/33/524477333.db2.gz JXEOTBPZPSZBJN-QHCPKHFHSA-N 0 3 432.572 3.475 50 0 IGAAHN Cc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1NC(=O)C1=CSCCO1 ZINC000021019789 526162477 /nfs/dbraw/zinc/16/24/77/526162477.db2.gz LAUNMIVXUZAIHA-UHFFFAOYSA-N 0 3 425.554 3.400 50 0 IGAAHN C[C@H](C1CCN(C(=O)c2cn(Cc3cccc4ccccc43)nn2)CC1)N1CCOCC1 ZINC000020455820 526215878 /nfs/dbraw/zinc/21/58/78/526215878.db2.gz IDUSFYFVFVZLON-LJQANCHMSA-N 0 3 433.556 3.053 50 0 IGAAHN Cc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000035896726 526230033 /nfs/dbraw/zinc/23/00/33/526230033.db2.gz NATQXMHKJVRIJR-UHFFFAOYSA-N 0 3 429.524 3.432 50 0 IGAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000021793660 526963911 /nfs/dbraw/zinc/96/39/11/526963911.db2.gz DXFGKFHSKVDEIV-UHFFFAOYSA-N 0 3 430.350 3.110 50 0 IGAAHN Nc1nonc1C(=O)NCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000002212538 555758280 /nfs/dbraw/zinc/75/82/80/555758280.db2.gz AGEGLYOFSZSKEM-UHFFFAOYSA-N 0 3 435.459 3.043 50 0 IGAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000002345632 555770558 /nfs/dbraw/zinc/77/05/58/555770558.db2.gz RWYQVNKLGGZCFL-NRFANRHFSA-N 0 3 434.492 3.467 50 0 IGAAHN O=C(NCCN1CCCC1)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684574 555820144 /nfs/dbraw/zinc/82/01/44/555820144.db2.gz DDFVBZKOPIBWCX-UHFFFAOYSA-N 0 3 426.992 3.488 50 0 IGAAHN COCCN(C[C@@H]1CN(Cc2ccccc2OC)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740542 555883663 /nfs/dbraw/zinc/88/36/63/555883663.db2.gz YYCRONDSBPKGJX-JTHBVZDNSA-N 0 3 444.547 3.171 50 0 IGAAHN O=C1C[C@@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccc2c(c1)OCCO2 ZINC000008770441 556213236 /nfs/dbraw/zinc/21/32/36/556213236.db2.gz STXBJZSPEROKKR-GOSISDBHSA-N 0 3 425.872 3.057 50 0 IGAAHN CCCc1cc(C(=O)N(CCOC)CC2CCN(Cc3ccccc3OC)CC2)n(C)n1 ZINC000011703172 556347230 /nfs/dbraw/zinc/34/72/30/556347230.db2.gz RQZZNMIKOLOIMC-UHFFFAOYSA-N 0 3 442.604 3.382 50 0 IGAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccc(OC)nc4OC)C3)C2)c1 ZINC000012076845 556398042 /nfs/dbraw/zinc/39/80/42/556398042.db2.gz GJFAGBMIHPXPFZ-DEOSSOPVSA-N 0 3 425.529 3.236 50 0 IGAAHN Cc1cc(=O)c(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC000059995904 556416705 /nfs/dbraw/zinc/41/67/05/556416705.db2.gz ATIOQVYOHRCPKD-GJZGRUSLSA-N 0 3 436.478 3.410 50 0 IGAAHN C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCCCN(C)Cc1ccccc1 ZINC000032845469 556429457 /nfs/dbraw/zinc/42/94/57/556429457.db2.gz LRLWMGYHTWDLDY-MRXNPFEDSA-N 0 3 432.362 3.206 50 0 IGAAHN Cc1c(CN2CCC3(CC2)C(=O)N(C2Cc4ccccc4C2)C(=O)N3CC(C)C)cnn1C ZINC000014744358 556440448 /nfs/dbraw/zinc/44/04/48/556440448.db2.gz XHWSEBRTOYPCDS-UHFFFAOYSA-N 0 3 449.599 3.151 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n(CCc2cccc(Cl)c2)c1COC ZINC000014963403 556464877 /nfs/dbraw/zinc/46/48/77/556464877.db2.gz SNURHSCAWSCYFC-HXUWFJFHSA-N 0 3 445.991 3.413 50 0 IGAAHN CCn1c2ccccc2n(CCC(=O)Nc2ccc(N3CCN(CC)CC3)c(C)c2)c1=O ZINC000029405508 556474758 /nfs/dbraw/zinc/47/47/58/556474758.db2.gz IWRQUMFXYRUXPM-UHFFFAOYSA-N 0 3 435.572 3.302 50 0 IGAAHN Cn1c(SC[C@@H]2CCCO2)nnc1C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000015069930 556495016 /nfs/dbraw/zinc/49/50/16/556495016.db2.gz XGAOXAGXPYFUJL-SFHVURJKSA-N 0 3 430.574 3.237 50 0 IGAAHN COc1ccccc1CN(C)Cc1ccc(OC[C@@H](O)CN2CCSCC2)c(OC)c1 ZINC000015077066 556499550 /nfs/dbraw/zinc/49/95/50/556499550.db2.gz KRZFYQHSZYVJBB-NRFANRHFSA-N 0 3 446.613 3.124 50 0 IGAAHN COc1ccc2[nH]cc(CCNCC3=NO[C@H](Cc4cc5c(c(OC)c4)OCO5)C3)c2c1 ZINC000015085778 556502539 /nfs/dbraw/zinc/50/25/39/556502539.db2.gz KMYXWLPMTTVNRE-LJQANCHMSA-N 0 3 437.496 3.434 50 0 IGAAHN CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000032906899 556554673 /nfs/dbraw/zinc/55/46/73/556554673.db2.gz WTMUDAAUNQJGTQ-QGZVFWFLSA-N 0 3 430.346 3.180 50 0 IGAAHN Cc1ccc(C)c(NC(=O)[C@@H](NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1 ZINC000016046210 556580174 /nfs/dbraw/zinc/58/01/74/556580174.db2.gz CVHYYMDVLSOVBY-QHCPKHFHSA-N 0 3 437.565 3.463 50 0 IGAAHN COc1cccc(CNCCSc2nnnn2C)c1OCc1c(F)cccc1Cl ZINC000040721861 556647697 /nfs/dbraw/zinc/64/76/97/556647697.db2.gz YJLYBEQQIJRFLB-UHFFFAOYSA-N 0 3 437.928 3.472 50 0 IGAAHN CN(C(=O)CCCSc1ccc(NC(=O)c2cccs2)nn1)C1CCN(C)CC1 ZINC000011794001 556656343 /nfs/dbraw/zinc/65/63/43/556656343.db2.gz OIPCTHSSNQGRHV-UHFFFAOYSA-N 0 3 433.603 3.215 50 0 IGAAHN Cc1cc(C(=O)NC2CCN(C)CC2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067339106 556842581 /nfs/dbraw/zinc/84/25/81/556842581.db2.gz MNUIMYPACIDJBZ-UHFFFAOYSA-N 0 3 435.977 3.298 50 0 IGAAHN CN1CCC(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)CC1 ZINC000067601956 556843235 /nfs/dbraw/zinc/84/32/35/556843235.db2.gz COYANBJGRLDZEI-UHFFFAOYSA-N 0 3 435.977 3.130 50 0 IGAAHN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN(c2ccncc2)C1 ZINC000033128861 556865784 /nfs/dbraw/zinc/86/57/84/556865784.db2.gz UGASHKQEHBKGLL-HXUWFJFHSA-N 0 3 442.007 3.280 50 0 IGAAHN O=C(NCCN1CCCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000033131291 556871685 /nfs/dbraw/zinc/87/16/85/556871685.db2.gz BQQAAWLJOGEAEH-UHFFFAOYSA-N 0 3 427.998 3.120 50 0 IGAAHN O=C(NCCN1CCC(Cc2ccccc2)CC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000004711342 556889775 /nfs/dbraw/zinc/88/97/75/556889775.db2.gz ZEXDHNRLJMFCFU-VWLOTQADSA-N 0 3 433.596 3.149 50 0 IGAAHN C[C@H]1CCCCN1CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000033254690 556891134 /nfs/dbraw/zinc/89/11/34/556891134.db2.gz PGXGOLQXWCGIDO-KRWDZBQOSA-N 0 3 442.025 3.121 50 0 IGAAHN CCOC(=O)C1CCN(Cc2cc3ccc(F)cc3n(CCN3CCCCC3)c2=O)CC1 ZINC000020271019 557004815 /nfs/dbraw/zinc/00/48/15/557004815.db2.gz VIWKMAMZGGWNRZ-UHFFFAOYSA-N 0 3 443.563 3.402 50 0 IGAAHN Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2CCCN(C)CC2)nc1 ZINC000048252829 557052240 /nfs/dbraw/zinc/05/22/40/557052240.db2.gz UHSKBFIMIQSSFK-UHFFFAOYSA-N 0 3 425.558 3.107 50 0 IGAAHN CCCN1CCN(C[C@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000025480325 557211956 /nfs/dbraw/zinc/21/19/56/557211956.db2.gz HRHHUJZIIOFION-QFIPXVFZSA-N 0 3 428.573 3.198 50 0 IGAAHN CN1c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097097347 557212032 /nfs/dbraw/zinc/21/20/32/557212032.db2.gz UMNSVNVVRASHLC-XMMPIXPASA-N 0 3 432.568 3.483 50 0 IGAAHN CCN(CC)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 ZINC000014237154 557327437 /nfs/dbraw/zinc/32/74/37/557327437.db2.gz IYIYMPIRCCTWGK-QHCPKHFHSA-N 0 3 443.613 3.287 50 0 IGAAHN CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)N(CCN(C)C)C(=O)CO3)cc1OC ZINC000012082453 557527723 /nfs/dbraw/zinc/52/77/23/557527723.db2.gz WZGDZUFMVMVIGR-YRNVUSSQSA-N 0 3 439.512 3.033 50 0 IGAAHN CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1 ZINC000012982422 562983757 /nfs/dbraw/zinc/98/37/57/562983757.db2.gz UOCWGYYPUUKRJD-QHCPKHFHSA-N 0 3 437.565 3.198 50 0 IGAAHN COc1ccc(Nc2cc(C(=O)NCCCN3CCN(C)CC3)c3ccccc3n2)cc1 ZINC000020212215 563024045 /nfs/dbraw/zinc/02/40/45/563024045.db2.gz CBTGAQFHGQPACJ-UHFFFAOYSA-N 0 3 433.556 3.354 50 0 IGAAHN C[C@@H]1CN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CCN1 ZINC000253604625 568644006 /nfs/dbraw/zinc/64/40/06/568644006.db2.gz ZQXGJPREKWYQHY-GOSISDBHSA-N 0 3 435.547 3.197 50 0 IGAAHN C[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CCN1 ZINC000253602919 568644155 /nfs/dbraw/zinc/64/41/55/568644155.db2.gz GVWPKKPYEKPYCT-RBUKOAKNSA-N 0 3 435.547 3.197 50 0 IGAAHN Cc1ccc(Cn2nc(CNCCCSc3nnnn3C)c(-c3ccccc3)n2)cc1 ZINC000261492477 568734736 /nfs/dbraw/zinc/73/47/36/568734736.db2.gz CIILBSBCZDAUHK-UHFFFAOYSA-N 0 3 434.573 3.097 50 0 IGAAHN O[C@@H](COC[C@H]1CCCO1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000005938965 568738573 /nfs/dbraw/zinc/73/85/73/568738573.db2.gz AWGLHAUAFJZOQS-JWQCQUIFSA-N 0 3 425.569 3.191 50 0 IGAAHN CCS(=O)(=O)Nc1cccc(N2CCC(NCc3cccc(OC)c3OC)CC2)c1 ZINC000299767865 568756394 /nfs/dbraw/zinc/75/63/94/568756394.db2.gz WSBUCYPJVBUWKB-UHFFFAOYSA-N 0 3 433.574 3.224 50 0 IGAAHN CCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000084750357 568801016 /nfs/dbraw/zinc/80/10/16/568801016.db2.gz JXKHJAIEPFCSNA-PMACEKPBSA-N 0 3 437.606 3.112 50 0 IGAAHN CN1CCC(C(=O)Nc2ccc3[nH]ccc3c2)(N2C(=O)C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000575442987 568868286 /nfs/dbraw/zinc/86/82/86/568868286.db2.gz MPTSESKQVWQYNH-HXUWFJFHSA-N 0 3 446.507 3.273 50 0 IGAAHN COc1ccc(COCCCC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000089382534 568921475 /nfs/dbraw/zinc/92/14/75/568921475.db2.gz DIXIWZZCTZXQBY-VWLOTQADSA-N 0 3 439.600 3.487 50 0 IGAAHN Cc1ccc(-c2nc(-c3ccc(C(=O)NCCCN4CCN(C)CC4)s3)no2)cc1 ZINC000065062956 569097739 /nfs/dbraw/zinc/09/77/39/569097739.db2.gz JRHWUACZXNFZGT-UHFFFAOYSA-N 0 3 425.558 3.141 50 0 IGAAHN CCCN1CCN(c2nnc(-n3cccc3CNCc3ccc(OC)cc3)s2)CC1 ZINC000007002077 569117509 /nfs/dbraw/zinc/11/75/09/569117509.db2.gz PJYPNEAKBGDEBB-UHFFFAOYSA-N 0 3 426.590 3.159 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000065226974 569118057 /nfs/dbraw/zinc/11/80/57/569118057.db2.gz IXIJIGMVKSJNNR-HXUWFJFHSA-N 0 3 430.556 3.022 50 0 IGAAHN CN(CCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)Cc1ccccc1 ZINC000036717829 569136975 /nfs/dbraw/zinc/13/69/75/569136975.db2.gz MKMOOTKEMKOKBC-HSZRJFAPSA-N 0 3 431.536 3.485 50 0 IGAAHN COCCn1c(C)cc(O)c([C@H](c2ccc(OC)c(OC)c2)N2CCC(C)CC2)c1=O ZINC000016993330 569169884 /nfs/dbraw/zinc/16/98/84/569169884.db2.gz ABFKQKUHRNHQQX-QHCPKHFHSA-N 0 3 430.545 3.347 50 0 IGAAHN Cc1ccc(CNC(=O)N2CCC3(CC2)C[C@H](N2CCN(C(C)C)CC2)CCO3)cc1 ZINC000581820083 569211746 /nfs/dbraw/zinc/21/17/46/569211746.db2.gz QKHPVADGNBPURF-HSZRJFAPSA-N 0 3 428.621 3.244 50 0 IGAAHN COCCN(C[C@@H]1CN(Cc2cccc(OC)c2)C[C@H]1c1cccc(OC)c1)C(C)=O ZINC000253388877 569264347 /nfs/dbraw/zinc/26/43/47/569264347.db2.gz UUXWJLWDEHYVND-DHLKQENFSA-N 0 3 426.557 3.414 50 0 IGAAHN Cc1cc(=O)c(C(=O)NCC2(CN(C)C)CCCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000095940145 569375216 /nfs/dbraw/zinc/37/52/16/569375216.db2.gz ANBGRQBWQGCAEM-UHFFFAOYSA-N 0 3 436.478 3.412 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)CCCN1c2c(C)nn(-c3ccccc3)c2SCC1=O ZINC000015735121 569448097 /nfs/dbraw/zinc/44/80/97/569448097.db2.gz RTXVKTATCBYRNE-IBGZPJMESA-N 0 3 441.601 3.000 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)NCCc3cc(F)cc4c3OCOC4)cc2)CC1 ZINC000040120103 569489449 /nfs/dbraw/zinc/48/94/49/569489449.db2.gz RRFIXRXKYVCMBF-UHFFFAOYSA-N 0 3 428.508 3.198 50 0 IGAAHN O=C(NCCCN1CCc2ccccc2C1)c1ccc(NC(=O)C2=CSCCO2)cc1 ZINC000009738166 569564877 /nfs/dbraw/zinc/56/48/77/569564877.db2.gz MGWFNKNGWLAQIS-UHFFFAOYSA-N 0 3 437.565 3.408 50 0 IGAAHN COc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010333981 569581033 /nfs/dbraw/zinc/58/10/33/569581033.db2.gz YKZBGPUHKDYTKF-DEOSSOPVSA-N 0 3 431.536 3.418 50 0 IGAAHN CCN1C[C@H](CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1=O ZINC000012612259 521729741 /nfs/dbraw/zinc/72/97/41/521729741.db2.gz KKWVWDGAQVCNNS-QFIPXVFZSA-N 0 3 449.595 3.371 50 0 IGAAHN CN(C)Cc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)cc1 ZINC000012607414 521906196 /nfs/dbraw/zinc/90/61/96/521906196.db2.gz LGAKOXMFJFHVST-UHFFFAOYSA-N 0 3 440.569 3.159 50 0 IGAAHN COc1cc(Br)cc(CNCCCSc2nnnn2C)c1OC(C)C ZINC000040744637 522025720 /nfs/dbraw/zinc/02/57/20/522025720.db2.gz MSEDCAHQKHRUFJ-UHFFFAOYSA-N 0 3 430.372 3.040 50 0 IGAAHN COCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2)C(C)C ZINC000012202269 522778133 /nfs/dbraw/zinc/77/81/33/522778133.db2.gz KNAQVVTZRTZOGK-VWLOTQADSA-N 0 3 447.583 3.463 50 0 IGAAHN CN1CCN(CCCNC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)CC1 ZINC000022810558 523898995 /nfs/dbraw/zinc/89/89/95/523898995.db2.gz UDGRMHPNMWEYNI-UHFFFAOYSA-N 0 3 438.959 3.011 50 0 IGAAHN C[C@H]1Cc2cc(S(=O)(=O)NCCCN3CCC[C@H](C)C3)ccc2N1C(=O)C1CCC1 ZINC000021871144 524982703 /nfs/dbraw/zinc/98/27/03/524982703.db2.gz XQJYGLDILUBLJV-ROUUACIJSA-N 0 3 433.618 3.165 50 0 IGAAHN Cc1nn(CCCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2cc3occc3n21 ZINC000020866491 526279559 /nfs/dbraw/zinc/27/95/59/526279559.db2.gz XMOANTYYJAZSON-UHFFFAOYSA-N 0 3 447.539 3.112 50 0 IGAAHN O=C(c1ccc(N2CCC(NCc3cccc(F)c3F)CC2)cc1)N1CCC[C@H](O)C1 ZINC000012470599 526697634 /nfs/dbraw/zinc/69/76/34/526697634.db2.gz OBEJSHXSVZOQQD-NRFANRHFSA-N 0 3 429.511 3.320 50 0 IGAAHN O=C(NCc1nnc2n1CCC2)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012718504 526836364 /nfs/dbraw/zinc/83/63/64/526836364.db2.gz WROFFCQXZLBLGA-UHFFFAOYSA-N 0 3 445.567 3.240 50 0 IGAAHN CCOc1cc(CNCCO)cc(I)c1OCc1ccccc1 ZINC000002741019 555807354 /nfs/dbraw/zinc/80/73/54/555807354.db2.gz BWOLHSGOUROVGP-UHFFFAOYSA-N 0 3 427.282 3.351 50 0 IGAAHN CN1CCN(CCCNC(=O)c2cn3cc(-c4ccc(C(F)(F)F)cc4)ccc3n2)CC1 ZINC000034831151 555912273 /nfs/dbraw/zinc/91/22/73/555912273.db2.gz XBYOFDRFQHZCFY-UHFFFAOYSA-N 0 3 445.489 3.387 50 0 IGAAHN O=C(Cc1c(F)cc(F)cc1F)NC[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 ZINC000011790230 556355319 /nfs/dbraw/zinc/35/53/19/556355319.db2.gz BVJOFNXSCCJNEH-SFHVURJKSA-N 0 3 433.474 3.371 50 0 IGAAHN Cc1nn(C)c(C)c1CNC(=O)c1ccc(CN2CCC(c3ccccc3)CC2)[nH]c1=O ZINC000011982428 556383576 /nfs/dbraw/zinc/38/35/76/556383576.db2.gz ONQHCYYGQRHCCI-UHFFFAOYSA-N 0 3 433.556 3.035 50 0 IGAAHN COc1cc(OC)c(OC)cc1CN1CCC2(CC[C@H](CNC(=O)c3ccco3)O2)CC1 ZINC000011999540 556385381 /nfs/dbraw/zinc/38/53/81/556385381.db2.gz GWTCCEPQMFHFPS-GOSISDBHSA-N 0 3 444.528 3.249 50 0 IGAAHN COCCNC(=O)c1ccc(OC2CCN([C@@H](C)Cn3nc(C)cc3C)CC2)c(Cl)c1 ZINC000012051924 556392524 /nfs/dbraw/zinc/39/25/24/556392524.db2.gz QZGCTLFZWSPYJV-SFHVURJKSA-N 0 3 448.995 3.461 50 0 IGAAHN CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H](NCc1ccc3c(c1)OCO3)C2 ZINC000014749969 556443007 /nfs/dbraw/zinc/44/30/07/556443007.db2.gz QHAVAXLZYYJTDG-KRWDZBQOSA-N 0 3 436.512 3.144 50 0 IGAAHN Cc1cc(C)n(CCN2C(=O)c3cccc(N4CCN(C[C@@H]5CC=CCC5)CC4)c3C2=O)n1 ZINC000015007668 556482332 /nfs/dbraw/zinc/48/23/32/556482332.db2.gz IMTBQMOZJIGTQQ-OAQYLSRUSA-N 0 3 447.583 3.274 50 0 IGAAHN COc1ccc(/C=C/CN2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)cc1 ZINC000015070922 556495864 /nfs/dbraw/zinc/49/58/64/556495864.db2.gz SNSBCCQUNWYOFE-BDUNBXCCSA-N 0 3 435.528 3.251 50 0 IGAAHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNC[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000030666173 556501406 /nfs/dbraw/zinc/50/14/06/556501406.db2.gz CIEOTPQTBMHXQR-NFBKMPQASA-N 0 3 432.996 3.029 50 0 IGAAHN CCc1c(C(=O)NCc2ccccc2CN2CCC(O)CC2)cnn1-c1ccc(F)cc1 ZINC000072306650 556558010 /nfs/dbraw/zinc/55/80/10/556558010.db2.gz HFTZRDOIDMWERN-UHFFFAOYSA-N 0 3 436.531 3.461 50 0 IGAAHN Cc1cc(N2CCC(C(=O)NCCN(C)C)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000033274942 556559442 /nfs/dbraw/zinc/55/94/42/556559442.db2.gz BTFRIBXAAOCBKI-UHFFFAOYSA-N 0 3 440.979 3.252 50 0 IGAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000016259283 556594888 /nfs/dbraw/zinc/59/48/88/556594888.db2.gz NGDMDTQGJGNVRW-HXUWFJFHSA-N 0 3 447.626 3.102 50 0 IGAAHN Cc1nc2ccccc2n(CCC(=O)NCC2CCN(Cc3ccccc3F)CC2)c1=O ZINC000033005364 556655112 /nfs/dbraw/zinc/65/51/12/556655112.db2.gz DNWAVZZJGXKDBU-UHFFFAOYSA-N 0 3 436.531 3.263 50 0 IGAAHN Cc1cccc(CN2CCC(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)c1 ZINC000032936022 556678449 /nfs/dbraw/zinc/67/84/49/556678449.db2.gz ZURKLIWVEOVJQW-GOSISDBHSA-N 0 3 441.597 3.100 50 0 IGAAHN CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)NCCN(C)C ZINC000046006243 556690453 /nfs/dbraw/zinc/69/04/53/556690453.db2.gz KDZYUMOCQWDWGY-UHFFFAOYSA-N 0 3 427.524 3.186 50 0 IGAAHN CCOc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccccc1)CCN(CC)C2 ZINC000062007141 556765486 /nfs/dbraw/zinc/76/54/86/556765486.db2.gz OPSPMXNDKVIZDU-UHFFFAOYSA-N 0 3 432.524 3.326 50 0 IGAAHN COc1ccc(CCNC(=O)[C@H](C)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 ZINC000060036548 556806029 /nfs/dbraw/zinc/80/60/29/556806029.db2.gz HVDSWFPCTHODPI-FQEVSTJZSA-N 0 3 436.600 3.387 50 0 IGAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019817555 556920146 /nfs/dbraw/zinc/92/01/46/556920146.db2.gz RBEPVNZTLUIZDN-AUUYWEPGSA-N 0 3 426.423 3.410 50 0 IGAAHN CCOC(=O)c1ccc(NC(=O)CC2C(=O)Nc3c(-c4ccccc4)c(COC)nn32)cc1 ZINC000072405364 556972135 /nfs/dbraw/zinc/97/21/35/556972135.db2.gz MDLLNGMPAARRLB-LJQANCHMSA-N 0 3 448.479 3.395 50 0 IGAAHN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)c2c(nc1-c1ccccc1)CCN(C)C2 ZINC000049400655 557096355 /nfs/dbraw/zinc/09/63/55/557096355.db2.gz QLLKAGCZVFDJEW-UHFFFAOYSA-N 0 3 438.915 3.199 50 0 IGAAHN CC(C)[C@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)N1CCc2ccccc2C1 ZINC000025918540 557230320 /nfs/dbraw/zinc/23/03/20/557230320.db2.gz QYGRKIKEBYZCOC-DEOSSOPVSA-N 0 3 435.568 3.391 50 0 IGAAHN CN1CCN(Cc2ccc(CNC(=O)/C=C/c3cc(Cl)c4c(c3)OCCO4)cc2)CC1 ZINC000032932410 557318441 /nfs/dbraw/zinc/31/84/41/557318441.db2.gz KOVORFIPAGYBHS-VOTSOKGWSA-N 0 3 441.959 3.188 50 0 IGAAHN CCN(CC)S(=O)(=O)c1ccc2nc(N3CCN(C4CCCCC4)CC3)cnc2c1 ZINC000033301634 557331334 /nfs/dbraw/zinc/33/13/34/557331334.db2.gz VMVZMCGLAVBARG-UHFFFAOYSA-N 0 3 431.606 3.115 50 0 IGAAHN O=C(Nc1ccccc1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575317201 557462781 /nfs/dbraw/zinc/46/27/81/557462781.db2.gz WGMVBHIIPFFYOF-JOCHJYFZSA-N 0 3 435.572 3.449 50 0 IGAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)c4ccc5ccccc5n4)CC3)C2)CC1 ZINC000575316565 557462803 /nfs/dbraw/zinc/46/28/03/557462803.db2.gz AIEPSNQNKFODOW-QFIPXVFZSA-N 0 3 436.600 3.415 50 0 IGAAHN CCCN1CCN(CCCNC(=O)c2cc3c(s2)c2ccccc2n(CC)c3=O)CC1 ZINC000020286344 563024387 /nfs/dbraw/zinc/02/43/87/563024387.db2.gz BQJBVELWGBZEOM-UHFFFAOYSA-N 0 3 440.613 3.384 50 0 IGAAHN CCN1CCN(CCCNC(=O)[C@@H]2CCCN(c3nc4c(cc(C)cc4C)s3)C2)CC1 ZINC000020383877 563024652 /nfs/dbraw/zinc/02/46/52/563024652.db2.gz ODZGGFVEAUYXIB-HXUWFJFHSA-N 0 3 443.661 3.273 50 0 IGAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1cn2c(n1)SCC2 ZINC000299774242 568756858 /nfs/dbraw/zinc/75/68/58/568756858.db2.gz FIXLWWRQOMHRIU-HNNXBMFYSA-N 0 3 434.949 3.042 50 0 IGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1cnc3ccccc3c1)CC2 ZINC000299784215 568757179 /nfs/dbraw/zinc/75/71/79/568757179.db2.gz WWZAYDRWKSSUOT-LJQANCHMSA-N 0 3 429.524 3.481 50 0 IGAAHN Cc1nc(CN(C)Cc2ccc(OCCN(C)C(=O)C3CCN(C)CC3)cc2)cs1 ZINC000299790972 568757703 /nfs/dbraw/zinc/75/77/03/568757703.db2.gz CGYFDQXJVRWNCA-UHFFFAOYSA-N 0 3 430.618 3.263 50 0 IGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)c(OC)c1 ZINC000239432896 568911506 /nfs/dbraw/zinc/91/15/06/568911506.db2.gz WVDKNKYAZHNKRD-XPWALMASSA-N 0 3 446.459 3.461 50 0 IGAAHN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H](C)O)CC2CC2)c1 ZINC000036309317 568995857 /nfs/dbraw/zinc/99/58/57/568995857.db2.gz IYKFUFJACGNUFC-JTSKRJEESA-N 0 3 444.597 3.354 50 0 IGAAHN O=C(NCCN1CCCCCC1)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000065023596 569089373 /nfs/dbraw/zinc/08/93/73/569089373.db2.gz KWOXWHVKAVSGOJ-FQEVSTJZSA-N 0 3 425.552 3.491 50 0 IGAAHN C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000036394354 569098894 /nfs/dbraw/zinc/09/88/94/569098894.db2.gz LLIRIZDBEXDFMU-OXQOHEQNSA-N 0 3 444.373 3.348 50 0 IGAAHN Cn1c(CNC(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)nc2ccccc21 ZINC000065256017 569123138 /nfs/dbraw/zinc/12/31/38/569123138.db2.gz IOPUUFGLFFMLBG-NRFANRHFSA-N 0 3 426.524 3.049 50 0 IGAAHN COc1ccnc(N2CCN(C(=O)[C@@H]3CN(Cc4ccccc4)C[C@@H]3C(F)(F)F)CC2)c1 ZINC000170614617 569146387 /nfs/dbraw/zinc/14/63/87/569146387.db2.gz AJNNWLJFALCNSV-UXHICEINSA-N 0 3 448.489 3.049 50 0 IGAAHN CC(C)C[C@@H](CN(C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000078702847 569318263 /nfs/dbraw/zinc/31/82/63/569318263.db2.gz PDZQTMFSTRKONL-QFIPXVFZSA-N 0 3 449.661 3.059 50 0 IGAAHN O=C(NCCN1CCCCCC1)c1csc(N2CCN(c3ccccc3F)CC2)n1 ZINC000096386413 569398574 /nfs/dbraw/zinc/39/85/74/569398574.db2.gz MQJMPCGPQMHFLX-UHFFFAOYSA-N 0 3 431.581 3.215 50 0 IGAAHN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3n[nH]nc3-c3ccc(F)cc3)CC2)c1 ZINC000225585239 569404942 /nfs/dbraw/zinc/40/49/42/569404942.db2.gz ZEKWAADSQVSLCS-UHFFFAOYSA-N 0 3 436.535 3.170 50 0 IGAAHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000058014375 569444944 /nfs/dbraw/zinc/44/49/44/569444944.db2.gz VDFXIPHTDKRJMN-UHFFFAOYSA-N 0 3 444.337 3.021 50 0 IGAAHN O=C(CC1CCN(Cc2ccccc2)CC1)NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2 ZINC000670447580 569454299 /nfs/dbraw/zinc/45/42/99/569454299.db2.gz BGFJKYHOMKTXFQ-QHSWPGFUSA-N 0 3 434.588 3.140 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)CCCn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965358 569491462 /nfs/dbraw/zinc/49/14/62/569491462.db2.gz BDEPHDSYFLRRLD-NRFANRHFSA-N 0 3 435.572 3.185 50 0 IGAAHN Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)NCCN2CCCC2)c2ccccc2n1C ZINC000009096583 569501442 /nfs/dbraw/zinc/50/14/42/569501442.db2.gz VBUCKBCVJHIMGL-RUZDIDTESA-N 0 3 430.552 3.244 50 0 IGAAHN CCCn1c2ccccc2c2cnn(CC(=O)N(CCN(C)C)Cc3ccccc3)c(=O)c21 ZINC000009153426 569508053 /nfs/dbraw/zinc/50/80/53/569508053.db2.gz GWQQGIYSIOLKBW-UHFFFAOYSA-N 0 3 445.567 3.352 50 0 IGAAHN NS(=O)(=O)c1ccc(CNC(=O)CNC2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000069966945 569525867 /nfs/dbraw/zinc/52/58/67/569525867.db2.gz RLZLVCWVCVUITI-UHFFFAOYSA-N 0 3 435.977 3.053 50 0 IGAAHN O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000009412641 569531576 /nfs/dbraw/zinc/53/15/76/569531576.db2.gz BSVNYVXPOWHMOM-UHFFFAOYSA-N 0 3 447.988 3.307 50 0 IGAAHN O=C(NCc1ccccc1CN1CCCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009579777 569548578 /nfs/dbraw/zinc/54/85/78/569548578.db2.gz NSEAJHGMFOSBGQ-UHFFFAOYSA-N 0 3 441.597 3.387 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)c(C)c2)CC1 ZINC000009223542 132309644 /nfs/dbraw/zinc/30/96/44/132309644.db2.gz CMQRYJZZXWQQNN-QFIPXVFZSA-N 0 3 434.584 3.167 50 0 IGAAHN CC(C)CS(=O)(=O)c1ncc(CN(C)CCCN2CCCC2)n1Cc1ccccc1 ZINC000012305023 519767581 /nfs/dbraw/zinc/76/75/81/519767581.db2.gz JDWSWHUOKOJVOR-UHFFFAOYSA-N 0 3 432.634 3.279 50 0 IGAAHN CCN(CC)[C@@H](CNC(=O)CCn1cnc2sccc2c1=O)c1cccc(OC)c1 ZINC000012741597 520831538 /nfs/dbraw/zinc/83/15/38/520831538.db2.gz GIMYSGFZQDCDAF-IBGZPJMESA-N 0 3 428.558 3.056 50 0 IGAAHN CC1CCC2(CC1)OC[C@H](C(=O)NCCN(C)C)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035981527 520966726 /nfs/dbraw/zinc/96/67/26/520966726.db2.gz AZJKQTLQRCUVBV-BPVAQJAMSA-N 0 3 441.494 3.131 50 0 IGAAHN CCN1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000020737319 521684194 /nfs/dbraw/zinc/68/41/94/521684194.db2.gz QSSNJGSMXSIXKJ-JWGURIENSA-N 0 3 436.581 3.139 50 0 IGAAHN CCN1C[C@@H](CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1=O ZINC000012612250 521727578 /nfs/dbraw/zinc/72/75/78/521727578.db2.gz KKWVWDGAQVCNNS-JOCHJYFZSA-N 0 3 449.595 3.371 50 0 IGAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(C(C)C)cc2)CC3)cc1 ZINC000020783845 523704715 /nfs/dbraw/zinc/70/47/15/523704715.db2.gz UNEGDNKOAICFCG-UHFFFAOYSA-N 0 3 447.583 3.441 50 0 IGAAHN CN1CCCN(c2ccc(CNC(=O)Cc3csc(-c4cccs4)n3)cn2)CC1 ZINC000069534319 523811836 /nfs/dbraw/zinc/81/18/36/523811836.db2.gz HNFWUJQYJFHZMY-UHFFFAOYSA-N 0 3 427.599 3.267 50 0 IGAAHN CN1CCCN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)CCCC4)cn2)CC1 ZINC000058184255 523813405 /nfs/dbraw/zinc/81/34/05/523813405.db2.gz WFHDTMCAGWWAFP-UHFFFAOYSA-N 0 3 434.584 3.382 50 0 IGAAHN COc1ccc(CNCc2ccccc2Cl)cc1OC[C@@H](O)CN1CCCN(C)CC1 ZINC000020782532 524073592 /nfs/dbraw/zinc/07/35/92/524073592.db2.gz HCWWFYHNUJPPNG-NRFANRHFSA-N 0 3 448.007 3.016 50 0 IGAAHN Cc1ccc(C)c(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1 ZINC000020999023 524102881 /nfs/dbraw/zinc/10/28/81/524102881.db2.gz JGKJTVDNHIBIOP-HSZRJFAPSA-N 0 3 432.572 3.475 50 0 IGAAHN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NCCN(C)C)CC(C)C)no2)c(C)c1 ZINC000036015869 524209692 /nfs/dbraw/zinc/20/96/92/524209692.db2.gz SRMZRJKUKZWAAD-UHFFFAOYSA-N 0 3 428.577 3.433 50 0 IGAAHN Cc1ccc(CN2CC[C@H](CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)cc1 ZINC000021888149 524471872 /nfs/dbraw/zinc/47/18/72/524471872.db2.gz GYPNCEYIVUCFIR-LJQANCHMSA-N 0 3 427.570 3.070 50 0 IGAAHN Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)s1 ZINC000020450835 524476712 /nfs/dbraw/zinc/47/67/12/524476712.db2.gz LESRLQHBCTUQIP-CQSZACIVSA-N 0 3 431.512 3.476 50 0 IGAAHN COc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000012112142 524662486 /nfs/dbraw/zinc/66/24/86/524662486.db2.gz PQWLPAAZSBRIKI-OAQYLSRUSA-N 0 3 434.540 3.288 50 0 IGAAHN C[C@H]1Cc2cc(S(=O)(=O)NCCCN3CCC[C@@H](C)C3)ccc2N1C(=O)C1CCC1 ZINC000021871139 524982360 /nfs/dbraw/zinc/98/23/60/524982360.db2.gz XQJYGLDILUBLJV-MSOLQXFVSA-N 0 3 433.618 3.165 50 0 IGAAHN Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNCCSc2nnnn2C)cc1 ZINC000040744844 525068947 /nfs/dbraw/zinc/06/89/47/525068947.db2.gz ICSQSGOIXCEOQH-UHFFFAOYSA-N 0 3 446.964 3.071 50 0 IGAAHN O=C(CC[C@H]1CCCN(Cc2cccc3nccnc23)C1)N1CCN(c2ccccn2)CC1 ZINC000012387254 526569532 /nfs/dbraw/zinc/56/95/32/526569532.db2.gz TUWBFEHIEOXSRD-OAQYLSRUSA-N 0 3 444.583 3.366 50 0 IGAAHN NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 ZINC000012754044 526964109 /nfs/dbraw/zinc/96/41/09/526964109.db2.gz KTDSTSAGQOOCJM-JOCHJYFZSA-N 0 3 435.568 3.110 50 0 IGAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000021793652 526964588 /nfs/dbraw/zinc/96/45/88/526964588.db2.gz XAKFHKAXSLYYCC-UHFFFAOYSA-N 0 3 430.350 3.110 50 0 IGAAHN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC1CCN(Cc2ccccc2)CC1 ZINC000012854908 526971966 /nfs/dbraw/zinc/97/19/66/526971966.db2.gz SYWCLRUWSWPPID-UHFFFAOYSA-N 0 3 432.520 3.441 50 0 IGAAHN O=C1c2cccc(N3CCN(CCCc4ccccc4)CC3)c2C(=O)N1C[C@H]1CCCO1 ZINC000012727973 527126292 /nfs/dbraw/zinc/12/62/92/527126292.db2.gz RAYUZAMPKHNJLD-OAQYLSRUSA-N 0 3 433.552 3.216 50 0 IGAAHN Cc1ncsc1C(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000012429773 527476259 /nfs/dbraw/zinc/47/62/59/527476259.db2.gz OBFQXERKYSGGGD-NRFANRHFSA-N 0 3 440.613 3.475 50 0 IGAAHN O=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000000860338 555571995 /nfs/dbraw/zinc/57/19/95/555571995.db2.gz WSRYGRQHDAVZTL-UHFFFAOYSA-N 0 3 434.005 3.311 50 0 IGAAHN CC1CCC2(CC1)OC[C@H](C(=O)NCCN1CCCCC1)N2C(=O)c1ccccc1F ZINC000034920945 555931490 /nfs/dbraw/zinc/93/14/90/555931490.db2.gz SUDZIURSWCECGF-RUPGZQMFSA-N 0 3 431.552 3.175 50 0 IGAAHN COc1cccc(-c2cc(C(=O)N(CCC(=O)N3CCCN(C)CC3)CC(C)C)no2)c1 ZINC000034922662 555932884 /nfs/dbraw/zinc/93/28/84/555932884.db2.gz ZRLSJLLAXFACLW-UHFFFAOYSA-N 0 3 442.560 3.003 50 0 IGAAHN CCNC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000004241280 555978775 /nfs/dbraw/zinc/97/87/75/555978775.db2.gz GRMBICBPGQHHTR-UHFFFAOYSA-N 0 3 429.586 3.286 50 0 IGAAHN CC1CCN([C@H](CNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2cccs2)CC1 ZINC000032736352 556306303 /nfs/dbraw/zinc/30/63/03/556306303.db2.gz RMVWVHKOUNDURC-LJQANCHMSA-N 0 3 440.569 3.003 50 0 IGAAHN CC1CCN([C@H](CNC(=O)CN2c3ccccc3OCCC2=O)c2cccs2)CC1 ZINC000032748013 556316882 /nfs/dbraw/zinc/31/68/82/556316882.db2.gz IWCSGRZBYLHBIU-LJQANCHMSA-N 0 3 427.570 3.453 50 0 IGAAHN CN(C(=O)CC[C@@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1)C1CCN(C)CC1 ZINC000011662703 556343947 /nfs/dbraw/zinc/34/39/47/556343947.db2.gz WFURYAAQCULXPC-FQEVSTJZSA-N 0 3 427.589 3.221 50 0 IGAAHN CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000032795679 556357815 /nfs/dbraw/zinc/35/78/15/556357815.db2.gz LJZRARKBVAAVBW-QGZVFWFLSA-N 0 3 430.346 3.180 50 0 IGAAHN CCc1c(C(=O)NCCc2ccccc2OC)c(=O)cc(C)n1CCN1CCCCC1 ZINC000012053256 556393187 /nfs/dbraw/zinc/39/31/87/556393187.db2.gz NGCKUCLELORDTA-UHFFFAOYSA-N 0 3 425.573 3.186 50 0 IGAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)cc1OC ZINC000012058014 556394925 /nfs/dbraw/zinc/39/49/25/556394925.db2.gz PZGWAWRHXVSAEO-FQEVSTJZSA-N 0 3 429.561 3.407 50 0 IGAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000012075110 556397281 /nfs/dbraw/zinc/39/72/81/556397281.db2.gz LYRXNTZKDOGKED-IBGZPJMESA-N 0 3 437.584 3.289 50 0 IGAAHN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000014244983 556404729 /nfs/dbraw/zinc/40/47/29/556404729.db2.gz KMISERPOZOEVGZ-FQEVSTJZSA-N 0 3 437.993 3.021 50 0 IGAAHN COc1cccc(CN(C)[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 ZINC000014733622 556437739 /nfs/dbraw/zinc/43/77/39/556437739.db2.gz GCVXVDKLNVCERJ-HXUWFJFHSA-N 0 3 440.588 3.009 50 0 IGAAHN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014741775 556439001 /nfs/dbraw/zinc/43/90/01/556439001.db2.gz FZPNSEIUUFIQBQ-UHFFFAOYSA-N 0 3 437.540 3.141 50 0 IGAAHN Cc1ccccc1-c1ccc(CN2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)cc1 ZINC000014990253 556474423 /nfs/dbraw/zinc/47/44/23/556474423.db2.gz PBHAXCZVSVIQAW-JOCHJYFZSA-N 0 3 433.556 3.203 50 0 IGAAHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000072289639 556484164 /nfs/dbraw/zinc/48/41/64/556484164.db2.gz DXXNKAWNHOKMNN-QFIPXVFZSA-N 0 3 436.604 3.218 50 0 IGAAHN COCc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)o1 ZINC000015066087 556492779 /nfs/dbraw/zinc/49/27/79/556492779.db2.gz PBHFVFDKZZEEFC-IBGZPJMESA-N 0 3 431.552 3.481 50 0 IGAAHN Cc1c(C(=O)N2CC[C@H](N(C)C)C2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000015072918 556497333 /nfs/dbraw/zinc/49/73/33/556497333.db2.gz GEDSETPNVXUJFE-HNNXBMFYSA-N 0 3 439.541 3.117 50 0 IGAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2c(F)ccc(F)c2F)CC1 ZINC000015079176 556500302 /nfs/dbraw/zinc/50/03/02/556500302.db2.gz OQSZXAGZPHZMSR-QGZVFWFLSA-N 0 3 428.495 3.012 50 0 IGAAHN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000030947474 556517435 /nfs/dbraw/zinc/51/74/35/556517435.db2.gz GVGNZUGAUWFHCX-UHFFFAOYSA-N 0 3 427.570 3.126 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1 ZINC000013624127 556536448 /nfs/dbraw/zinc/53/64/48/556536448.db2.gz CXJMMZGCVRCONN-SFHVURJKSA-N 0 3 436.508 3.448 50 0 IGAAHN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCCN3CCCC[C@@H]3C)s2)cc1 ZINC000032987817 556608190 /nfs/dbraw/zinc/60/81/90/556608190.db2.gz UTLSFYWCKNTMKO-INIZCTEOSA-N 0 3 445.589 3.112 50 0 IGAAHN COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC ZINC000039404961 556628807 /nfs/dbraw/zinc/62/88/07/556628807.db2.gz LNKMJBYMYOIGDV-JOCHJYFZSA-N 0 3 428.573 3.214 50 0 IGAAHN CC(C(=O)N[C@H]1CCOc2ccccc21)S(=O)(=O)Cc1coc(-c2cccs2)n1 ZINC000057996367 556751907 /nfs/dbraw/zinc/75/19/07/556751907.db2.gz LAJATPOFAVGFOF-BBRMVZONSA-N 0 3 432.523 3.346 50 0 IGAAHN CC(C(=O)N[C@H]1CCOc2ccccc21)S(=O)(=O)Cc1coc(-c2cccs2)n1 ZINC000057996373 556751878 /nfs/dbraw/zinc/75/18/78/556751878.db2.gz LAJATPOFAVGFOF-CJNGLKHVSA-N 0 3 432.523 3.346 50 0 IGAAHN CC(C)C(=O)Nc1nc(CC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cs1 ZINC000058226957 556773754 /nfs/dbraw/zinc/77/37/54/556773754.db2.gz XHENDGAAICEBGY-UHFFFAOYSA-N 0 3 430.574 3.123 50 0 IGAAHN CN(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003316391 556809908 /nfs/dbraw/zinc/80/99/08/556809908.db2.gz NXBJCNKFXBTPOZ-UHFFFAOYSA-N 0 3 449.882 3.451 50 0 IGAAHN Cc1ccc([C@@H]2Cn3nnc(C(=O)NC4CCN(Cc5ccccc5)CC4)c3CO2)cc1 ZINC000097943993 556814916 /nfs/dbraw/zinc/81/49/16/556814916.db2.gz LHBCNBQLEKFPMC-QHCPKHFHSA-N 0 3 431.540 3.252 50 0 IGAAHN O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)NCCCN1CCc2ccccc2C1 ZINC000033061722 556817336 /nfs/dbraw/zinc/81/73/36/556817336.db2.gz LMBBMJHNYLDVLR-UHFFFAOYSA-N 0 3 449.580 3.288 50 0 IGAAHN CC(C)c1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1 ZINC000019837914 556928735 /nfs/dbraw/zinc/92/87/35/556928735.db2.gz IHTGTMUAANJWKQ-UHFFFAOYSA-N 0 3 432.572 3.104 50 0 IGAAHN CCN1CCN(Cc2ccc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)cc2)CC1 ZINC000020356885 557011058 /nfs/dbraw/zinc/01/10/58/557011058.db2.gz GMQMHFYHWUMICB-UHFFFAOYSA-N 0 3 431.540 3.219 50 0 IGAAHN CCN1CCN(Cc2ccc(CNC(=O)CCCc3nc(C(C)(C)C)no3)cc2)CC1 ZINC000048353556 557072947 /nfs/dbraw/zinc/07/29/47/557072947.db2.gz FBJNCCJYUHBQNR-UHFFFAOYSA-N 0 3 427.593 3.144 50 0 IGAAHN CCc1ccc(CN2CCC([C@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)o1 ZINC000014888645 557077416 /nfs/dbraw/zinc/07/74/16/557077416.db2.gz YDNYLXDSLQHEIH-DEOSSOPVSA-N 0 3 425.529 3.226 50 0 IGAAHN COc1cc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc(OC)c1OC ZINC000024628879 557156353 /nfs/dbraw/zinc/15/63/53/557156353.db2.gz XPZQZBILBFLWMA-UHFFFAOYSA-N 0 3 425.573 3.499 50 0 IGAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCN3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000096054711 557166913 /nfs/dbraw/zinc/16/69/13/557166913.db2.gz DFDPHQXJPPEZEL-XMMPIXPASA-N 0 3 435.568 3.262 50 0 IGAAHN O=C(Nc1ccccc1)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575317202 557462733 /nfs/dbraw/zinc/46/27/33/557462733.db2.gz WGMVBHIIPFFYOF-QFIPXVFZSA-N 0 3 435.572 3.449 50 0 IGAAHN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H](C)O)CC2CC2)c1 ZINC000105002669 557470201 /nfs/dbraw/zinc/47/02/01/557470201.db2.gz IYKFUFJACGNUFC-HTAPYJJXSA-N 0 3 444.597 3.354 50 0 IGAAHN Cc1cc(NC(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)ccc1S(C)(=O)=O ZINC000685939937 557838729 /nfs/dbraw/zinc/83/87/29/557838729.db2.gz RPIHIUBUEMRAJU-UXHICEINSA-N 0 3 427.570 3.384 50 0 IGAAHN Clc1cccc(Cn2nc(CNCCCN3CCOCC3)c(-c3ccccc3)n2)c1 ZINC000261491665 568734410 /nfs/dbraw/zinc/73/44/10/568734410.db2.gz BRXFOTQOEYGMGU-UHFFFAOYSA-N 0 3 425.964 3.459 50 0 IGAAHN CSc1ccccc1CN1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000043942551 568743640 /nfs/dbraw/zinc/74/36/40/568743640.db2.gz OKTFYAHDGSESAZ-UHFFFAOYSA-N 0 3 429.561 3.192 50 0 IGAAHN CSc1ccc(O[C@@H](C)C(=O)N(C)C[C@H](O)CN2CCc3ccccc3CC2)cc1 ZINC000089368815 568921291 /nfs/dbraw/zinc/92/12/91/568921291.db2.gz YYRQHXPDGQQXED-RXVVDRJESA-N 0 3 428.598 3.096 50 0 IGAAHN Cc1cccc(Oc2cnn(C)c(=O)c2Nc2cccc(C(=O)NCCN(C)C)c2)c1C ZINC000036073271 568945712 /nfs/dbraw/zinc/94/57/12/568945712.db2.gz MFMXPIYANRIHHX-UHFFFAOYSA-N 0 3 435.528 3.224 50 0 IGAAHN O=C(NCCN1CCCCCC1)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000065023267 569089233 /nfs/dbraw/zinc/08/92/33/569089233.db2.gz DFXHDRGNKOYGHH-HXUWFJFHSA-N 0 3 425.552 3.491 50 0 IGAAHN COc1ccc(OC)c(CNC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)c1 ZINC000065256259 569123210 /nfs/dbraw/zinc/12/32/10/569123210.db2.gz IMJRFTSNVFQTPJ-QFIPXVFZSA-N 0 3 432.524 3.180 50 0 IGAAHN O=C(CN1CCCCC[C@H]1C[C@@H](O)c1ccccc1)NCCCN1CCCCCC1=O ZINC000079051948 569323447 /nfs/dbraw/zinc/32/34/47/569323447.db2.gz JYNYVMSFWXVRPG-XZOQPEGZSA-N 0 3 429.605 3.264 50 0 IGAAHN CN1CCN(CCc2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)c2)CC1 ZINC000095457788 569369041 /nfs/dbraw/zinc/36/90/41/569369041.db2.gz CIVAFOZAKMPUCI-HXUWFJFHSA-N 0 3 440.613 3.029 50 0 IGAAHN CCCN1C(=O)N(CCC)C(=O)C2(Cc3c(Cl)cccc3N3CCN(CC)C[C@@H]32)C1=O ZINC000057128602 569429733 /nfs/dbraw/zinc/42/97/33/569429733.db2.gz KYWISIMLFZVJQW-LJQANCHMSA-N 0 3 446.979 3.004 50 0 IGAAHN COc1cc(CS(=O)(=O)C(C)C(=O)N[C@@H](C)c2ccccc2)ccc1OC(F)F ZINC000040106102 569488328 /nfs/dbraw/zinc/48/83/28/569488328.db2.gz OWLFYDHJLSLZRP-KBPBESRZSA-N 0 3 427.469 3.477 50 0 IGAAHN COc1cc(CS(=O)(=O)C(C)C(=O)N(C)Cc2ccccc2)ccc1OC(F)F ZINC000040106109 569488336 /nfs/dbraw/zinc/48/83/36/569488336.db2.gz PKALTLDDLLDSAF-CQSZACIVSA-N 0 3 427.469 3.259 50 0 IGAAHN C[C@@H]1Cc2cc(S(=O)(=O)NCCCN3CCC[C@H](C)C3)ccc2N1C(=O)C1CCC1 ZINC000245343716 569504543 /nfs/dbraw/zinc/50/45/43/569504543.db2.gz XQJYGLDILUBLJV-ZWKOTPCHSA-N 0 3 433.618 3.165 50 0 IGAAHN Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 ZINC000069656243 569511661 /nfs/dbraw/zinc/51/16/61/569511661.db2.gz YQHOXILAKAZPQR-KDURUIRLSA-N 0 3 445.567 3.383 50 0 IGAAHN Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 ZINC000069740232 569515750 /nfs/dbraw/zinc/51/57/50/569515750.db2.gz PTWZTQZYPILZQP-NRFANRHFSA-N 0 3 431.540 3.043 50 0 IGAAHN CN(C)CCn1c(=O)nc(SCC(=O)Nc2nc3ccccc3s2)c2c1CCCC2 ZINC000009747359 569565815 /nfs/dbraw/zinc/56/58/15/569565815.db2.gz QDXAFNJCZBUHMI-UHFFFAOYSA-N 0 3 443.598 3.024 50 0 IGAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccco3)[C@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000006142143 132276200 /nfs/dbraw/zinc/27/62/00/132276200.db2.gz MRJZHFXLXKCAMK-DNVJHFABSA-N 0 3 445.475 3.167 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c(C)c2)CC1 ZINC000009223541 132309648 /nfs/dbraw/zinc/30/96/48/132309648.db2.gz CMQRYJZZXWQQNN-JOCHJYFZSA-N 0 3 434.584 3.167 50 0 IGAAHN CCCN1CCN(CCCNC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)CC1 ZINC000020559365 519858240 /nfs/dbraw/zinc/85/82/40/519858240.db2.gz FGDVVRZADKXFNE-UHFFFAOYSA-N 0 3 434.588 3.119 50 0 IGAAHN CCCOc1c(Br)cc(CNCCN2CCOCC2)cc1Br ZINC000020967560 520290183 /nfs/dbraw/zinc/29/01/83/520290183.db2.gz UJDFLDDLKQWMKR-UHFFFAOYSA-N 0 3 436.188 3.422 50 0 IGAAHN CCCOc1c(Br)cc(Br)cc1CNCCN1CCOCC1 ZINC000020967900 520290701 /nfs/dbraw/zinc/29/07/01/520290701.db2.gz MZHHZCXFOBMXOQ-UHFFFAOYSA-N 0 3 436.188 3.422 50 0 IGAAHN CCOC(=O)C1C(CNCCc2ccc(OC)cc2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000012412513 520520016 /nfs/dbraw/zinc/52/00/16/520520016.db2.gz FPXVTPBQHIQXSO-QHCPKHFHSA-N 0 3 437.540 3.315 50 0 IGAAHN CCOC(=O)C1=C(CNCCc2ccc(OC)cc2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000012412513 520520022 /nfs/dbraw/zinc/52/00/22/520520022.db2.gz FPXVTPBQHIQXSO-QHCPKHFHSA-N 0 3 437.540 3.315 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)CN3CCN(C/C=C/c4ccccc4)CC3)cc2)CC1 ZINC000022790734 521698217 /nfs/dbraw/zinc/69/82/17/521698217.db2.gz VWNDEEWNFLCSPL-RMKNXTFCSA-N 0 3 447.627 3.098 50 0 IGAAHN CN(C)CCNC(=O)c1ccc(CSc2nc(N3CCCC3)cc(C(F)(F)F)n2)o1 ZINC000036038741 521784791 /nfs/dbraw/zinc/78/47/91/521784791.db2.gz VOWHBEAZMFAZRB-UHFFFAOYSA-N 0 3 443.495 3.272 50 0 IGAAHN COC(=O)c1ccc(-c2noc(CN3CCCN(C4Cc5ccccc5C4)CC3)n2)cc1 ZINC000020907924 521931499 /nfs/dbraw/zinc/93/14/99/521931499.db2.gz UNDZKVISIQVURM-UHFFFAOYSA-N 0 3 432.524 3.198 50 0 IGAAHN CC[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000035373762 522528822 /nfs/dbraw/zinc/52/88/22/522528822.db2.gz HCPFSKOEALNSGL-QHCPKHFHSA-N 0 3 445.567 3.460 50 0 IGAAHN C[C@@H]1CCCCN1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035422024 524106980 /nfs/dbraw/zinc/10/69/80/524106980.db2.gz RRJZGEADWYVAHD-OAQYLSRUSA-N 0 3 442.648 3.123 50 0 IGAAHN COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(CC(C)C)nc(=O)[n-]2)C1 ZINC000012438031 524409164 /nfs/dbraw/zinc/40/91/64/524409164.db2.gz LKORBJRFSMAYOP-LJQANCHMSA-N 0 3 440.588 3.004 50 0 IGAAHN COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cc(CC(C)C)nc(=O)[n-]2)C1 ZINC000012438031 524409169 /nfs/dbraw/zinc/40/91/69/524409169.db2.gz LKORBJRFSMAYOP-LJQANCHMSA-N 0 3 440.588 3.004 50 0 IGAAHN COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1OC ZINC000033318634 524550457 /nfs/dbraw/zinc/55/04/57/524550457.db2.gz WVKMMMKNAPOGKJ-UHFFFAOYSA-N 0 3 440.548 3.147 50 0 IGAAHN Cc1c(C(=O)NC[C@@H]2CCCN(C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012128484 525620297 /nfs/dbraw/zinc/62/02/97/525620297.db2.gz GUYFNQZVMXHVBU-SFHVURJKSA-N 0 3 430.556 3.198 50 0 IGAAHN Cc1ccc([C@H](C)CCN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1 ZINC000012205639 525875334 /nfs/dbraw/zinc/87/53/34/525875334.db2.gz ZIFXFCCCLGKBPA-QGZVFWFLSA-N 0 3 439.535 3.229 50 0 IGAAHN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CCN(C2CCCCC2)CC1 ZINC000021882412 526655039 /nfs/dbraw/zinc/65/50/39/526655039.db2.gz KVHLQLVSYMQFFL-UHFFFAOYSA-N 0 3 428.602 3.273 50 0 IGAAHN O=C(CCn1nc(-c2cccc(Cl)c2)ccc1=O)N1CCN(C2CCCCC2)CC1 ZINC000041251969 526690080 /nfs/dbraw/zinc/69/00/80/526690080.db2.gz IKBRFUYQQRIJNX-UHFFFAOYSA-N 0 3 428.964 3.431 50 0 IGAAHN O=C(NC1CCN(C2CC2)CC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000012823113 527525817 /nfs/dbraw/zinc/52/58/17/527525817.db2.gz RMTCQVZCPVTYGI-UHFFFAOYSA-N 0 3 433.961 3.497 50 0 IGAAHN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3n2)cc1 ZINC000000815400 555561771 /nfs/dbraw/zinc/56/17/71/555561771.db2.gz OTTXTXCDQWKBEW-OAHLLOKOSA-N 0 3 427.455 3.263 50 0 IGAAHN COc1ccccc1/C=C/CN1CCC2(CC[C@@H](CNC(=O)C3CCOCC3)O2)CC1 ZINC000011840073 556364806 /nfs/dbraw/zinc/36/48/06/556364806.db2.gz IUERSMPPWVUPGE-LHXJMTLCSA-N 0 3 428.573 3.265 50 0 IGAAHN COc1cccc(CCNc2ncnc3sc(C(=O)N(C)CCN(C)C)c(C)c32)c1 ZINC000011966690 556382121 /nfs/dbraw/zinc/38/21/21/556382121.db2.gz KKPRNBHYIJKULK-UHFFFAOYSA-N 0 3 427.574 3.297 50 0 IGAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000012075114 556397253 /nfs/dbraw/zinc/39/72/53/556397253.db2.gz LYRXNTZKDOGKED-LJQANCHMSA-N 0 3 437.584 3.289 50 0 IGAAHN CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000014541071 556425559 /nfs/dbraw/zinc/42/55/59/556425559.db2.gz ILNMUMBLDDRUAD-UHFFFAOYSA-N 0 3 431.540 3.424 50 0 IGAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccccc1Cl)C2 ZINC000014751916 556443664 /nfs/dbraw/zinc/44/36/64/556443664.db2.gz JSUHMQPRPKDAHE-SFHVURJKSA-N 0 3 430.980 3.312 50 0 IGAAHN CCN1CCN(CCCNC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)CC1 ZINC000022936535 556445789 /nfs/dbraw/zinc/44/57/89/556445789.db2.gz IYCVVEWDRLLUDC-UHFFFAOYSA-N 0 3 434.588 3.037 50 0 IGAAHN Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000028928143 556464072 /nfs/dbraw/zinc/46/40/72/556464072.db2.gz DAZRNQIOKXFNAL-UHFFFAOYSA-N 0 3 430.552 3.459 50 0 IGAAHN Cn1c2ccc([C@H](O)COc3ccc(CNCc4ccc(F)cc4)cc3)cc2n(C)c1=O ZINC000016363931 556603422 /nfs/dbraw/zinc/60/34/22/556603422.db2.gz UOELTDKUEDAVTL-XMMPIXPASA-N 0 3 435.499 3.418 50 0 IGAAHN CN(CCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1)Cc1ccccc1 ZINC000033060344 556816790 /nfs/dbraw/zinc/81/67/90/556816790.db2.gz FMECKEGOYIHPHW-UHFFFAOYSA-N 0 3 429.933 3.306 50 0 IGAAHN COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)c(C)cc1C)CC2 ZINC000019838179 556928709 /nfs/dbraw/zinc/92/87/09/556928709.db2.gz OFCPAABHZAMDOG-OAQYLSRUSA-N 0 3 427.593 3.111 50 0 IGAAHN O=C([C@H]1CCCN(c2nnc3ccc(Cl)cn32)C1)N1CCN(C2CCCCC2)CC1 ZINC000097087076 556983113 /nfs/dbraw/zinc/98/31/13/556983113.db2.gz YQVHDLUEEHXICT-KRWDZBQOSA-N 0 3 430.984 3.076 50 0 IGAAHN COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCN(Cc2ccccc2)CC1 ZINC000020263084 557004123 /nfs/dbraw/zinc/00/41/23/557004123.db2.gz FMGNENURFWVUCY-UHFFFAOYSA-N 0 3 438.503 3.240 50 0 IGAAHN CCCCN1CCN(c2ccc(-c3csc(S(=O)(=O)N4CCCCC4)c3)nn2)CC1 ZINC000033299403 557078042 /nfs/dbraw/zinc/07/80/42/557078042.db2.gz NBRBVUABKOPPGK-UHFFFAOYSA-N 0 3 449.646 3.302 50 0 IGAAHN O=C(NCCN1CCCC1)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1 ZINC000049006513 557085028 /nfs/dbraw/zinc/08/50/28/557085028.db2.gz FGBOIZNCIXDZQI-UHFFFAOYSA-N 0 3 446.555 3.227 50 0 IGAAHN COc1ccc(C)cc1NC(=O)CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382270 557089685 /nfs/dbraw/zinc/08/96/85/557089685.db2.gz OUUWFYOGVSUKFK-UZLBHIALSA-N 0 3 434.496 3.449 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000023977672 557128848 /nfs/dbraw/zinc/12/88/48/557128848.db2.gz SBMCBBHATIAEOF-HXUWFJFHSA-N 0 3 425.960 3.469 50 0 IGAAHN Cc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000072288415 557149089 /nfs/dbraw/zinc/14/90/89/557149089.db2.gz SIQMZJWRRPQQTL-OAQYLSRUSA-N 0 3 433.618 3.034 50 0 IGAAHN CC(C)[C@@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)N1CCc2ccccc2C1 ZINC000025918534 557230348 /nfs/dbraw/zinc/23/03/48/557230348.db2.gz QYGRKIKEBYZCOC-XMMPIXPASA-N 0 3 435.568 3.391 50 0 IGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000102724149 557369602 /nfs/dbraw/zinc/36/96/02/557369602.db2.gz UVOPOOFLTDESHU-RJGXRXQPSA-N 0 3 446.459 3.461 50 0 IGAAHN Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 ZINC000108348788 557542490 /nfs/dbraw/zinc/54/24/90/557542490.db2.gz YQHOXILAKAZPQR-OALUTQOASA-N 0 3 445.567 3.383 50 0 IGAAHN CN1CCN(CCCNC(=O)Nc2nnc(-c3ccccn3)s2)[C@@H](c2ccccc2)C1 ZINC000106103808 568624844 /nfs/dbraw/zinc/62/48/44/568624844.db2.gz UPOSREFLCRQERC-LJQANCHMSA-N 0 3 437.573 3.100 50 0 IGAAHN C[C@H]1CN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CCN1 ZINC000253604626 568644136 /nfs/dbraw/zinc/64/41/36/568644136.db2.gz ZQXGJPREKWYQHY-SFHVURJKSA-N 0 3 435.547 3.197 50 0 IGAAHN O[C@H](COC[C@@H]1CCCO1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000005938962 568738652 /nfs/dbraw/zinc/73/86/52/568738652.db2.gz AWGLHAUAFJZOQS-DQEYMECFSA-N 0 3 425.569 3.191 50 0 IGAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O ZINC000065172612 569113336 /nfs/dbraw/zinc/11/33/36/569113336.db2.gz XTXYZAHOUPMUAA-GOSISDBHSA-N 0 3 437.588 3.429 50 0 IGAAHN COc1ccc(OC)c(CNC(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)c1 ZINC000065256260 569123203 /nfs/dbraw/zinc/12/32/03/569123203.db2.gz IMJRFTSNVFQTPJ-JOCHJYFZSA-N 0 3 432.524 3.180 50 0 IGAAHN Cn1c(CNC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)nc2ccccc21 ZINC000065256345 569123356 /nfs/dbraw/zinc/12/33/56/569123356.db2.gz KMCMUUQBMPXRQP-NRFANRHFSA-N 0 3 426.524 3.049 50 0 IGAAHN CC(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1 ZINC000037288627 569146139 /nfs/dbraw/zinc/14/61/39/569146139.db2.gz LIWNAMALFGJNBK-UHFFFAOYSA-N 0 3 426.605 3.272 50 0 IGAAHN COc1ccc(C)cc1N1C[C@H](C(=O)N(C)CC2CCN(c3ccncc3)CC2)CC1=O ZINC000089616888 569159986 /nfs/dbraw/zinc/15/99/86/569159986.db2.gz LIVHZOVWSRPTJV-HXUWFJFHSA-N 0 3 436.556 3.127 50 0 IGAAHN COc1ccc(-n2nc3nc(N4CCNCC4)nc(-c4cccc(Cl)c4)c3c2N)cc1 ZINC000037358429 569176158 /nfs/dbraw/zinc/17/61/58/569176158.db2.gz YYXPWLNJXYFEGJ-UHFFFAOYSA-N 0 3 435.919 3.136 50 0 IGAAHN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CCN(C)C)C(=O)C2CCC2)cc1 ZINC000037400404 569194960 /nfs/dbraw/zinc/19/49/60/569194960.db2.gz DMLAXTIVFKPQTN-UHFFFAOYSA-N 0 3 446.569 3.153 50 0 IGAAHN COc1ccc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(CC(C)C)CC2)CCO3)cc1F ZINC000581819685 569211446 /nfs/dbraw/zinc/21/14/46/569211446.db2.gz BQGBEDOEEUBYJR-OAQYLSRUSA-N 0 3 447.595 3.262 50 0 IGAAHN Cc1ccc(CNC(=O)N2CCC3(CC2)C[C@@H](N2CCN(CC(C)C)CC2)CCO3)cc1 ZINC000581819792 569211538 /nfs/dbraw/zinc/21/15/38/569211538.db2.gz LHJCCAYGNVZDNH-DEOSSOPVSA-N 0 3 442.648 3.492 50 0 IGAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)C4(c5ccccc5)CC4)CC3)C2)CC1 ZINC000581819768 569211601 /nfs/dbraw/zinc/21/16/01/569211601.db2.gz JVVVTJFMBJAQGP-HSZRJFAPSA-N 0 3 425.617 3.284 50 0 IGAAHN CC(C)C[C@H](CN(C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000078702853 569318286 /nfs/dbraw/zinc/31/82/86/569318286.db2.gz PDZQTMFSTRKONL-JOCHJYFZSA-N 0 3 449.661 3.059 50 0 IGAAHN O=C(CN1CCCCC[C@H]1C[C@H](O)c1ccccc1)NCCCN1CCCCCC1=O ZINC000079051956 569323421 /nfs/dbraw/zinc/32/34/21/569323421.db2.gz JYNYVMSFWXVRPG-GOTSBHOMSA-N 0 3 429.605 3.264 50 0 IGAAHN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC000079105473 569325749 /nfs/dbraw/zinc/32/57/49/569325749.db2.gz VBNQLSDSIJMTSU-DEOSSOPVSA-N 0 3 446.592 3.390 50 0 IGAAHN CCCN(CCC)CCNC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C ZINC000020241853 569358153 /nfs/dbraw/zinc/35/81/53/569358153.db2.gz COPBGFSQZMLRPE-UHFFFAOYSA-N 0 3 435.590 3.111 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)N2CCCC2)cc1 ZINC000008313982 569462588 /nfs/dbraw/zinc/46/25/88/569462588.db2.gz CGVKYHIQYLCILQ-CTNGQTDRSA-N 0 3 425.554 3.451 50 0 IGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009402810 569529452 /nfs/dbraw/zinc/52/94/52/569529452.db2.gz NYZMSUPACKYIHW-FPOVZHCZSA-N 0 3 444.626 3.250 50 0 IGAAHN CN(C)CCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000009636914 569554736 /nfs/dbraw/zinc/55/47/36/569554736.db2.gz KSWAMTRGYDPFCM-UHFFFAOYSA-N 0 3 437.565 3.374 50 0 IGAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)Nc2cccc(OC)c2)c2c1CCCC2 ZINC000009746974 569565773 /nfs/dbraw/zinc/56/57/73/569565773.db2.gz JLCCMOAEQIGHMH-UHFFFAOYSA-N 0 3 444.601 3.203 50 0 IGAAHN O=C(CNC(=O)c1ccc(OC(F)F)cc1)NCc1ccccc1CN1CCCCC1 ZINC000010282681 569580475 /nfs/dbraw/zinc/58/04/75/569580475.db2.gz UXFCMPCGEAMDLD-UHFFFAOYSA-N 0 3 431.483 3.320 50 0 IGAAHN O=C(NC[C@@H](c1cccc2ccccc21)N1CCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000010333957 569581062 /nfs/dbraw/zinc/58/10/62/569581062.db2.gz FJGFXVKRDGCRSD-NRFANRHFSA-N 0 3 431.492 3.460 50 0 IGAAHN CC(=O)C1[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377589 518211673 /nfs/dbraw/zinc/21/16/73/518211673.db2.gz FFOUXBGFXPURFH-LMNJBCLMSA-N 0 3 444.413 3.349 50 0 IGAAHN CCOc1ccc(-c2nc(CSCC(=O)NCCCN3CCN(C)CC3)c(C)o2)cc1 ZINC000020737130 520816631 /nfs/dbraw/zinc/81/66/31/520816631.db2.gz HLGQKWMRGSHHIG-UHFFFAOYSA-N 0 3 446.617 3.036 50 0 IGAAHN CCN(CC)[C@H]1CCN(C(=O)c2cn(CC3CCCCC3)cc(C(=O)NC(C)C)c2=O)C1 ZINC000012149225 520872777 /nfs/dbraw/zinc/87/27/77/520872777.db2.gz GEXOSBIBNYHKHM-FQEVSTJZSA-N 0 3 444.620 3.123 50 0 IGAAHN CCCc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)n(C)n1 ZINC000012713079 521349958 /nfs/dbraw/zinc/34/99/58/521349958.db2.gz NBEVOWPYFDXGSA-HXUWFJFHSA-N 0 3 443.611 3.428 50 0 IGAAHN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2ccc(OCCO)cc2)C1 ZINC000014960914 521355460 /nfs/dbraw/zinc/35/54/60/521355460.db2.gz SEIVAADTHDKHQC-VWLOTQADSA-N 0 3 427.541 3.454 50 0 IGAAHN CCN1CCN([C@@H]2CCc3c(sc4ncn(Cc5ccc(F)cc5)c(=O)c34)C2)CC1 ZINC000022910009 521693983 /nfs/dbraw/zinc/69/39/83/521693983.db2.gz OOWTUBHYTOWPPH-GOSISDBHSA-N 0 3 426.561 3.140 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)cc2C)CC1 ZINC000012757601 521699217 /nfs/dbraw/zinc/69/92/17/521699217.db2.gz KJJQNNJBLLITRG-QFIPXVFZSA-N 0 3 434.584 3.167 50 0 IGAAHN COc1cc(C)c(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1C ZINC000020780675 522194761 /nfs/dbraw/zinc/19/47/61/522194761.db2.gz JLBGTSYRYMYHEH-UHFFFAOYSA-N 0 3 437.519 3.031 50 0 IGAAHN COc1cc(CN2C(=O)CC[C@@H]3CN(Cc4ccncc4)CC[C@@H]32)cc(OC)c1OC ZINC000012134799 522367063 /nfs/dbraw/zinc/36/70/63/522367063.db2.gz ZMZWWDMJLDHQMW-UXHICEINSA-N 0 3 425.529 3.121 50 0 IGAAHN CN(CCO)C(=O)c1cn(C2CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)nn1 ZINC000012129579 522880500 /nfs/dbraw/zinc/88/05/00/522880500.db2.gz MALQUMGTEKTHJU-UHFFFAOYSA-N 0 3 443.935 3.093 50 0 IGAAHN COc1ccc(-c2nn(-c3ccccc3F)cc2CNCCSc2nnnn2C)cc1 ZINC000012299176 523243016 /nfs/dbraw/zinc/24/30/16/523243016.db2.gz XSULKTXTSRVLOH-UHFFFAOYSA-N 0 3 439.520 3.092 50 0 IGAAHN COCCNC(=O)[C@@H]1C[C@H](NCc2ccccc2C(F)(F)F)CN1Cc1ccccc1 ZINC000020998034 523915060 /nfs/dbraw/zinc/91/50/60/523915060.db2.gz QNKPOMZWXJXIBT-FPOVZHCZSA-N 0 3 435.490 3.201 50 0 IGAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H](C)Cc2ccc(C)cn2)CC1 ZINC000012307580 523926039 /nfs/dbraw/zinc/92/60/39/523926039.db2.gz OTHVXEXIAAMAPV-IBGZPJMESA-N 0 3 441.572 3.249 50 0 IGAAHN COc1ccc(CN2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)cc1Cn1cncn1 ZINC000012449384 524027804 /nfs/dbraw/zinc/02/78/04/524027804.db2.gz BMCIPXTWFYIZMK-OAQYLSRUSA-N 0 3 435.528 3.183 50 0 IGAAHN CN1c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2N2CCCC[C@H]2C1=O ZINC000021938519 524031638 /nfs/dbraw/zinc/03/16/38/524031638.db2.gz PWMNTRSFYCTWJE-QHCPKHFHSA-N 0 3 432.568 3.416 50 0 IGAAHN COc1cccc([C@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)N2CCCC2)c1 ZINC000012738951 524159693 /nfs/dbraw/zinc/15/96/93/524159693.db2.gz OUEDPRPNVMBXIS-QFIPXVFZSA-N 0 3 435.524 3.025 50 0 IGAAHN Cc1ccc(CN2CCC(CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)cc1 ZINC000021888091 524436787 /nfs/dbraw/zinc/43/67/87/524436787.db2.gz MHCDTKLLOYSYSB-UHFFFAOYSA-N 0 3 441.597 3.460 50 0 IGAAHN C[C@H](NCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1cccc2ccccc21 ZINC000012770188 525306600 /nfs/dbraw/zinc/30/66/00/525306600.db2.gz OQHPSRZVKNNESK-HFJWLAOPSA-N 0 3 444.535 3.465 50 0 IGAAHN C[C@@H](NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1cccc2ccccc21 ZINC000012770179 525411753 /nfs/dbraw/zinc/41/17/53/525411753.db2.gz OQHPSRZVKNNESK-DWXRJYCRSA-N 0 3 444.535 3.465 50 0 IGAAHN Cc1ccnc(N2CCC(C(=O)NCC3CCN(Cc4cccc(F)c4)CC3)CC2)n1 ZINC000035454493 525663932 /nfs/dbraw/zinc/66/39/32/525663932.db2.gz IFQXGVUFTYSSKJ-UHFFFAOYSA-N 0 3 425.552 3.169 50 0 IGAAHN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](C(C)C)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016010331 526221421 /nfs/dbraw/zinc/22/14/21/526221421.db2.gz JYDJTIILAZQOPN-GBWYYYKWSA-N 0 3 435.499 3.019 50 0 IGAAHN COc1ccccc1N1CCN(Cc2ccc(C(=O)NCCN3CCCCC3)cc2)CC1 ZINC000034682385 555816380 /nfs/dbraw/zinc/81/63/80/555816380.db2.gz FYFNVFNITNJEQH-UHFFFAOYSA-N 0 3 436.600 3.233 50 0 IGAAHN Cc1cc([C@H]2CC[C@@H](C(=O)NCCN(C)C)CN2C(=O)NCc2ccccc2)ccc1F ZINC000034716054 555865447 /nfs/dbraw/zinc/86/54/47/555865447.db2.gz AVYHGRKFDBLTID-FYYLOGMGSA-N 0 3 440.563 3.475 50 0 IGAAHN CC1CCC2(CC1)OC[C@H](C(=O)NCCN1CCCCC1)N2C(=O)c1ccc(F)cc1 ZINC000034920282 555931242 /nfs/dbraw/zinc/93/12/42/555931242.db2.gz MEIRRWASEHTRQP-RUPGZQMFSA-N 0 3 431.552 3.175 50 0 IGAAHN c1ccc(CN2CCOCCOCCN(Cc3ccccc3)CCOCCOCC2)cc1 ZINC000006566565 556094904 /nfs/dbraw/zinc/09/49/04/556094904.db2.gz WAHZGOBRKWVALN-UHFFFAOYSA-N 0 3 442.600 3.071 50 0 IGAAHN COc1cc(CNCCSc2nnnn2C)ccc1OCc1c(F)cccc1Cl ZINC000008590889 556188944 /nfs/dbraw/zinc/18/89/44/556188944.db2.gz NSUWHKALDMQFHS-UHFFFAOYSA-N 0 3 437.928 3.472 50 0 IGAAHN COc1cc(OC)cc(C(=O)NC[C@H]2CCC3(CCN(Cc4ccccn4)CC3)O2)c1 ZINC000011787307 556354124 /nfs/dbraw/zinc/35/41/24/556354124.db2.gz WVQCSCQPQMFYBG-HXUWFJFHSA-N 0 3 425.529 3.042 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)c1cc2nc(-c3ccccc3)n(C)c2c(NC(=O)COC)c1 ZINC000011880213 556372111 /nfs/dbraw/zinc/37/21/11/556372111.db2.gz PDFZTIRLFWVDPJ-LJQANCHMSA-N 0 3 449.555 3.039 50 0 IGAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(CC[C@H](C)c2ccccc2)CC3)cc1 ZINC000014952234 556461179 /nfs/dbraw/zinc/46/11/79/556461179.db2.gz JOUUTJAPTLROPK-FQEVSTJZSA-N 0 3 447.583 3.311 50 0 IGAAHN CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1ccc(C(C)=O)s1 ZINC000015061939 556490554 /nfs/dbraw/zinc/49/05/54/556490554.db2.gz ZMZGRCWMEUVEKV-HXUWFJFHSA-N 0 3 435.634 3.236 50 0 IGAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(OCC)c(OCC)c3)C2=O)cc1 ZINC000004573412 556535674 /nfs/dbraw/zinc/53/56/74/556535674.db2.gz PJYUCXHFDNXEMP-HXUWFJFHSA-N 0 3 426.513 3.347 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1 ZINC000013624125 556536518 /nfs/dbraw/zinc/53/65/18/556536518.db2.gz CXJMMZGCVRCONN-GOSISDBHSA-N 0 3 436.508 3.448 50 0 IGAAHN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](C(C)C)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016010333 556573947 /nfs/dbraw/zinc/57/39/47/556573947.db2.gz JYDJTIILAZQOPN-AJGMTHFWSA-N 0 3 435.499 3.019 50 0 IGAAHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3)N(C)C)CC2)c(C)c1 ZINC000016599211 556616794 /nfs/dbraw/zinc/61/67/94/556616794.db2.gz LIVOGJLJRWCVHF-JOCHJYFZSA-N 0 3 443.613 3.123 50 0 IGAAHN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016750776 556637303 /nfs/dbraw/zinc/63/73/03/556637303.db2.gz WSZBRUGBGLBDEK-OAQYLSRUSA-N 0 3 434.492 3.385 50 0 IGAAHN Cc1nnc(C(=O)Nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)s1 ZINC000033011008 556659191 /nfs/dbraw/zinc/65/91/91/556659191.db2.gz QZDBTQBDTOMDMS-UHFFFAOYSA-N 0 3 435.553 3.493 50 0 IGAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 ZINC000019112749 556700045 /nfs/dbraw/zinc/70/00/45/556700045.db2.gz XZXZUOVUJRGTIN-UHFFFAOYSA-N 0 3 447.938 3.454 50 0 IGAAHN COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(C(C)C)cc2)CC3)o1 ZINC000019229052 556717828 /nfs/dbraw/zinc/71/78/28/556717828.db2.gz WMFXJMDAHIMTHY-UHFFFAOYSA-N 0 3 437.544 3.129 50 0 IGAAHN CC(C(=O)N[C@@H]1CCOc2ccccc21)S(=O)(=O)Cc1coc(-c2cccs2)n1 ZINC000057996363 556751839 /nfs/dbraw/zinc/75/18/39/556751839.db2.gz LAJATPOFAVGFOF-CZUORRHYSA-N 0 3 432.523 3.346 50 0 IGAAHN CN(C)CCN(Cc1cccnc1)C(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F ZINC000058145110 556761398 /nfs/dbraw/zinc/76/13/98/556761398.db2.gz XOUXJUCVUFUJOW-UHFFFAOYSA-N 0 3 433.438 3.277 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)c(C)c2)CC1 ZINC000058156169 556762514 /nfs/dbraw/zinc/76/25/14/556762514.db2.gz SIPZYXHAFYXCOE-LJQANCHMSA-N 0 3 436.556 3.137 50 0 IGAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cnc2sccn2c1=O ZINC000058170275 556767759 /nfs/dbraw/zinc/76/77/59/556767759.db2.gz KMJQHUQRQIJSMN-UHFFFAOYSA-N 0 3 445.548 3.331 50 0 IGAAHN C[C@@H]1CCCCN1CCNC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033062172 556817805 /nfs/dbraw/zinc/81/78/05/556817805.db2.gz JKPYUJKQNDWLBE-CQSZACIVSA-N 0 3 435.981 3.367 50 0 IGAAHN O=C(c1nc2ccccn2c1CN1CCN([C@H]2CCc3ccccc3C2)CC1)N1CCCC1 ZINC000019595135 556830663 /nfs/dbraw/zinc/83/06/63/556830663.db2.gz RJDBSPUPBVHURU-QHCPKHFHSA-N 0 3 443.595 3.245 50 0 IGAAHN C[C@@H]1CCCCN1CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000033254689 556891111 /nfs/dbraw/zinc/89/11/11/556891111.db2.gz PGXGOLQXWCGIDO-QGZVFWFLSA-N 0 3 442.025 3.121 50 0 IGAAHN COc1ccc(CN2CCN(C3CCN(c4ccccc4)CC3)C[C@@H]2CCO)c(F)c1 ZINC000019840296 556929410 /nfs/dbraw/zinc/92/94/10/556929410.db2.gz IVCAATFGESQDBW-QHCPKHFHSA-N 0 3 427.564 3.372 50 0 IGAAHN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000048312342 557066896 /nfs/dbraw/zinc/06/68/96/557066896.db2.gz ARVIXCXXBMVDRL-MRXNPFEDSA-N 0 3 427.854 3.301 50 0 IGAAHN O=C1c2ccccc2C(=O)N1CCCN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000048375402 557076402 /nfs/dbraw/zinc/07/64/02/557076402.db2.gz OCNGHOQULFYHNF-UHFFFAOYSA-N 0 3 432.446 3.299 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000023977669 557128972 /nfs/dbraw/zinc/12/89/72/557128972.db2.gz SBMCBBHATIAEOF-FQEVSTJZSA-N 0 3 425.960 3.469 50 0 IGAAHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000102708820 557367530 /nfs/dbraw/zinc/36/75/30/557367530.db2.gz HGEYGPHKXWJQND-FDFHNCONSA-N 0 3 444.443 3.230 50 0 IGAAHN COc1cc(CNCCCOc2ccccn2)ccc1Oc1nnnn1-c1ccccc1 ZINC000113396395 557373260 /nfs/dbraw/zinc/37/32/60/557373260.db2.gz DOFCVBIMQIVGRV-UHFFFAOYSA-N 0 3 432.484 3.417 50 0 IGAAHN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H](CN(C)C)c3ccccc3)cc2)C1 ZINC000105126943 557476128 /nfs/dbraw/zinc/47/61/28/557476128.db2.gz GZQCLGVCFDRLAR-PGRDOPGGSA-N 0 3 429.586 3.140 50 0 IGAAHN O=C1C=C(NCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000025183391 557529076 /nfs/dbraw/zinc/52/90/76/557529076.db2.gz XSBZMRBQWLYAKL-UHFFFAOYSA-N 0 3 442.922 3.038 50 0 IGAAHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C(C)C)cc1 ZINC000024981322 557819477 /nfs/dbraw/zinc/81/94/77/557819477.db2.gz KHXHWWKMZVPYFR-HSZRJFAPSA-N 0 3 443.613 3.079 50 0 IGAAHN O=C(C(=O)N(C[C@H]1CCCO1)CC1CCN(C2Cc3ccccc3C2)CC1)c1ccco1 ZINC000012429540 557838757 /nfs/dbraw/zinc/83/87/57/557838757.db2.gz PSXINAGKSNTSOR-HSZRJFAPSA-N 0 3 436.552 3.349 50 0 IGAAHN CC(=O)N1c2ccc(S(=O)(=O)N3C[C@H]4CCCN4Cc4ccccc43)cc2C[C@H]1C ZINC000241124268 557846032 /nfs/dbraw/zinc/84/60/32/557846032.db2.gz JGVCXIXACNVMLQ-OXQOHEQNSA-N 0 3 425.554 3.157 50 0 IGAAHN COC(=O)c1ccc(CN2CC[C@H]3[C@H](CCCN3C(=O)c3cn4ccsc4n3)C2)cc1 ZINC000299803142 568758150 /nfs/dbraw/zinc/75/81/50/568758150.db2.gz YCXWBORLEDCSNC-QUCCMNQESA-N 0 3 438.553 3.309 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000032106074 568781243 /nfs/dbraw/zinc/78/12/43/568781243.db2.gz XUPPVXHPISOFNE-HXUWFJFHSA-N 0 3 425.960 3.469 50 0 IGAAHN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000064164314 568893379 /nfs/dbraw/zinc/89/33/79/568893379.db2.gz QMRDWBOJBXXNFN-KHOMTPLRSA-N 0 3 433.508 3.442 50 0 IGAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O ZINC000065172570 569113243 /nfs/dbraw/zinc/11/32/43/569113243.db2.gz ASZVEJGCYOVWFQ-IBGZPJMESA-N 0 3 445.567 3.297 50 0 IGAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O ZINC000065172569 569113294 /nfs/dbraw/zinc/11/32/94/569113294.db2.gz ASZVEJGCYOVWFQ-LJQANCHMSA-N 0 3 445.567 3.297 50 0 IGAAHN O=C(NCCN1CCCCC1)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065228038 569117640 /nfs/dbraw/zinc/11/76/40/569117640.db2.gz DENCYUZTECPEPL-IBGZPJMESA-N 0 3 438.576 3.218 50 0 IGAAHN COc1ccc(CNC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)cc1OC ZINC000065255952 569122976 /nfs/dbraw/zinc/12/29/76/569122976.db2.gz NAQBWXNGFQXKRL-OAQYLSRUSA-N 0 3 432.524 3.180 50 0 IGAAHN COc1ccc(CNC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)c(OC)c1 ZINC000065255932 569122984 /nfs/dbraw/zinc/12/29/84/569122984.db2.gz LFXKLSCUNOWEBE-JOCHJYFZSA-N 0 3 432.524 3.180 50 0 IGAAHN O=C(c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065256154 569123269 /nfs/dbraw/zinc/12/32/69/569123269.db2.gz WFQSGOQRVGNJOB-DEOSSOPVSA-N 0 3 445.542 3.334 50 0 IGAAHN CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 ZINC000252515791 569189215 /nfs/dbraw/zinc/18/92/15/569189215.db2.gz NONATOUIECKAPG-WOJBJXKFSA-N 0 3 433.474 3.315 50 0 IGAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)Cc4cccc(F)c4)CC3)C2)CC1 ZINC000581819694 569211419 /nfs/dbraw/zinc/21/14/19/569211419.db2.gz CGYMMWMFYAOCFW-HSZRJFAPSA-N 0 3 431.596 3.182 50 0 IGAAHN CCN1CCN(C[C@@H](C)CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000078808633 569319118 /nfs/dbraw/zinc/31/91/18/569319118.db2.gz JVSNHOKNPMXANY-KRWDZBQOSA-N 0 3 433.984 3.103 50 0 IGAAHN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2cccc(Cl)c2)cc1 ZINC000095481685 569374032 /nfs/dbraw/zinc/37/40/32/569374032.db2.gz COBVBDGUQXMECY-UHFFFAOYSA-N 0 3 435.977 3.054 50 0 IGAAHN COc1cc(CN2CCC(c3nc(C)ccc3C(=O)NC[C@H]3CCCO3)CC2)ccc1O ZINC000096281660 569390048 /nfs/dbraw/zinc/39/00/48/569390048.db2.gz JOOGEVFJGAWRRG-HXUWFJFHSA-N 0 3 439.556 3.393 50 0 IGAAHN CC(C)(C)NC(=O)CN1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000028889910 569423239 /nfs/dbraw/zinc/42/32/39/569423239.db2.gz DEXXLCIIVKMWOM-UHFFFAOYSA-N 0 3 429.392 3.244 50 0 IGAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000057373750 569432588 /nfs/dbraw/zinc/43/25/88/569432588.db2.gz AUTSHFFYOQEKSE-UHFFFAOYSA-N 0 3 439.523 3.237 50 0 IGAAHN CCCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000230089042 569434266 /nfs/dbraw/zinc/43/42/66/569434266.db2.gz PPXYOHXTTKWUHJ-FCHUYYIVSA-N 0 3 445.604 3.007 50 0 IGAAHN CCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000230160388 569439768 /nfs/dbraw/zinc/43/97/68/569439768.db2.gz JXKHJAIEPFCSNA-VQTJNVASSA-N 0 3 437.606 3.112 50 0 IGAAHN CN(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1 ZINC000029954469 569439816 /nfs/dbraw/zinc/43/98/16/569439816.db2.gz BJCNFIQCXQSZOV-VQIMIIECSA-N 0 3 430.346 3.221 50 0 IGAAHN CCNc1cc(NCCNS(=O)(=O)c2ccc(-c3csc(C)n3)s2)nc(C)n1 ZINC000038488319 569463023 /nfs/dbraw/zinc/46/30/23/569463023.db2.gz JKQBRRRAMQAHTG-UHFFFAOYSA-N 0 3 438.604 3.101 50 0 IGAAHN CCC(C)(C)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C ZINC000009336781 569523471 /nfs/dbraw/zinc/52/34/71/569523471.db2.gz IVQGHNQSJFCXKW-UHFFFAOYSA-N 0 3 425.595 3.365 50 0 IGAAHN CC1CCN([C@@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2cccs2)CC1 ZINC000009468240 569538598 /nfs/dbraw/zinc/53/85/98/569538598.db2.gz RFMNFSSVSDLATM-IBGZPJMESA-N 0 3 435.615 3.201 50 0 IGAAHN CN(C)[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)Cc1ccccc1 ZINC000009670593 569558318 /nfs/dbraw/zinc/55/83/18/569558318.db2.gz GGMXFHBJCPXZKY-OAQYLSRUSA-N 0 3 426.520 3.288 50 0 IGAAHN CCOC(=O)C1C(CN2CCN(C3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560234 520513384 /nfs/dbraw/zinc/51/33/84/520513384.db2.gz CKNRQAYCIWLSPY-QHCPKHFHSA-N 0 3 440.588 3.116 50 0 IGAAHN CCN(CC)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021811073 520661746 /nfs/dbraw/zinc/66/17/46/520661746.db2.gz QXIAAOSRJHJEQB-XCNDVJPKSA-N 0 3 428.577 3.486 50 0 IGAAHN CC1CCN([C@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c2cccs2)CC1 ZINC000022681093 521035820 /nfs/dbraw/zinc/03/58/20/521035820.db2.gz NLXRPCMNZRNKKD-HXUWFJFHSA-N 0 3 447.626 3.491 50 0 IGAAHN CCCC[C@@H]1CN(CCC(=O)NCc2nc3ccccc3c(=O)[nH]2)Cc2ccccc2O1 ZINC000012244944 521116308 /nfs/dbraw/zinc/11/63/08/521116308.db2.gz ABIKKFOJLGOHTO-LJQANCHMSA-N 0 3 434.540 3.383 50 0 IGAAHN CCN1CCN(CCCNC(=O)c2oc3ccc4c(c3c2C)[C@H](O)CC(C)(C)O4)CC1 ZINC000020560073 521682504 /nfs/dbraw/zinc/68/25/04/521682504.db2.gz IQSYBHHZGHVOOU-QGZVFWFLSA-N 0 3 429.561 3.093 50 0 IGAAHN CCN1CCN(CCOc2ccc3cc(-c4ccc(OC)c(OC)c4)c(=O)oc3c2)CC1 ZINC000020622777 521684185 /nfs/dbraw/zinc/68/41/85/521684185.db2.gz CTSPJDZFMKPMIQ-UHFFFAOYSA-N 0 3 438.524 3.494 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)c(C)c2)CC1 ZINC000012736032 521698026 /nfs/dbraw/zinc/69/80/26/521698026.db2.gz CKOWDUBZXSWVGW-UHFFFAOYSA-N 0 3 429.609 3.488 50 0 IGAAHN COc1ccc(C(=O)[C@@H]2CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)cc1OC ZINC000020908685 523775838 /nfs/dbraw/zinc/77/58/38/523775838.db2.gz VBSSJVPIYVKBRA-GOSISDBHSA-N 0 3 435.524 3.239 50 0 IGAAHN COc1ccc(CN2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)cc1Cn1cncn1 ZINC000012449385 524028786 /nfs/dbraw/zinc/02/87/86/524028786.db2.gz BMCIPXTWFYIZMK-NRFANRHFSA-N 0 3 435.528 3.183 50 0 IGAAHN C[C@@H](C(=O)NCCN1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000035459850 524187513 /nfs/dbraw/zinc/18/75/13/524187513.db2.gz UEMWTYWHTUREFA-OAHLLOKOSA-N 0 3 448.054 3.040 50 0 IGAAHN Cc1cc(C(=O)N2CCC(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)nc(C)n1 ZINC000012471411 526238606 /nfs/dbraw/zinc/23/86/06/526238606.db2.gz MMLQNRDVDBRUBF-HSZRJFAPSA-N 0 3 449.599 3.117 50 0 IGAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000012788089 527047215 /nfs/dbraw/zinc/04/72/15/527047215.db2.gz HBZGWAFVLCIUDF-QFIPXVFZSA-N 0 3 439.515 3.487 50 0 IGAAHN Nc1nonc1C(=O)NCCNCc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040744513 527580899 /nfs/dbraw/zinc/58/08/99/527580899.db2.gz ASRRCRONUXVSGX-UHFFFAOYSA-N 0 3 436.299 3.057 50 0 IGAAHN Cc1nn(C)c(C)c1CN(Cc1ccc(OC[C@H](O)CN2CCCCC2)cc1)C1CC1 ZINC000012593900 527627743 /nfs/dbraw/zinc/62/77/43/527627743.db2.gz HVYHOCJGOTWXTH-HSZRJFAPSA-N 0 3 426.605 3.427 50 0 IGAAHN COc1cc(CNCCSc2nnnn2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000009449066 556292425 /nfs/dbraw/zinc/29/24/25/556292425.db2.gz QKKQRYFSIPXODK-UHFFFAOYSA-N 0 3 437.928 3.472 50 0 IGAAHN CN1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)CC1 ZINC000022923766 556341878 /nfs/dbraw/zinc/34/18/78/556341878.db2.gz LFKJXJSGDYOLDV-UHFFFAOYSA-N 0 3 425.964 3.110 50 0 IGAAHN COc1ccc(CCN(C)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC ZINC000012054810 556393779 /nfs/dbraw/zinc/39/37/79/556393779.db2.gz GHQNIXCSBHSDCU-FQEVSTJZSA-N 0 3 432.586 3.340 50 0 IGAAHN Cc1c(CN2CCC3(CC2)C(=O)N(Cc2ccc4ccccc4c2)C(=O)N3C)cnn1C ZINC000014533256 556421972 /nfs/dbraw/zinc/42/19/72/556421972.db2.gz YCBMUGQXUSWGKE-UHFFFAOYSA-N 0 3 431.540 3.311 50 0 IGAAHN COc1ccc(/C=C/CN2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cc1 ZINC000014535229 556422738 /nfs/dbraw/zinc/42/27/38/556422738.db2.gz ASBDUFSVGVLSNJ-HWKANZROSA-N 0 3 448.567 3.465 50 0 IGAAHN CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccc3ncccc3c1)CC2 ZINC000014745212 556440637 /nfs/dbraw/zinc/44/06/37/556440637.db2.gz VUKHQEUNPIRZOK-UHFFFAOYSA-N 0 3 443.551 3.491 50 0 IGAAHN CCc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 ZINC000014881748 556453820 /nfs/dbraw/zinc/45/38/20/556453820.db2.gz KIJDPPWAZCKQKT-HSZRJFAPSA-N 0 3 432.572 3.421 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n(CCc2cccc(Cl)c2)c1COC ZINC000014963407 556464958 /nfs/dbraw/zinc/46/49/58/556464958.db2.gz SNURHSCAWSCYFC-FQEVSTJZSA-N 0 3 445.991 3.413 50 0 IGAAHN Cc1c(CN2C(=O)c3cccc(N4CCN(C[C@H]5CC=CCC5)CC4)c3C2=O)cnn1C ZINC000014982337 556471385 /nfs/dbraw/zinc/47/13/85/556471385.db2.gz AEZNUGWFYUAHBB-IBGZPJMESA-N 0 3 433.556 3.003 50 0 IGAAHN Cc1ccccc1-c1ccc(CN2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)cc1 ZINC000014990255 556474311 /nfs/dbraw/zinc/47/43/11/556474311.db2.gz PBHAXCZVSVIQAW-QFIPXVFZSA-N 0 3 433.556 3.203 50 0 IGAAHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000072289638 556484220 /nfs/dbraw/zinc/48/42/20/556484220.db2.gz DXXNKAWNHOKMNN-JOCHJYFZSA-N 0 3 436.604 3.218 50 0 IGAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CSc3ccncc3)C2)cc1OC ZINC000015077821 556499955 /nfs/dbraw/zinc/49/99/55/556499955.db2.gz UNERVTCVAXXSIH-IBGZPJMESA-N 0 3 429.586 3.356 50 0 IGAAHN O=C(Nc1cccc(CNC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c1)c1ccccc1Cl ZINC000030665865 556501328 /nfs/dbraw/zinc/50/13/28/556501328.db2.gz WXEXKFCMHZJHBU-XXBNENTESA-N 0 3 443.975 3.419 50 0 IGAAHN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 ZINC000033318288 556560898 /nfs/dbraw/zinc/56/08/98/556560898.db2.gz NEARWJQONMLYBX-UHFFFAOYSA-N 0 3 429.952 3.400 50 0 IGAAHN Cc1ccc(NC(=O)c2nnc(SCC(=O)NCCN3CCCCCC3)s2)cc1 ZINC000033011791 556659821 /nfs/dbraw/zinc/65/98/21/556659821.db2.gz UZQXRVFNJMRLEJ-UHFFFAOYSA-N 0 3 433.603 3.183 50 0 IGAAHN COc1ccc(CN(C)Cc2cnc3ccccn23)cc1OC[C@H](O)CN1CCCCC1 ZINC000055099926 556734725 /nfs/dbraw/zinc/73/47/25/556734725.db2.gz HHTVQZLDKSITHT-JOCHJYFZSA-N 0 3 438.572 3.201 50 0 IGAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCCN4CCCCCC4)c(C)c32)CC1 ZINC000033048426 556744998 /nfs/dbraw/zinc/74/49/98/556744998.db2.gz LUXVCKGJJSKWOL-UHFFFAOYSA-N 0 3 444.649 3.138 50 0 IGAAHN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1CN1CCC(CO)CC1 ZINC000058264837 556776263 /nfs/dbraw/zinc/77/62/63/556776263.db2.gz XZWKAUZWUAIKHJ-SFHVURJKSA-N 0 3 436.556 3.067 50 0 IGAAHN Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1N(C)S(C)(=O)=O ZINC000065363223 556834898 /nfs/dbraw/zinc/83/48/98/556834898.db2.gz LPDSKYFDGFFNAN-UHFFFAOYSA-N 0 3 431.558 3.116 50 0 IGAAHN COc1cc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc(OC)c1O ZINC000019789428 556914575 /nfs/dbraw/zinc/91/45/75/556914575.db2.gz NZEWUNJULMLFBU-UHFFFAOYSA-N 0 3 425.573 3.192 50 0 IGAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019817553 556920131 /nfs/dbraw/zinc/92/01/31/556920131.db2.gz RBEPVNZTLUIZDN-LIRRHRJNSA-N 0 3 426.423 3.410 50 0 IGAAHN COC(=O)c1cn([C@@H]2CCN(Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)nn1 ZINC000097138173 556991598 /nfs/dbraw/zinc/99/15/98/556991598.db2.gz AFAOAPNTATWMIU-OAQYLSRUSA-N 0 3 428.496 3.364 50 0 IGAAHN NC(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)c1ccccc1CN1CCCCC1 ZINC000077010942 556995661 /nfs/dbraw/zinc/99/56/61/556995661.db2.gz DWTZPAPYTNXJRI-OAQYLSRUSA-N 0 3 446.555 3.182 50 0 IGAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3ccc4cc(OCC)ccc4n3)C2)CC1 ZINC000020387643 557012516 /nfs/dbraw/zinc/01/25/16/557012516.db2.gz JAXBGFKKORKKPZ-NRFANRHFSA-N 0 3 426.561 3.372 50 0 IGAAHN COc1ccc([C@H](CNC(=O)CCCn2cnc3c(C)cccc3c2=O)N2CCCC2)cc1 ZINC000010745166 557023530 /nfs/dbraw/zinc/02/35/30/557023530.db2.gz UEJBMWJEZDJOOK-QHCPKHFHSA-N 0 3 448.567 3.447 50 0 IGAAHN O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCN(C2CCCCC2)CC1 ZINC000017252129 557043012 /nfs/dbraw/zinc/04/30/12/557043012.db2.gz HESLSHZMPTWVNM-DEOSSOPVSA-N 0 3 445.563 3.371 50 0 IGAAHN CN1CCCN(c2ccc(CNC(=O)c3cc(-c4cccc(Cl)c4)on3)cn2)CC1 ZINC000048265623 557050909 /nfs/dbraw/zinc/05/09/09/557050909.db2.gz BYFQHKDHUGEVFI-UHFFFAOYSA-N 0 3 425.920 3.462 50 0 IGAAHN CC(C)c1ccc(CNC(=O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 ZINC000049400749 557096299 /nfs/dbraw/zinc/09/62/99/557096299.db2.gz IWGWIWVQWPLRLK-UHFFFAOYSA-N 0 3 430.552 3.241 50 0 IGAAHN COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2cccc(C)c2)CC3)cc1 ZINC000049400932 557096713 /nfs/dbraw/zinc/09/67/13/557096713.db2.gz ZSOPDMYXROSINF-UHFFFAOYSA-N 0 3 432.524 3.066 50 0 IGAAHN COc1ccc(OCCNCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000049590297 557116965 /nfs/dbraw/zinc/11/69/65/557116965.db2.gz GOSQWOKDKPRUEY-OAQYLSRUSA-N 0 3 426.513 3.189 50 0 IGAAHN CC1CCN([C@H](CNC(=O)CCN2C(=O)COc3ccccc32)c2cccs2)CC1 ZINC000027574099 557266158 /nfs/dbraw/zinc/26/61/58/557266158.db2.gz OZZLKCWLDBNXMV-LJQANCHMSA-N 0 3 427.570 3.453 50 0 IGAAHN COCCN(C[C@@H]1CN(Cc2ccccc2OC)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247869337 557367876 /nfs/dbraw/zinc/36/78/76/557367876.db2.gz YYCRONDSBPKGJX-GMAHTHKFSA-N 0 3 444.547 3.171 50 0 IGAAHN COc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc1OC ZINC000023373043 568613598 /nfs/dbraw/zinc/61/35/98/568613598.db2.gz IEUALMVDNSCIPW-NRFANRHFSA-N 0 3 425.573 3.499 50 0 IGAAHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000248132831 568801704 /nfs/dbraw/zinc/80/17/04/568801704.db2.gz ZCTLIGVDZHXLPJ-QUCCMNQESA-N 0 3 425.552 3.490 50 0 IGAAHN CCn1c2ccc(OC)cc2c(N2CCCC2=O)c1C(=O)NCCN1CCCC[C@@H]1C ZINC000015681891 568806948 /nfs/dbraw/zinc/80/69/48/568806948.db2.gz HDSHOLVLHVPBCY-KRWDZBQOSA-N 0 3 426.561 3.401 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000015724219 568812328 /nfs/dbraw/zinc/81/23/28/568812328.db2.gz NWKUSHSOZUQHDD-UHFFFAOYSA-N 0 3 443.551 3.214 50 0 IGAAHN c1cc(CNCc2cccnc2)n(-c2nnc(N3CCN(c4ccccc4)CC3)s2)c1 ZINC000015728178 568813093 /nfs/dbraw/zinc/81/30/93/568813093.db2.gz NFKHCASPQMAART-UHFFFAOYSA-N 0 3 431.569 3.340 50 0 IGAAHN CSc1ccc(O[C@H](C)C(=O)N(C)C[C@@H](O)CN2CCc3ccccc3CC2)cc1 ZINC000089368825 568921454 /nfs/dbraw/zinc/92/14/54/568921454.db2.gz YYRQHXPDGQQXED-WIYYLYMNSA-N 0 3 428.598 3.096 50 0 IGAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1cccc(OC)c1)CN(Cc1ccccc1)CC2 ZINC000065153500 569111851 /nfs/dbraw/zinc/11/18/51/569111851.db2.gz AXHBUKTZMYAISO-UHFFFAOYSA-N 0 3 432.524 3.011 50 0 IGAAHN CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCN(C4CCCCC4)CC3)C2)ncn1 ZINC000065245059 569121546 /nfs/dbraw/zinc/12/15/46/569121546.db2.gz CQIWHCRSKMWXPI-FQEVSTJZSA-N 0 3 428.625 3.382 50 0 IGAAHN Cc1nn(C)c(C)c1CCCN(C)C(=O)c1cccnc1N1CCN[C@H](c2ccccc2)C1 ZINC000065255848 569122955 /nfs/dbraw/zinc/12/29/55/569122955.db2.gz DYBWHWXWMWSQBA-DEOSSOPVSA-N 0 3 446.599 3.288 50 0 IGAAHN O=C(NCCN1CCc2ccccc2C1)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 ZINC000065256199 569123195 /nfs/dbraw/zinc/12/31/95/569123195.db2.gz MXPAIUSWVZCBHX-VWLOTQADSA-N 0 3 441.579 3.021 50 0 IGAAHN CCNc1cc(N2CCC(CCC(=O)N3CCN(C4CCCCC4)CC3)CC2)ncn1 ZINC000065274043 569128250 /nfs/dbraw/zinc/12/82/50/569128250.db2.gz ILCZOQHVDJSQQR-UHFFFAOYSA-N 0 3 428.625 3.382 50 0 IGAAHN C[C@@H](NCCNc1cccc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000170593092 569141181 /nfs/dbraw/zinc/14/11/81/569141181.db2.gz VUKWXYKFOVFMLT-CQSZACIVSA-N 0 3 426.380 3.462 50 0 IGAAHN CC(C)(C)OC(=O)N1CCCN(CCCOC(=O)c2ccc3c(c2)NC(=O)CS3)CC1 ZINC000170609402 569144726 /nfs/dbraw/zinc/14/47/26/569144726.db2.gz IHSCYMHJRWDTHL-UHFFFAOYSA-N 0 3 449.573 3.221 50 0 IGAAHN Cc1cs/c(=N\C(=O)c2cccc(C)c2)n1Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000037436174 569196131 /nfs/dbraw/zinc/19/61/31/569196131.db2.gz SMMFZCQXVGSYMQ-LCUIJRPUSA-N 0 3 436.581 3.247 50 0 IGAAHN Cc1cn(Cc2cccc(C(=O)NCCN(C)C)c2)/c(=N/C(=O)c2ccc(F)cc2)s1 ZINC000037436923 569196261 /nfs/dbraw/zinc/19/62/61/569196261.db2.gz VQNAOMQSEYEWHE-RWEWTDSWSA-N 0 3 440.544 3.078 50 0 IGAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)NCc4ccccc4)CC3)C2)CC1 ZINC000581819787 569211627 /nfs/dbraw/zinc/21/16/27/569211627.db2.gz KUYAXXCHNQHYLN-QHCPKHFHSA-N 0 3 428.621 3.183 50 0 IGAAHN CCN1CCN(CCNc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn32)CC1 ZINC000020279821 569358600 /nfs/dbraw/zinc/35/86/00/569358600.db2.gz IHRSZUOCWHDYII-UHFFFAOYSA-N 0 3 438.576 3.080 50 0 IGAAHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(OCCOC)nc1 ZINC000095408311 569364681 /nfs/dbraw/zinc/36/46/81/569364681.db2.gz SJCFCIWKXQELOX-FQEVSTJZSA-N 0 3 428.533 3.331 50 0 IGAAHN CCc1nc2cc(N3CCC(C(=O)NCCN4CCCC[C@H]4C)CC3)cnc2nc1CC ZINC000096387435 569398950 /nfs/dbraw/zinc/39/89/50/569398950.db2.gz QCSYXVFFEUXMNP-GOSISDBHSA-N 0 3 438.620 3.357 50 0 IGAAHN CCCN1C(=O)N(CCC)C(=O)C2(Cc3c(Cl)cccc3N3CCN(CC)C[C@H]32)C1=O ZINC000057128603 569429703 /nfs/dbraw/zinc/42/97/03/569429703.db2.gz KYWISIMLFZVJQW-IBGZPJMESA-N 0 3 446.979 3.004 50 0 IGAAHN CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000040146934 569492358 /nfs/dbraw/zinc/49/23/58/569492358.db2.gz PFZLKSJONYGKTD-JOCHJYFZSA-N 0 3 443.613 3.188 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000069930208 569524207 /nfs/dbraw/zinc/52/42/07/569524207.db2.gz AQKQYPQAWPZKEQ-HSZRJFAPSA-N 0 3 448.592 3.464 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccco3)CC2)N2CCCC2)cc1 ZINC000009481894 569539457 /nfs/dbraw/zinc/53/94/57/569539457.db2.gz KWYLCFNCGAQEFL-OAQYLSRUSA-N 0 3 425.529 3.094 50 0 IGAAHN Cc1nc(N2CCC(N3CCC[C@@H](C(=O)c4nccn4C)C3)CC2)nc2ccc(F)cc12 ZINC000011782830 132339556 /nfs/dbraw/zinc/33/95/56/132339556.db2.gz KUOXDPGLMTYCEV-QGZVFWFLSA-N 0 3 436.535 3.375 50 0 IGAAHN CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)Cn3cnc4ccccc4c3=O)C2)cc1 ZINC000012466347 519437875 /nfs/dbraw/zinc/43/78/75/519437875.db2.gz MBCGJBDEDNSMBM-QFIPXVFZSA-N 0 3 432.568 3.376 50 0 IGAAHN CCCN1CCN(CCCNC(=O)c2c(C)nn(-c3cccc(C)c3)c2-n2cccc2)CC1 ZINC000020979391 519858081 /nfs/dbraw/zinc/85/80/81/519858081.db2.gz IPTSWNDJOZHWNH-UHFFFAOYSA-N 0 3 448.615 3.427 50 0 IGAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)CC1 ZINC000020907132 520959544 /nfs/dbraw/zinc/95/95/44/520959544.db2.gz IGLNXFVTSGGACX-HXUWFJFHSA-N 0 3 431.968 3.469 50 0 IGAAHN CC1CCN(CCNC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)CC1 ZINC000021714286 521011322 /nfs/dbraw/zinc/01/13/22/521011322.db2.gz SLGKONQGPWFQSA-UHFFFAOYSA-N 0 3 431.968 3.455 50 0 IGAAHN CCOC(=O)c1cnn(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)c1N ZINC000021651978 521579244 /nfs/dbraw/zinc/57/92/44/521579244.db2.gz ZUHZREPPFXGNCZ-UHFFFAOYSA-N 0 3 447.539 3.026 50 0 IGAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c(Cl)c1 ZINC000012596716 521785618 /nfs/dbraw/zinc/78/56/18/521785618.db2.gz ARMKCZAJOGIBEA-QGZVFWFLSA-N 0 3 433.980 3.358 50 0 IGAAHN COc1cc(CN2CCC3(CC[C@H](CNC(=O)c4cccnc4)O3)CC2)cc(OC)c1 ZINC000012509499 522374705 /nfs/dbraw/zinc/37/47/05/522374705.db2.gz DGGFRAUEOWUJCT-HXUWFJFHSA-N 0 3 425.529 3.042 50 0 IGAAHN COc1cc(CN2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc(OC)c1OC ZINC000012112307 522374974 /nfs/dbraw/zinc/37/49/74/522374974.db2.gz VYNORNWFEXOOBM-IBGZPJMESA-N 0 3 447.620 3.257 50 0 IGAAHN COc1cc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc(OC)c1 ZINC000021795872 522684808 /nfs/dbraw/zinc/68/48/08/522684808.db2.gz JFDVLUIWXJMNHE-UHFFFAOYSA-N 0 3 440.548 3.147 50 0 IGAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2OC)n2c3ccccc3nc21 ZINC000023382061 523291941 /nfs/dbraw/zinc/29/19/41/523291941.db2.gz XSFCKOUKLFPENU-IBGZPJMESA-N 0 3 438.484 3.007 50 0 IGAAHN CCn1cc(CNCc2ccc(OC)c(OC[C@H](O)CN(C)Cc3ccccc3)c2)cn1 ZINC000012706736 523384397 /nfs/dbraw/zinc/38/43/97/523384397.db2.gz VYTYIPLEBOHWLF-HSZRJFAPSA-N 0 3 438.572 3.073 50 0 IGAAHN CN1CCC(N2CCN(Cc3cnc(-c4cccc5ccccc54)nc3)C[C@@H]2CCO)CC1 ZINC000020560524 523771617 /nfs/dbraw/zinc/77/16/17/523771617.db2.gz JKZOAGYQXHGKNK-DEOSSOPVSA-N 0 3 445.611 3.260 50 0 IGAAHN COc1ccc(CC(=O)Nc2ccc(N3CCC(NCc4cnn(C)c4)CC3)cc2)cc1 ZINC000012243587 523908427 /nfs/dbraw/zinc/90/84/27/523908427.db2.gz VDDBCBSPMKJRJC-UHFFFAOYSA-N 0 3 433.556 3.369 50 0 IGAAHN COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c2ccccc12 ZINC000020450864 524039723 /nfs/dbraw/zinc/03/97/23/524039723.db2.gz JUFULKYFHCVVDJ-UHFFFAOYSA-N 0 3 445.523 3.064 50 0 IGAAHN Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1C ZINC000020915531 524263293 /nfs/dbraw/zinc/26/32/93/524263293.db2.gz MQRZWMNKMWAEHF-UHFFFAOYSA-N 0 3 449.574 3.302 50 0 IGAAHN Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)s1 ZINC000020450837 524475613 /nfs/dbraw/zinc/47/56/13/524475613.db2.gz LESRLQHBCTUQIP-AWEZNQCLSA-N 0 3 431.512 3.476 50 0 IGAAHN Cc1cccn2c(CNCCCn3ccc4ccccc43)c(C(=O)N3CCOCC3)nc12 ZINC000012447417 525467221 /nfs/dbraw/zinc/46/72/21/525467221.db2.gz GSXOIYKCNAKHJM-UHFFFAOYSA-N 0 3 431.540 3.250 50 0 IGAAHN O=C(CCC1CCN(C(=O)C(=O)c2ccccc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012458983 526408947 /nfs/dbraw/zinc/40/89/47/526408947.db2.gz VYLAOMUHYKVGOE-XMMPIXPASA-N 0 3 447.579 3.279 50 0 IGAAHN O=C(c1ccc(N2CCC(NCc3cccc(F)c3F)CC2)cc1)N1CCC[C@@H](O)C1 ZINC000012470596 526698346 /nfs/dbraw/zinc/69/83/46/526698346.db2.gz OBEJSHXSVZOQQD-OAQYLSRUSA-N 0 3 429.511 3.320 50 0 IGAAHN Cn1cc(CN2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)c2cc(Cl)ccc21 ZINC000035457851 527196835 /nfs/dbraw/zinc/19/68/35/527196835.db2.gz FAFSFYGUMKSKOZ-UHFFFAOYSA-N 0 3 431.964 3.409 50 0 IGAAHN Cn1cc(CN[C@@H](CCn2cncn2)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012592307 527220236 /nfs/dbraw/zinc/22/02/36/527220236.db2.gz FCIUMJWSBOMNGU-NRFANRHFSA-N 0 3 430.512 3.371 50 0 IGAAHN NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000004271987 555981067 /nfs/dbraw/zinc/98/10/67/555981067.db2.gz CCEARLNRGNUNSC-UHFFFAOYSA-N 0 3 436.556 3.223 50 0 IGAAHN COc1cc(CNC(C)(C)CO)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000004644048 556004961 /nfs/dbraw/zinc/00/49/61/556004961.db2.gz BLYCPIMEFYCRIC-UHFFFAOYSA-N 0 3 437.334 3.336 50 0 IGAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1 ZINC000008452464 556182785 /nfs/dbraw/zinc/18/27/85/556182785.db2.gz BRRVKNFTWRFIMO-UHFFFAOYSA-N 0 3 430.501 3.463 50 0 IGAAHN O=C(CCC1CCN(C(=O)COc2ccccc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000011840864 556365165 /nfs/dbraw/zinc/36/51/65/556365165.db2.gz NERASBGDHYKBJC-DEOSSOPVSA-N 0 3 449.595 3.475 50 0 IGAAHN Cc1cc(C(=O)NC[C@H]2CCC3(CCN(CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)O2)n(C)n1 ZINC000011997255 556384144 /nfs/dbraw/zinc/38/41/44/556384144.db2.gz MSGWIQIYXCSWLC-HBMCJLEFSA-N 0 3 426.605 3.464 50 0 IGAAHN CC1CCN(CCNC(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)CC1 ZINC000065172611 556412724 /nfs/dbraw/zinc/41/27/24/556412724.db2.gz WAUVEHLJXGEPLY-UHFFFAOYSA-N 0 3 437.588 3.287 50 0 IGAAHN COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(C)cc1)CC2 ZINC000014531115 556420409 /nfs/dbraw/zinc/42/04/09/556420409.db2.gz GETXRPJXQONWNJ-UHFFFAOYSA-N 0 3 436.556 3.226 50 0 IGAAHN CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 ZINC000013096777 556457650 /nfs/dbraw/zinc/45/76/50/556457650.db2.gz PBNJZGKTWNWGFD-QFIPXVFZSA-N 0 3 429.586 3.284 50 0 IGAAHN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2ccc(OCCO)cc2)C1 ZINC000014960911 556463882 /nfs/dbraw/zinc/46/38/82/556463882.db2.gz SEIVAADTHDKHQC-RUZDIDTESA-N 0 3 427.541 3.454 50 0 IGAAHN Cc1ccccc1-c1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c(N(C)C)n1 ZINC000014997382 556478333 /nfs/dbraw/zinc/47/83/33/556478333.db2.gz VKUHRKSYRJRXTE-UHFFFAOYSA-N 0 3 449.599 3.069 50 0 IGAAHN CC1CCN([C@H](CNC(=O)CN(C)S(=O)(=O)c2cccs2)c2cccs2)CC1 ZINC000032716673 556505817 /nfs/dbraw/zinc/50/58/17/556505817.db2.gz FJVYOEYBGJAGHJ-MRXNPFEDSA-N 0 3 441.644 3.020 50 0 IGAAHN COc1ccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1OC ZINC000015856073 556557528 /nfs/dbraw/zinc/55/75/28/556557528.db2.gz BYGOTZRGCUVXSG-UHFFFAOYSA-N 0 3 437.584 3.260 50 0 IGAAHN Cc1ccc(C)c(NC(=O)[C@H](NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1 ZINC000016046211 556580181 /nfs/dbraw/zinc/58/01/81/556580181.db2.gz CVHYYMDVLSOVBY-HSZRJFAPSA-N 0 3 437.565 3.463 50 0 IGAAHN O=C1C[C@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000016225592 556592367 /nfs/dbraw/zinc/59/23/67/556592367.db2.gz LKWFPIJVILFXEG-FQEVSTJZSA-N 0 3 442.357 3.335 50 0 IGAAHN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCN(C)Cc3ccccc3)CC2)cc1 ZINC000032974002 556595995 /nfs/dbraw/zinc/59/59/95/556595995.db2.gz PNCSRCFHNOYFRU-UHFFFAOYSA-N 0 3 443.613 3.034 50 0 IGAAHN CC(C)OC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1 ZINC000036313999 556596478 /nfs/dbraw/zinc/59/64/78/556596478.db2.gz JEXXZOIWXCDSJT-OAQYLSRUSA-N 0 3 429.561 3.176 50 0 IGAAHN O=C(CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCN1CCCCC1 ZINC000032995203 556610425 /nfs/dbraw/zinc/61/04/25/556610425.db2.gz XHJWGUUIOKICLX-UHFFFAOYSA-N 0 3 435.981 3.369 50 0 IGAAHN CC(C)Oc1c(Br)cc(Br)cc1CNCCN1CCOCC1 ZINC000040719649 556645335 /nfs/dbraw/zinc/64/53/35/556645335.db2.gz YSHDRPDNOGIBER-UHFFFAOYSA-N 0 3 436.188 3.421 50 0 IGAAHN COc1cccc([C@@H](CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)N2CCCC2)c1 ZINC000057997471 556752178 /nfs/dbraw/zinc/75/21/78/556752178.db2.gz KYOMXTSPJICSMA-HSZRJFAPSA-N 0 3 447.539 3.259 50 0 IGAAHN CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(C)ccc3OC)c(=O)c2C1 ZINC000062007127 556765141 /nfs/dbraw/zinc/76/51/41/556765141.db2.gz XANTZZXWOIVWAC-UHFFFAOYSA-N 0 3 432.524 3.244 50 0 IGAAHN O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)N1CCN(C2CCCCC2)CC1 ZINC000033061523 556818310 /nfs/dbraw/zinc/81/83/10/556818310.db2.gz KVTAGDBDOZBBPN-UHFFFAOYSA-N 0 3 427.574 3.200 50 0 IGAAHN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2Cl)cc1 ZINC000065364492 556835630 /nfs/dbraw/zinc/83/56/30/556835630.db2.gz JHXFEOPHYSMRCT-UHFFFAOYSA-N 0 3 435.977 3.054 50 0 IGAAHN CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CCN(CC2CC2)CC1 ZINC000019884394 556938224 /nfs/dbraw/zinc/93/82/24/556938224.db2.gz GGGWNHMIXLPIRY-UHFFFAOYSA-N 0 3 437.613 3.238 50 0 IGAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019962128 556955615 /nfs/dbraw/zinc/95/56/15/556955615.db2.gz WTBFPXDDCZTQSX-LJQANCHMSA-N 0 3 441.447 3.277 50 0 IGAAHN CCNc1cc(N2CCN(C(=O)c3cccc(Oc4ccc(C)nn4)c3)CC2)nc(C)n1 ZINC000072441616 556972993 /nfs/dbraw/zinc/97/29/93/556972993.db2.gz WJIVNKHEQNEYOV-UHFFFAOYSA-N 0 3 433.516 3.070 50 0 IGAAHN O=C(Cn1cnc2c3ccccc3[nH]c2c1=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000023125963 557007761 /nfs/dbraw/zinc/00/77/61/557007761.db2.gz KHHQZHPTYFQQRS-UHFFFAOYSA-N 0 3 447.514 3.045 50 0 IGAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3ccc4cc(OCC)ccc4n3)C2)CC1 ZINC000020387637 557012451 /nfs/dbraw/zinc/01/24/51/557012451.db2.gz JAXBGFKKORKKPZ-OAQYLSRUSA-N 0 3 426.561 3.372 50 0 IGAAHN CCN(CC)[C@@H]1CCN(Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)C1 ZINC000022926613 557048623 /nfs/dbraw/zinc/04/86/23/557048623.db2.gz SYWXIUZOKPTNTI-OAQYLSRUSA-N 0 3 432.634 3.277 50 0 IGAAHN CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1N1CC[NH2+]CC1 ZINC000033275409 557054479 /nfs/dbraw/zinc/05/44/79/557054479.db2.gz MBMWIJBHODXZCC-GOSISDBHSA-N 0 3 444.601 3.042 50 0 IGAAHN CC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1N1CC[NH2+]CC1 ZINC000033275410 557054525 /nfs/dbraw/zinc/05/45/25/557054525.db2.gz MBMWIJBHODXZCC-SFHVURJKSA-N 0 3 444.601 3.042 50 0 IGAAHN Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCCN3CCCCCC3)C2)s1 ZINC000033315266 557097290 /nfs/dbraw/zinc/09/72/90/557097290.db2.gz HDPWMJZWSFFTFM-IBGZPJMESA-N 0 3 430.622 3.154 50 0 IGAAHN CC[C@H](CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)N1CCCC1 ZINC000024800746 557168008 /nfs/dbraw/zinc/16/80/08/557168008.db2.gz XSEJLBOCTVDDNI-HXUWFJFHSA-N 0 3 429.586 3.424 50 0 IGAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@H]1c1ccccc1C ZINC000103410002 557314979 /nfs/dbraw/zinc/31/49/79/557314979.db2.gz RWUYHERSQWRKIA-NRFANRHFSA-N 0 3 442.585 3.201 50 0 IGAAHN O=C(CC1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019817625 557522584 /nfs/dbraw/zinc/52/25/84/557522584.db2.gz JQARKEBJEGFQRB-GOSISDBHSA-N 0 3 430.420 3.475 50 0 IGAAHN Clc1ccc(Cn2nc(CNCCCN3CCOCC3)c(-c3ccccc3)n2)cc1 ZINC000261491707 568734495 /nfs/dbraw/zinc/73/44/95/568734495.db2.gz DWVXCRXATWAEKL-UHFFFAOYSA-N 0 3 425.964 3.459 50 0 IGAAHN O[C@@H](COC[C@@H]1CCCO1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000005938963 568738589 /nfs/dbraw/zinc/73/85/89/568738589.db2.gz AWGLHAUAFJZOQS-RPBOFIJWSA-N 0 3 425.569 3.191 50 0 IGAAHN CN(CCCNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1)Cc1ccccc1 ZINC000015724271 568812350 /nfs/dbraw/zinc/81/23/50/568812350.db2.gz ZGLBJSCFZFEQTH-UHFFFAOYSA-N 0 3 431.540 3.072 50 0 IGAAHN CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1csc2ccccc21 ZINC000575620784 568882930 /nfs/dbraw/zinc/88/29/30/568882930.db2.gz MAIFVPKYEMUOKA-LJQANCHMSA-N 0 3 431.583 3.184 50 0 IGAAHN CC[C@@H](C(=O)NCCCN(C)Cc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787496 568956280 /nfs/dbraw/zinc/95/62/80/568956280.db2.gz YIKJKXZELDBVCB-QFIPXVFZSA-N 0 3 445.567 3.478 50 0 IGAAHN CCN1CCN(CCCNC(=O)c2c(C)onc2-c2ccc(Br)s2)CC1 ZINC000064820211 568967102 /nfs/dbraw/zinc/96/71/02/568967102.db2.gz JIWUZVRPADEZSJ-UHFFFAOYSA-N 0 3 441.395 3.231 50 0 IGAAHN C[C@@H]1Cc2cc(S(=O)(=O)NCCCN3CCC[C@@H](C)C3)ccc2N1C(=O)C1CCC1 ZINC000169680938 568991315 /nfs/dbraw/zinc/99/13/15/568991315.db2.gz XQJYGLDILUBLJV-QZTJIDSGSA-N 0 3 433.618 3.165 50 0 IGAAHN CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCCN(C)Cc3ccccc3)cc21 ZINC000064952242 568996867 /nfs/dbraw/zinc/99/68/67/568996867.db2.gz YDNVEMJOEILFDL-UHFFFAOYSA-N 0 3 447.626 3.336 50 0 IGAAHN CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCN(C)C3CCCCC3)cc21 ZINC000064952267 568998061 /nfs/dbraw/zinc/99/80/61/568998061.db2.gz VHCMJQDWUKWHMI-UHFFFAOYSA-N 0 3 425.620 3.078 50 0 IGAAHN CCN1CCN(CCNC(=O)c2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)CC1 ZINC000065178272 569114371 /nfs/dbraw/zinc/11/43/71/569114371.db2.gz SKRAMRGNVPSVDC-UHFFFAOYSA-N 0 3 435.616 3.496 50 0 IGAAHN COc1ccc(-c2ccc3nc(N4CCC(C(=O)NCCN(C)C)CC4)sc3n2)cc1 ZINC000065272028 569128820 /nfs/dbraw/zinc/12/88/20/569128820.db2.gz WUCDWZDOHQWVFA-UHFFFAOYSA-N 0 3 439.585 3.261 50 0 IGAAHN C[C@H](NCCNc1cccc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000170593091 569141151 /nfs/dbraw/zinc/14/11/51/569141151.db2.gz VUKWXYKFOVFMLT-AWEZNQCLSA-N 0 3 426.380 3.462 50 0 IGAAHN O=C(CCc1nc(-c2ccsc2)no1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000170613555 569146229 /nfs/dbraw/zinc/14/62/29/569146229.db2.gz KFTCMZZYJZRMTR-IBGZPJMESA-N 0 3 426.542 3.138 50 0 IGAAHN O=C(CCc1nc(-c2ccsc2)no1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000170613554 569146294 /nfs/dbraw/zinc/14/62/94/569146294.db2.gz KFTCMZZYJZRMTR-LJQANCHMSA-N 0 3 426.542 3.138 50 0 IGAAHN COCCN(C[C@@H]1CN(Cc2ccc(F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000037524391 569198608 /nfs/dbraw/zinc/19/86/08/569198608.db2.gz KIMGMHWFRLGICQ-NZQKXSOJSA-N 0 3 432.511 3.302 50 0 IGAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)C4(c5ccccc5)CC4)CC3)C2)CC1 ZINC000581819769 569211587 /nfs/dbraw/zinc/21/15/87/569211587.db2.gz JVVVTJFMBJAQGP-QHCPKHFHSA-N 0 3 425.617 3.284 50 0 IGAAHN COc1cc(CNCCc2nncn2C)cc(Br)c1OCc1ccccc1 ZINC000078869818 569319636 /nfs/dbraw/zinc/31/96/36/569319636.db2.gz FAAXCGFZQRVLHN-UHFFFAOYSA-N 0 3 431.334 3.498 50 0 IGAAHN O=C(CN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)NCCCN1CCCCCC1=O ZINC000079051967 569323365 /nfs/dbraw/zinc/32/33/65/569323365.db2.gz JYNYVMSFWXVRPG-DHIUTWEWSA-N 0 3 429.605 3.264 50 0 IGAAHN COC(=O)CC1(NCC(=O)Nc2ccc(I)cc2)CCCCC1 ZINC000079075154 569324727 /nfs/dbraw/zinc/32/47/27/569324727.db2.gz DOXAGBVQXXWDCF-UHFFFAOYSA-N 0 3 430.286 3.085 50 0 IGAAHN O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCCN1CCCC1 ZINC000020180698 569355142 /nfs/dbraw/zinc/35/51/42/569355142.db2.gz UJEMBHKAHAPNQI-RCCKNPSSSA-N 0 3 425.916 3.319 50 0 IGAAHN O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000096099728 569381800 /nfs/dbraw/zinc/38/18/00/569381800.db2.gz VDYFXLWJCDXQMD-KRWDZBQOSA-N 0 3 436.961 3.352 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)CCCN1c2c(C)nn(-c3ccccc3)c2SCC1=O ZINC000015735119 569448104 /nfs/dbraw/zinc/44/81/04/569448104.db2.gz RTXVKTATCBYRNE-LJQANCHMSA-N 0 3 441.601 3.000 50 0 IGAAHN Cc1cc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)c2cccc(Cl)c2n1 ZINC000670447931 569454365 /nfs/dbraw/zinc/45/43/65/569454365.db2.gz UFUZGNBADPXIKG-RMIBCPJUSA-N 0 3 446.982 3.494 50 0 IGAAHN CCc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)N(C)C)cc1 ZINC000040050665 569484196 /nfs/dbraw/zinc/48/41/96/569484196.db2.gz VEDSATRMBAFUBT-JOCHJYFZSA-N 0 3 429.586 3.031 50 0 IGAAHN COc1cc(CS(=O)(=O)C(C)C(=O)N[C@H](C)c2ccccc2)ccc1OC(F)F ZINC000040106103 569488363 /nfs/dbraw/zinc/48/83/63/569488363.db2.gz OWLFYDHJLSLZRP-KGLIPLIRSA-N 0 3 427.469 3.477 50 0 IGAAHN CC(=O)N1c2ccc(S(=O)(=O)N3C[C@@H]4CCCN4Cc4ccccc43)cc2C[C@H]1C ZINC000040146665 569492308 /nfs/dbraw/zinc/49/23/08/569492308.db2.gz JGVCXIXACNVMLQ-UZLBHIALSA-N 0 3 425.554 3.157 50 0 IGAAHN CN(C)[C@@H](CNC(=O)CCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000009766833 569566875 /nfs/dbraw/zinc/56/68/75/569566875.db2.gz LSBMNVWFVATQSO-QHCPKHFHSA-N 0 3 439.581 3.317 50 0 IGAAHN CCN1CCN(c2nc(-n3nc(C)cc3C)nc3sc4c(c32)CC(C)(C)OC4)CC1 ZINC000005576614 132275511 /nfs/dbraw/zinc/27/55/11/132275511.db2.gz MZEQNUIQCWYMNY-UHFFFAOYSA-N 0 3 426.590 3.487 50 0 IGAAHN O=C1CC[C@H](N2CCN(c3ccccn3)CC2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000011787576 132339851 /nfs/dbraw/zinc/33/98/51/132339851.db2.gz DYVUQEFMUCXGLI-SFHVURJKSA-N 0 3 442.947 3.167 50 0 IGAAHN CC1=C(C(=O)Nc2ccc(C(=O)NCCN(C)Cc3ccccc3)cc2)SCCO1 ZINC000020919594 520802719 /nfs/dbraw/zinc/80/27/19/520802719.db2.gz JUOZVFZBKUIJPZ-UHFFFAOYSA-N 0 3 425.554 3.482 50 0 IGAAHN CC1CCC2(CC1)OC[C@H](C(=O)NCCN(C)C)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035981567 520967663 /nfs/dbraw/zinc/96/76/63/520967663.db2.gz UDUSTTFRWSTCHQ-TUVDCLKLSA-N 0 3 442.387 3.419 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1COC ZINC000012135174 521639819 /nfs/dbraw/zinc/63/98/19/521639819.db2.gz GTKCSYLJQMKRSI-MRXNPFEDSA-N 0 3 440.573 3.060 50 0 IGAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000012597591 521654972 /nfs/dbraw/zinc/65/49/72/521654972.db2.gz FAESITWDVVZUIN-NRFANRHFSA-N 0 3 425.577 3.329 50 0 IGAAHN COc1cc(-c2n[nH]cc2CN2CCCC[C@H]2CCN2CCOCC2)cc(OC)c1OC ZINC000012445327 521899902 /nfs/dbraw/zinc/89/99/02/521899902.db2.gz PXTADWUTFWLFKS-FQEVSTJZSA-N 0 3 444.576 3.179 50 0 IGAAHN COc1ccc(CNCc2ccccc2Cl)cc1OC[C@H](O)CN1CCCN(C)CC1 ZINC000020782536 524073258 /nfs/dbraw/zinc/07/32/58/524073258.db2.gz HCWWFYHNUJPPNG-OAQYLSRUSA-N 0 3 448.007 3.016 50 0 IGAAHN COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)C(=O)c2ccccc2)C1 ZINC000012442922 524448166 /nfs/dbraw/zinc/44/81/66/524448166.db2.gz UGPLNUPTUWSFIN-NRFANRHFSA-N 0 3 437.584 3.180 50 0 IGAAHN COc1ccc(OC)c(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1 ZINC000021795209 524857546 /nfs/dbraw/zinc/85/75/46/524857546.db2.gz SBJMUCJVEUGCFK-UHFFFAOYSA-N 0 3 440.548 3.147 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)N2CCCC2)cc1 ZINC000012926827 525182708 /nfs/dbraw/zinc/18/27/08/525182708.db2.gz YTTNYDZGCGUIAC-GOSISDBHSA-N 0 3 440.569 3.106 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)N(C)C)cc1 ZINC000012804995 525186781 /nfs/dbraw/zinc/18/67/81/525186781.db2.gz NYTAGLIDDRBBEU-HSZRJFAPSA-N 0 3 442.519 3.427 50 0 IGAAHN COc1ccc([C@H](CNCc2cc(=O)oc3cc4c(cc23)CCC4)N2CCOCC2)cc1 ZINC000022920900 525362153 /nfs/dbraw/zinc/36/21/53/525362153.db2.gz CRCNVMYREOJUIC-DEOSSOPVSA-N 0 3 434.536 3.453 50 0 IGAAHN Cc1cc2nc(C)c(=O)n(CC(=O)NCCN3CCC(Cc4ccccc4)CC3)c2cc1C ZINC000032974675 525670588 /nfs/dbraw/zinc/67/05/88/525670588.db2.gz OQVAIBDYVWRMCY-UHFFFAOYSA-N 0 3 446.595 3.393 50 0 IGAAHN O=C(NCCN1CCCCC1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020565132 526307966 /nfs/dbraw/zinc/30/79/66/526307966.db2.gz HJLYDNPKZHKOFF-UHFFFAOYSA-N 0 3 425.558 3.442 50 0 IGAAHN O=C(NCCN1CCCCCC1)c1ccc(NC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000020864121 526310281 /nfs/dbraw/zinc/31/02/81/526310281.db2.gz DKTNBPSNEBTYAE-UHFFFAOYSA-N 0 3 435.528 3.283 50 0 IGAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000012788082 526922729 /nfs/dbraw/zinc/92/27/29/526922729.db2.gz HBZGWAFVLCIUDF-JOCHJYFZSA-N 0 3 439.515 3.487 50 0 IGAAHN OCCOc1cccc(CN2CCC[C@@H](c3ccnc(SCCN4CCCC4)n3)C2)c1 ZINC000012281032 527558916 /nfs/dbraw/zinc/55/89/16/527558916.db2.gz NXNMOUBPTJCYBR-OAQYLSRUSA-N 0 3 442.629 3.415 50 0 IGAAHN Nc1nonc1C(=O)NCCNCc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040744484 527580644 /nfs/dbraw/zinc/58/06/44/527580644.db2.gz XAKXQJHWLFLMPY-UHFFFAOYSA-N 0 3 436.299 3.057 50 0 IGAAHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CN(C)C)c3ccccc3)CC2)cc1C ZINC000032772448 556335226 /nfs/dbraw/zinc/33/52/26/556335226.db2.gz WFEICQIXCQOGGU-HSZRJFAPSA-N 0 3 443.613 3.123 50 0 IGAAHN Nc1nonc1C(=O)NCCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013945995 556342994 /nfs/dbraw/zinc/34/29/94/556342994.db2.gz FTNSUHWDVOCGMA-UHFFFAOYSA-N 0 3 436.299 3.057 50 0 IGAAHN CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2ccc4cccnc4c2)CC3)CC1 ZINC000011996403 556384078 /nfs/dbraw/zinc/38/40/78/556384078.db2.gz YGCSIGITTBMRCJ-OAQYLSRUSA-N 0 3 436.556 3.138 50 0 IGAAHN COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2)C(C)C ZINC000012035976 556389850 /nfs/dbraw/zinc/38/98/50/556389850.db2.gz VZVTYQAJTOVHNS-OAQYLSRUSA-N 0 3 427.574 3.011 50 0 IGAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C/C(C)=C/c1ccco1)CC2 ZINC000014539921 556424969 /nfs/dbraw/zinc/42/49/69/556424969.db2.gz WZADCTULPKGAPX-XDJHFCHBSA-N 0 3 438.528 3.023 50 0 IGAAHN Cc1nc2ccccc2nc1CN1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C ZINC000014744022 556440005 /nfs/dbraw/zinc/44/00/05/556440005.db2.gz VTFQQZLHEHGRGM-UHFFFAOYSA-N 0 3 429.524 3.367 50 0 IGAAHN COCCN1C(=O)N(CCc2ccccc2)C2(CCN(CCc3ccccc3)CC2)C1=O ZINC000014747691 556441976 /nfs/dbraw/zinc/44/19/76/556441976.db2.gz CTGMUSKQZXPXOS-UHFFFAOYSA-N 0 3 435.568 3.217 50 0 IGAAHN COCCNC(=O)c1ccc(OC2CCN(Cc3cccc4nonc43)CC2)c(Cl)c1 ZINC000015069941 556494985 /nfs/dbraw/zinc/49/49/85/556494985.db2.gz CWIYCDFQNJGEKP-UHFFFAOYSA-N 0 3 444.919 3.296 50 0 IGAAHN COc1cccc(CNCCc2ccc(S(N)(=O)=O)cc2)c1OCc1ccc(F)cc1 ZINC000016228225 556593551 /nfs/dbraw/zinc/59/35/51/556593551.db2.gz HSHZIFAZMUREIG-UHFFFAOYSA-N 0 3 444.528 3.393 50 0 IGAAHN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(C)C ZINC000036150926 556594152 /nfs/dbraw/zinc/59/41/52/556594152.db2.gz OZYYHALFTLIJRG-OAQYLSRUSA-N 0 3 431.577 3.422 50 0 IGAAHN Cc1ccc(CN2CC[C@H](CNC(=O)Cn3c4cc(C)c(C)cc4nc(C)c3=O)C2)cc1 ZINC000032974683 556595816 /nfs/dbraw/zinc/59/58/16/556595816.db2.gz KIDWQRWSVYGTBR-JOCHJYFZSA-N 0 3 432.568 3.268 50 0 IGAAHN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1 ZINC000036314000 556596585 /nfs/dbraw/zinc/59/65/85/556596585.db2.gz JEXXZOIWXCDSJT-NRFANRHFSA-N 0 3 429.561 3.176 50 0 IGAAHN COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)ccc1O ZINC000016751580 556637556 /nfs/dbraw/zinc/63/75/56/556637556.db2.gz FOQSLXUODOMUBF-FQEVSTJZSA-N 0 3 426.444 3.143 50 0 IGAAHN CCCOc1c(Br)cc(CNCCSc2nnnn2C)cc1OCC ZINC000040721850 556647608 /nfs/dbraw/zinc/64/76/08/556647608.db2.gz DGLGFQURKSSKQZ-UHFFFAOYSA-N 0 3 430.372 3.042 50 0 IGAAHN O=C1C[C@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccc2c(c1)OCCO2 ZINC000018088274 556683629 /nfs/dbraw/zinc/68/36/29/556683629.db2.gz STXBJZSPEROKKR-SFHVURJKSA-N 0 3 425.872 3.057 50 0 IGAAHN c1csc(CNc2nc3nonc3nc2N2CCCN(Cc3cccs3)CC2)c1 ZINC000055252198 556738912 /nfs/dbraw/zinc/73/89/12/556738912.db2.gz XEAKSSGNDSRDDW-UHFFFAOYSA-N 0 3 427.559 3.460 50 0 IGAAHN CCN1CCN(C[C@H](O)COc2ccc(CN(C)Cc3ccc(C)cc3)cc2OC)CC1 ZINC000019606686 556831403 /nfs/dbraw/zinc/83/14/03/556831403.db2.gz JKMCBIGVANZNDQ-DEOSSOPVSA-N 0 3 441.616 3.013 50 0 IGAAHN O=C(CCc1cccnc1)NCc1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 ZINC000019742327 556886253 /nfs/dbraw/zinc/88/62/53/556886253.db2.gz SAERJFLRPJCWHT-UHFFFAOYSA-N 0 3 446.580 3.195 50 0 IGAAHN Cc1cccn2c(CN3CCN(C(C)C)CC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019789597 556914548 /nfs/dbraw/zinc/91/45/48/556914548.db2.gz NCFWPBNCKQVZQM-UHFFFAOYSA-N 0 3 433.600 3.483 50 0 IGAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019962130 556955566 /nfs/dbraw/zinc/95/55/66/556955566.db2.gz WTBFPXDDCZTQSX-IBGZPJMESA-N 0 3 441.447 3.277 50 0 IGAAHN O=C(CCC1CCCCC1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000020166507 556993745 /nfs/dbraw/zinc/99/37/45/556993745.db2.gz AQZZGDPFMPFGPV-JWQCQUIFSA-N 0 3 427.633 3.169 50 0 IGAAHN C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCc2cscn2)C[C@H](C)O1 ZINC000020254990 557003749 /nfs/dbraw/zinc/00/37/49/557003749.db2.gz PTPCUKDICVDLQX-OKILXGFUSA-N 0 3 433.965 3.026 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)CCCn2cnc3c(C)cccc3c2=O)N2CCCC2)cc1 ZINC000010745172 557023673 /nfs/dbraw/zinc/02/36/73/557023673.db2.gz UEJBMWJEZDJOOK-HSZRJFAPSA-N 0 3 448.567 3.447 50 0 IGAAHN Cc1ccsc1CN1CCc2nnc([C@@H](C)NC(=O)c3cc(F)ccc3F)n2CC1 ZINC000023129317 557066247 /nfs/dbraw/zinc/06/62/47/557066247.db2.gz AQTBCYOBSYJUNM-CQSZACIVSA-N 0 3 431.512 3.476 50 0 IGAAHN CSc1nc2nc(C)c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(C)n2n1 ZINC000017363023 557074080 /nfs/dbraw/zinc/07/40/80/557074080.db2.gz CPKLLFXBSBPDPI-UHFFFAOYSA-N 0 3 438.601 3.176 50 0 IGAAHN CCN1CCN(C2CCN(C(=O)c3ccc(-c4cccs4)nc3N(C)C)CC2)CC1 ZINC000023340049 557085935 /nfs/dbraw/zinc/08/59/35/557085935.db2.gz KBBRSRGSABTGEO-UHFFFAOYSA-N 0 3 427.618 3.118 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)N2CCCC2)cc1 ZINC000014069131 557297327 /nfs/dbraw/zinc/29/73/27/557297327.db2.gz QGZXKHFMGBVPQD-PGRDOPGGSA-N 0 3 437.540 3.153 50 0 IGAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)ccc1O ZINC000102723318 557369199 /nfs/dbraw/zinc/36/91/99/557369199.db2.gz ZLIJLRZZUHFMRB-DNVJHFABSA-N 0 3 446.459 3.461 50 0 IGAAHN COCCN(C[C@H]1CN(Cc2cc(C)c(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000105050424 557473991 /nfs/dbraw/zinc/47/39/91/557473991.db2.gz RTXOTWVFTCYHRU-NFBKMPQASA-N 0 3 432.536 3.373 50 0 IGAAHN COc1ccccc1-c1cc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)no1 ZINC000109027673 557545305 /nfs/dbraw/zinc/54/53/05/557545305.db2.gz YHQRIDQFGJERDJ-JOCHJYFZSA-N 0 3 434.540 3.459 50 0 IGAAHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000225758898 557773720 /nfs/dbraw/zinc/77/37/20/557773720.db2.gz MEPXIYVHUFAFNY-QFIPXVFZSA-N 0 3 441.597 3.158 50 0 IGAAHN O=C(C(=O)N(C[C@@H]1CCCO1)CC1CCN(C2Cc3ccccc3C2)CC1)c1ccco1 ZINC000012429539 557838852 /nfs/dbraw/zinc/83/88/52/557838852.db2.gz PSXINAGKSNTSOR-QHCPKHFHSA-N 0 3 436.552 3.349 50 0 IGAAHN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC1CCN(Cc2ccc(C)cc2)CC1 ZINC000009301058 562969109 /nfs/dbraw/zinc/96/91/09/562969109.db2.gz UNKXALCNEQSFTH-UHFFFAOYSA-N 0 3 447.601 3.307 50 0 IGAAHN CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1 ZINC000012982424 562983787 /nfs/dbraw/zinc/98/37/87/562983787.db2.gz UOCWGYYPUUKRJD-HSZRJFAPSA-N 0 3 437.565 3.198 50 0 IGAAHN CN1CCC(C(=O)Nc2ccc3[nH]ccc3c2)(N2C(=O)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000575442981 568868081 /nfs/dbraw/zinc/86/80/81/568868081.db2.gz MPTSESKQVWQYNH-FQEVSTJZSA-N 0 3 446.507 3.273 50 0 IGAAHN CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1csc2ccccc21 ZINC000575620778 568883037 /nfs/dbraw/zinc/88/30/37/568883037.db2.gz MAIFVPKYEMUOKA-IBGZPJMESA-N 0 3 431.583 3.184 50 0 IGAAHN CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000064164316 568893466 /nfs/dbraw/zinc/89/34/66/568893466.db2.gz QMRDWBOJBXXNFN-AOUJKTHWSA-N 0 3 433.508 3.442 50 0 IGAAHN CC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000169680292 568990797 /nfs/dbraw/zinc/99/07/97/568990797.db2.gz JPBSWCCJEULJAV-MHECFPHRSA-N 0 3 425.598 3.473 50 0 IGAAHN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](C)O)CC2CC2)c1 ZINC000036309318 568995863 /nfs/dbraw/zinc/99/58/63/568995863.db2.gz IYKFUFJACGNUFC-VGSWGCGISA-N 0 3 444.597 3.354 50 0 IGAAHN O=C(Nc1cnc(N2CCNCC2)c(C(=O)N2CCCCCC2)c1)c1cccc(Cl)c1 ZINC000065025434 569090650 /nfs/dbraw/zinc/09/06/50/569090650.db2.gz BNDNDTGSDCNWHL-UHFFFAOYSA-N 0 3 441.963 3.413 50 0 IGAAHN CCc1nc2cc(N3CCC(C(=O)NCCN4CCCCCC4)CC3)cnc2nc1CC ZINC000065227530 569118131 /nfs/dbraw/zinc/11/81/31/569118131.db2.gz AKQQHLAIHMLIBD-UHFFFAOYSA-N 0 3 438.620 3.358 50 0 IGAAHN O=C(c1cccnc1N1CCN[C@@H](c2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065255825 569122957 /nfs/dbraw/zinc/12/29/57/569122957.db2.gz WOYPHZUJOOOWCM-XMMPIXPASA-N 0 3 445.542 3.334 50 0 IGAAHN CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000065273017 569129198 /nfs/dbraw/zinc/12/91/98/569129198.db2.gz MJGHDUQPIPPBRU-GOSISDBHSA-N 0 3 425.598 3.336 50 0 IGAAHN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)NCCN3CCCCC3)sc12 ZINC000065293992 569131196 /nfs/dbraw/zinc/13/11/96/569131196.db2.gz XKUNBYDMSPLBFW-UHFFFAOYSA-N 0 3 426.590 3.137 50 0 IGAAHN COC[C@H](c1cccc(C(F)(F)F)c1)N(C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000170656151 569192511 /nfs/dbraw/zinc/19/25/11/569192511.db2.gz CBLQYQXEVLGGOG-CYBMUJFWSA-N 0 3 429.361 3.103 50 0 IGAAHN CN(C)CCOc1ccccc1C(=O)N1C[C@H]2CCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC000253417640 569266413 /nfs/dbraw/zinc/26/64/13/569266413.db2.gz OOTOCVLWKZFMGV-HOYKHHGWSA-N 0 3 431.577 3.394 50 0 IGAAHN Cc1cc(C)n(CCCNc2nc(NCCCn3nc(C)cc3C)nc(NC3CC3)n2)n1 ZINC000095446207 569367289 /nfs/dbraw/zinc/36/72/89/569367289.db2.gz UGTYQTNNTALWIZ-UHFFFAOYSA-N 0 3 438.584 3.077 50 0 IGAAHN CN(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1 ZINC000029954465 569439813 /nfs/dbraw/zinc/43/98/13/569439813.db2.gz BJCNFIQCXQSZOV-QFBILLFUSA-N 0 3 430.346 3.221 50 0 IGAAHN CCOc1ccc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)cc1Cl ZINC000670462201 569461089 /nfs/dbraw/zinc/46/10/89/569461089.db2.gz UAUMZPSFAQCGDG-NBTXJNEHSA-N 0 3 425.960 3.036 50 0 IGAAHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000008430931 569464272 /nfs/dbraw/zinc/46/42/72/569464272.db2.gz KRLPTORVOCZNTE-UHFFFAOYSA-N 0 3 429.586 3.161 50 0 IGAAHN CCCCCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C(C)C ZINC000040072631 569485976 /nfs/dbraw/zinc/48/59/76/569485976.db2.gz KOLANBCBLPKENW-UHFFFAOYSA-N 0 3 436.043 3.135 50 0 IGAAHN CCN1CCC[C@@H]1CNC(=O)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000008876202 569481042 /nfs/dbraw/zinc/48/10/42/569481042.db2.gz XRIBIFLLYHAMCH-FAFZWHIHSA-N 0 3 442.025 3.025 50 0 IGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1CN(C)C ZINC000069378848 569503584 /nfs/dbraw/zinc/50/35/84/569503584.db2.gz OFBPTXQVRFJXDF-FQEVSTJZSA-N 0 3 429.948 3.331 50 0 IGAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nc1=O)CCC2 ZINC000009745292 569565625 /nfs/dbraw/zinc/56/56/25/569565625.db2.gz NTHBMMIEMSSMRE-UHFFFAOYSA-N 0 3 440.491 3.043 50 0 IGAAHN Cc1nn(C)c2nc(C)cc(C(=O)Nc3nc4ccccc4n3CCN3CCCCC3)c12 ZINC000036616994 569584992 /nfs/dbraw/zinc/58/49/92/569584992.db2.gz LNRYTLOBCBCOTG-UHFFFAOYSA-N 0 3 431.544 3.673 50 0 IGAAHN CCCC[C@H]1CN(CCC(=O)NCc2nc3ccccc3c(=O)[nH]2)Cc2ccccc2O1 ZINC000012244945 521250907 /nfs/dbraw/zinc/25/09/07/521250907.db2.gz ABIKKFOJLGOHTO-IBGZPJMESA-N 0 3 434.540 3.383 50 0 IGAAHN CCOC(=O)c1cccc(OC[C@@H](O)CNC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000022809425 521547989 /nfs/dbraw/zinc/54/79/89/521547989.db2.gz UVKAVXQXORDLJD-URXFXBBRSA-N 0 3 442.556 3.038 50 0 IGAAHN CN(C)[C@H](CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000012678524 522070337 /nfs/dbraw/zinc/07/03/37/522070337.db2.gz UHIBURWNOXWVNJ-KEWFZMHCSA-N 0 3 441.597 3.118 50 0 IGAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@H](C)Cc2ccc(C)cn2)CC1 ZINC000012307581 523925616 /nfs/dbraw/zinc/92/56/16/523925616.db2.gz OTHVXEXIAAMAPV-LJQANCHMSA-N 0 3 441.572 3.249 50 0 IGAAHN COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c(C)c1C ZINC000020455166 524039858 /nfs/dbraw/zinc/03/98/58/524039858.db2.gz CFAZGBDMBIJCOF-UHFFFAOYSA-N 0 3 439.604 3.201 50 0 IGAAHN CSCCCN1CCN(c2cccc3c2C(=O)N([C@@H](C)c2nccs2)C3=O)CC1 ZINC000012152560 525449798 /nfs/dbraw/zinc/44/97/98/525449798.db2.gz HKZRWUICYOCAGW-HNNXBMFYSA-N 0 3 430.599 3.375 50 0 IGAAHN Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 ZINC000071889578 555725766 /nfs/dbraw/zinc/72/57/66/555725766.db2.gz YCBZTKRUIFIAKL-UHFFFAOYSA-N 0 3 429.446 3.426 50 0 IGAAHN COCCN(C[C@@H]1CN(Cc2cc(C)c(C)o2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000034740533 555883686 /nfs/dbraw/zinc/88/36/86/555883686.db2.gz RTXOTWVFTCYHRU-REWPJTCUSA-N 0 3 432.536 3.373 50 0 IGAAHN CCc1ccc(CN(C)Cc2cc(OC)ccc2OC[C@@H](O)CN2CCC(O)CC2)cc1 ZINC000011705658 556347621 /nfs/dbraw/zinc/34/76/21/556347621.db2.gz HTBNOURCSUTMEA-DEOSSOPVSA-N 0 3 442.600 3.086 50 0 IGAAHN COc1ccc(CCN(C)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC ZINC000012054807 556393890 /nfs/dbraw/zinc/39/38/90/556393890.db2.gz GHQNIXCSBHSDCU-HXUWFJFHSA-N 0 3 432.586 3.340 50 0 IGAAHN C/C=C(\C)CN1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CCCOC ZINC000014539264 556424957 /nfs/dbraw/zinc/42/49/57/556424957.db2.gz LMQWKKIBWUXDON-PTXOJBNSSA-N 0 3 429.561 3.297 50 0 IGAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)N(C)C)C2)cc1OC ZINC000014731912 556436823 /nfs/dbraw/zinc/43/68/23/556436823.db2.gz PZQCCMWSCSIWAP-MSOLQXFVSA-N 0 3 443.519 3.008 50 0 IGAAHN COc1ccc(CN(C)Cc2ccon2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000014981347 556470868 /nfs/dbraw/zinc/47/08/68/556470868.db2.gz ACZAKFCSSSVARA-JOCHJYFZSA-N 0 3 425.529 3.187 50 0 IGAAHN CN(C)Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000032906898 556554634 /nfs/dbraw/zinc/55/46/34/556554634.db2.gz WTMUDAAUNQJGTQ-KRWDZBQOSA-N 0 3 430.346 3.180 50 0 IGAAHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015856094 556557513 /nfs/dbraw/zinc/55/75/13/556557513.db2.gz OWDBMNUBOQKUNX-UHFFFAOYSA-N 0 3 439.531 3.111 50 0 IGAAHN COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1Cl ZINC000033326783 556561747 /nfs/dbraw/zinc/56/17/47/556561747.db2.gz SXYMESOFALGFPT-UHFFFAOYSA-N 0 3 430.940 3.401 50 0 IGAAHN CCN1CCC[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)C1 ZINC000032962588 556582641 /nfs/dbraw/zinc/58/26/41/556582641.db2.gz SKYVQRGSKJSHFV-HXUWFJFHSA-N 0 3 428.554 3.469 50 0 IGAAHN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000072312059 556597299 /nfs/dbraw/zinc/59/72/99/556597299.db2.gz XMVCXQDFORKIOO-MRXNPFEDSA-N 0 3 441.333 3.276 50 0 IGAAHN Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCN3CCCC[C@@H]3C)s2)cc1 ZINC000032987101 556606929 /nfs/dbraw/zinc/60/69/29/556606929.db2.gz IXEZWANZNZAMIN-INIZCTEOSA-N 0 3 447.630 3.323 50 0 IGAAHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2)c(C)c1 ZINC000016599210 556616835 /nfs/dbraw/zinc/61/68/35/556616835.db2.gz LIVOGJLJRWCVHF-QFIPXVFZSA-N 0 3 443.613 3.123 50 0 IGAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(C)cc3C)nc1=O)CCC2 ZINC000005254213 556747274 /nfs/dbraw/zinc/74/72/74/556747274.db2.gz BWOMEBLUXSHZHF-UHFFFAOYSA-N 0 3 428.602 3.421 50 0 IGAAHN Cc1cc(C(=O)CN(C)C2CCN(C)CC2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000003293534 556810673 /nfs/dbraw/zinc/81/06/73/556810673.db2.gz UJXMREFFAKQWQF-UHFFFAOYSA-N 0 3 449.599 3.101 50 0 IGAAHN CCN1CCN(CCNC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)CC1 ZINC000033261228 556898866 /nfs/dbraw/zinc/89/88/66/556898866.db2.gz XGICJLDJTTWQIJ-UHFFFAOYSA-N 0 3 448.546 3.394 50 0 IGAAHN CCCCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000019772012 556913167 /nfs/dbraw/zinc/91/31/67/556913167.db2.gz XBTVXENGPKBWCQ-FQEVSTJZSA-N 0 3 426.513 3.347 50 0 IGAAHN CC(=O)Nc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000019817537 556920233 /nfs/dbraw/zinc/92/02/33/556920233.db2.gz CQJSBZLDDNZZPK-RXVVDRJESA-N 0 3 447.495 3.090 50 0 IGAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019817551 556920239 /nfs/dbraw/zinc/92/02/39/556920239.db2.gz RBEPVNZTLUIZDN-IFXJQAMLSA-N 0 3 426.423 3.410 50 0 IGAAHN O=C(c1cccc(F)c1)N1CCC(N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000020353585 557009471 /nfs/dbraw/zinc/00/94/71/557009471.db2.gz WFAPQLTWVYPJLV-IBGZPJMESA-N 0 3 429.879 3.005 50 0 IGAAHN COc1cc(CNCCN2CCOCC2)cc(Br)c1OCc1ccccc1 ZINC000022942547 557053855 /nfs/dbraw/zinc/05/38/55/557053855.db2.gz WYHXEYDIBFDYSN-UHFFFAOYSA-N 0 3 435.362 3.459 50 0 IGAAHN Cc1nc2c(c(=O)n1CC(=O)N[C@@H](C)CCc1ccccc1)CN(Cc1ccccc1)CC2 ZINC000049400803 557096387 /nfs/dbraw/zinc/09/63/87/557096387.db2.gz WLUAERNNQMKRGE-FQEVSTJZSA-N 0 3 444.579 3.248 50 0 IGAAHN CCN(CC)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000018019179 557219059 /nfs/dbraw/zinc/21/90/59/557219059.db2.gz OIBUUMZIGKFIBD-HXUWFJFHSA-N 0 3 449.642 3.348 50 0 IGAAHN CCN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(OC)c(OC)c1 ZINC000026913810 557251350 /nfs/dbraw/zinc/25/13/50/557251350.db2.gz PRMWZJTUJKSTTB-UHFFFAOYSA-N 0 3 429.536 3.404 50 0 IGAAHN COCCN(C[C@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247828696 557280838 /nfs/dbraw/zinc/28/08/38/557280838.db2.gz KIMGMHWFRLGICQ-OFNKIYASSA-N 0 3 432.511 3.302 50 0 IGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)c(OC)c1 ZINC000102706345 557366443 /nfs/dbraw/zinc/36/64/43/557366443.db2.gz WVDKNKYAZHNKRD-YTFSRNRJSA-N 0 3 446.459 3.461 50 0 IGAAHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000229978935 557834474 /nfs/dbraw/zinc/83/44/74/557834474.db2.gz HGEYGPHKXWJQND-BHDDXSALSA-N 0 3 444.443 3.230 50 0 IGAAHN CN(C)CCNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O ZINC000003358082 562934761 /nfs/dbraw/zinc/93/47/61/562934761.db2.gz TXMRXMDBHDZHHL-OUKQBFOZSA-N 0 3 428.492 3.337 50 0 IGAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3c[nH]nc3-c3cc(C)ccc3C)C2)CC1 ZINC000023374999 568613999 /nfs/dbraw/zinc/61/39/99/568613999.db2.gz RXEVPPXMXYWWJH-NRFANRHFSA-N 0 3 425.577 3.432 50 0 IGAAHN C[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1 ZINC000036309658 568996375 /nfs/dbraw/zinc/99/63/75/568996375.db2.gz QAZJRAZPCXOPMT-IERDGZPVSA-N 0 3 432.561 3.485 50 0 IGAAHN CCN1CCN(CCCNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)CC1 ZINC000065063024 569097733 /nfs/dbraw/zinc/09/77/33/569097733.db2.gz QTCQIZQLQVBKBD-UHFFFAOYSA-N 0 3 425.558 3.223 50 0 IGAAHN Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCN3CCCC3)CC2)cc1 ZINC000065102568 569106140 /nfs/dbraw/zinc/10/61/40/569106140.db2.gz NSPNYPYZINFRHB-UHFFFAOYSA-N 0 3 425.602 3.365 50 0 IGAAHN CCOc1ccc(NC(=O)Cn2c(CC)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 ZINC000065153493 569111905 /nfs/dbraw/zinc/11/19/05/569111905.db2.gz WQKPDGCCASEZKB-UHFFFAOYSA-N 0 3 446.551 3.401 50 0 IGAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1cc(F)ccc1F)CN(Cc1ccccc1)CC2 ZINC000065153561 569112135 /nfs/dbraw/zinc/11/21/35/569112135.db2.gz CKSBAYPBJCVXAZ-UHFFFAOYSA-N 0 3 438.478 3.281 50 0 IGAAHN COc1ccc(CNC(=O)c2ccc(N3CCN[C@@H](c4ccccc4)C3)nc2)c(OC)c1 ZINC000065256099 569123244 /nfs/dbraw/zinc/12/32/44/569123244.db2.gz BFLOGNYFKVVLLU-JOCHJYFZSA-N 0 3 432.524 3.180 50 0 IGAAHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCc1ccccc1C ZINC000089689359 569161330 /nfs/dbraw/zinc/16/13/30/569161330.db2.gz HKCXBSPSJVYGCP-QFIPXVFZSA-N 0 3 431.540 3.202 50 0 IGAAHN Cc1cc(=O)c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC000195529522 569204240 /nfs/dbraw/zinc/20/42/40/569204240.db2.gz ATIOQVYOHRCPKD-HUUCEWRRSA-N 0 3 436.478 3.410 50 0 IGAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)NCc4ccccc4)CC3)C2)CC1 ZINC000581819786 569211555 /nfs/dbraw/zinc/21/15/55/569211555.db2.gz KUYAXXCHNQHYLN-HSZRJFAPSA-N 0 3 428.621 3.183 50 0 IGAAHN COC(=O)COc1ccc(C(=O)N(C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)cc1OC ZINC000328591635 569317104 /nfs/dbraw/zinc/31/71/04/569317104.db2.gz CFHRJZAISZQVML-KRWDZBQOSA-N 0 3 446.569 3.211 50 0 IGAAHN Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000079486994 569331195 /nfs/dbraw/zinc/33/11/95/569331195.db2.gz QHNZCWDACSYOPW-UHFFFAOYSA-N 0 3 430.980 3.052 50 0 IGAAHN COC(=O)C1CCN(CCCSc2cc(C(=O)NC3CC3)c3ccccc3n2)CC1 ZINC000095468103 569371215 /nfs/dbraw/zinc/37/12/15/569371215.db2.gz PSQUPWWYBOTVJM-UHFFFAOYSA-N 0 3 427.570 3.494 50 0 IGAAHN O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000095480120 569373838 /nfs/dbraw/zinc/37/38/38/569373838.db2.gz ZOCWTJDQGWXDMH-FQEVSTJZSA-N 0 3 438.963 3.281 50 0 IGAAHN COc1ccc(Cl)cc1NCCC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000096008248 569379581 /nfs/dbraw/zinc/37/95/81/569379581.db2.gz FLYXNXRBPQBQQR-FQEVSTJZSA-N 0 3 431.964 3.424 50 0 IGAAHN O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000096099729 569381833 /nfs/dbraw/zinc/38/18/33/569381833.db2.gz VDYFXLWJCDXQMD-QGZVFWFLSA-N 0 3 436.961 3.352 50 0 IGAAHN COc1ccccc1[C@@H]1NC(=O)N[C@](O)(c2ccc(Cl)cc2)C1C(=O)C(F)(F)F ZINC000226602324 569425928 /nfs/dbraw/zinc/42/59/28/569425928.db2.gz YXIJBKFKZFMZEW-VKJFTORMSA-N 0 3 428.794 3.295 50 0 IGAAHN COc1ccccc1-c1cc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)no1 ZINC000040087422 569486716 /nfs/dbraw/zinc/48/67/16/569486716.db2.gz YHQRIDQFGJERDJ-QFIPXVFZSA-N 0 3 434.540 3.459 50 0 IGAAHN O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)NCCCN(Cc1ccco1)C1CCCC1 ZINC000009211337 569511730 /nfs/dbraw/zinc/51/17/30/569511730.db2.gz LGWQJRYQSAGKFD-UHFFFAOYSA-N 0 3 447.539 3.422 50 0 IGAAHN Cc1cc(C(=O)NCc2ccccc2CN2CCCCC2)cc(S(=O)(=O)N(C)C)c1C ZINC000010281987 569580495 /nfs/dbraw/zinc/58/04/95/569580495.db2.gz BQUXVZZKHVYMJI-UHFFFAOYSA-N 0 3 443.613 3.470 50 0 IGAAHN CCCCN(C)CCNC(=O)CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21 ZINC000003057123 132261173 /nfs/dbraw/zinc/26/11/73/132261173.db2.gz HRIOMXSWGYOMCF-CJLVFECKSA-N 0 3 425.504 3.440 50 0 IGAAHN COc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1OC ZINC000006549538 132277763 /nfs/dbraw/zinc/27/77/63/132277763.db2.gz JGVVWQOHOMPFSV-UHFFFAOYSA-N 0 3 441.547 3.404 50 0 IGAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccco3)[C@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000011582383 132338097 /nfs/dbraw/zinc/33/80/97/132338097.db2.gz MRJZHFXLXKCAMK-XPWALMASSA-N 0 3 445.475 3.167 50 0 IGAAHN CC(=O)Nc1ccc2nc(N3CCC(C(=O)NCCN4CCCCC4)CC3)cc(C)c2c1 ZINC000021704290 519735078 /nfs/dbraw/zinc/73/50/78/519735078.db2.gz YTXUSHAAMXRLBE-UHFFFAOYSA-N 0 3 437.588 3.320 50 0 IGAAHN CC1(C)Cc2c(C(N)=O)c(NC(=O)c3cc4ccccc4oc3=O)sc2C(C)(C)N1 ZINC000012378177 520575536 /nfs/dbraw/zinc/57/55/36/520575536.db2.gz NEYGGFWPPWCEEN-UHFFFAOYSA-N 0 3 425.510 3.365 50 0 IGAAHN CCOc1cc(CNCCCSc2nnnn2C)cc(Br)c1OC(C)C ZINC000040744646 520713803 /nfs/dbraw/zinc/71/38/03/520713803.db2.gz CLEKIJIWGXBYJJ-UHFFFAOYSA-N 0 3 444.399 3.431 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)cc2C)CC1 ZINC000012521712 521698956 /nfs/dbraw/zinc/69/89/56/521698956.db2.gz FOPKMTVWEFVKDB-IBGZPJMESA-N 0 3 436.556 3.137 50 0 IGAAHN COc1cc(CNC[C@@H](C)O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040743979 522457095 /nfs/dbraw/zinc/45/70/95/522457095.db2.gz PMVATBLOXOCNGR-CQSZACIVSA-N 0 3 437.334 3.254 50 0 IGAAHN COc1cc(CNC[C@H](C)O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040743980 522459089 /nfs/dbraw/zinc/45/90/89/522459089.db2.gz PMVATBLOXOCNGR-AWEZNQCLSA-N 0 3 437.334 3.254 50 0 IGAAHN COc1ccc(-c2nc(NCCN(C)C)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000035929246 523222444 /nfs/dbraw/zinc/22/24/44/523222444.db2.gz ROWIOJROSIJWMX-UHFFFAOYSA-N 0 3 433.516 3.055 50 0 IGAAHN COc1cccc([C@@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)N2CCCC2)c1 ZINC000012738948 524095392 /nfs/dbraw/zinc/09/53/92/524095392.db2.gz OUEDPRPNVMBXIS-JOCHJYFZSA-N 0 3 435.524 3.025 50 0 IGAAHN C[C@@H](C1CCN(C(=O)c2cn(Cc3cccc4ccccc43)nn2)CC1)N1CCOCC1 ZINC000020455818 524336730 /nfs/dbraw/zinc/33/67/30/524336730.db2.gz IDUSFYFVFVZLON-IBGZPJMESA-N 0 3 433.556 3.053 50 0 IGAAHN C[C@@H](CCn1cccn1)NCc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21 ZINC000012313787 524550682 /nfs/dbraw/zinc/55/06/82/524550682.db2.gz SMYRWXBUZVPMHD-SFHVURJKSA-N 0 3 436.585 3.475 50 0 IGAAHN Cc1ccc(C(=O)N2CCC(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)cn1 ZINC000012596973 526081819 /nfs/dbraw/zinc/08/18/19/526081819.db2.gz KUAATFDHXUSMAH-DEOSSOPVSA-N 0 3 434.584 3.413 50 0 IGAAHN Cc1cc(C(=O)N2CCC(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)nc(C)n1 ZINC000012471420 526238832 /nfs/dbraw/zinc/23/88/32/526238832.db2.gz MMLQNRDVDBRUBF-QHCPKHFHSA-N 0 3 449.599 3.117 50 0 IGAAHN O=C(c1cc2ncc(Br)cn2n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012428337 526644934 /nfs/dbraw/zinc/64/49/34/526644934.db2.gz YGGXLBAPXBFADF-UHFFFAOYSA-N 0 3 444.377 3.218 50 0 IGAAHN OCCOc1ccc(CN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)cc1 ZINC000012197471 527557866 /nfs/dbraw/zinc/55/78/66/527557866.db2.gz BGYXIDSLXSUJKM-NRFANRHFSA-N 0 3 442.629 3.415 50 0 IGAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000022937630 527666996 /nfs/dbraw/zinc/66/69/96/527666996.db2.gz SGPVMAOJACYMHA-UHFFFAOYSA-N 0 3 429.568 3.113 50 0 IGAAHN COc1ccc(N(C[C@H](O)CN2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000644845 555520122 /nfs/dbraw/zinc/52/01/22/555520122.db2.gz NBXVKVYHBHZJPB-OAQYLSRUSA-N 0 3 432.586 3.292 50 0 IGAAHN Cc1cc(CNC(=O)c2nnn(-c3cccc4c3CCN(Cc3ccccc3)C4)c2C)on1 ZINC000071889584 555725707 /nfs/dbraw/zinc/72/57/07/555725707.db2.gz HTXDTVBUYBUVEJ-UHFFFAOYSA-N 0 3 442.523 3.360 50 0 IGAAHN COc1cccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1OC ZINC000009849661 556313453 /nfs/dbraw/zinc/31/34/53/556313453.db2.gz FLCVRRSCGVIILN-UHFFFAOYSA-N 0 3 437.584 3.260 50 0 IGAAHN C/C(=C\c1ccccc1)CN1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000011882196 556373692 /nfs/dbraw/zinc/37/36/92/556373692.db2.gz FJGYBDOILMIRHI-NUTRWHQKSA-N 0 3 445.567 3.496 50 0 IGAAHN COCCNC(=O)c1ccc(OC2CCN([C@H](C)Cn3nc(C)cc3C)CC2)c(Cl)c1 ZINC000012051928 556392609 /nfs/dbraw/zinc/39/26/09/556392609.db2.gz QZGCTLFZWSPYJV-GOSISDBHSA-N 0 3 448.995 3.461 50 0 IGAAHN COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000014533058 556421572 /nfs/dbraw/zinc/42/15/72/556421572.db2.gz SQIXUQCQRUTZBU-UHFFFAOYSA-N 0 3 449.551 3.067 50 0 IGAAHN COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cccs1)CC2 ZINC000014534851 556422781 /nfs/dbraw/zinc/42/27/81/556422781.db2.gz RFKJJGPQUBNUJM-UHFFFAOYSA-N 0 3 443.569 3.202 50 0 IGAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000014747252 556441832 /nfs/dbraw/zinc/44/18/32/556441832.db2.gz LRMQSZNLOZOATH-UHFFFAOYSA-N 0 3 447.539 3.008 50 0 IGAAHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC000072272942 556445933 /nfs/dbraw/zinc/44/59/33/556445933.db2.gz ISFVIRXBOPZVPM-CTNGQTDRSA-N 0 3 436.556 3.099 50 0 IGAAHN CC(C)Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 ZINC000014984363 556471893 /nfs/dbraw/zinc/47/18/93/556471893.db2.gz LIVJZXGWNHYUCS-IBGZPJMESA-N 0 3 439.604 3.139 50 0 IGAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN(C)Cc1ccncc1 ZINC000015067226 556493419 /nfs/dbraw/zinc/49/34/19/556493419.db2.gz KWCFBJACHCJNDP-DEOSSOPVSA-N 0 3 438.616 3.325 50 0 IGAAHN CCN1CCN(CCNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)CC1 ZINC000022937408 556506129 /nfs/dbraw/zinc/50/61/29/556506129.db2.gz LMIIODLKHIBKNY-UHFFFAOYSA-N 0 3 449.599 3.429 50 0 IGAAHN O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1)NCc1ccco1 ZINC000009473069 556552154 /nfs/dbraw/zinc/55/21/54/556552154.db2.gz YFUWNWFMZBDQKE-UHFFFAOYSA-N 0 3 440.569 3.274 50 0 IGAAHN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](C(C)C)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016010334 556573961 /nfs/dbraw/zinc/57/39/61/556573961.db2.gz JYDJTIILAZQOPN-UVPKRVSESA-N 0 3 435.499 3.019 50 0 IGAAHN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000016261390 556594927 /nfs/dbraw/zinc/59/49/27/556594927.db2.gz YWDFVJUKUVYHBZ-GOSISDBHSA-N 0 3 436.581 3.118 50 0 IGAAHN Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNCCCN2CCOCC2)cc1 ZINC000040720690 556646774 /nfs/dbraw/zinc/64/67/74/556646774.db2.gz KJVOIQZNTZZWPE-UHFFFAOYSA-N 0 3 431.964 3.478 50 0 IGAAHN COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040720885 556647176 /nfs/dbraw/zinc/64/71/76/556647176.db2.gz FWMPNVKQMNMGCM-UHFFFAOYSA-N 0 3 447.963 3.096 50 0 IGAAHN CC(C)Oc1ccc(Br)cc1CNCCc1ccc(S(N)(=O)=O)cc1 ZINC000040730178 556649021 /nfs/dbraw/zinc/64/90/21/556649021.db2.gz HZFORGYFOJDNAQ-UHFFFAOYSA-N 0 3 427.364 3.216 50 0 IGAAHN COCCNC(=O)c1ccc(OC2CCN(C3CSCCSC3)CC2)c(Cl)c1 ZINC000055198783 556737665 /nfs/dbraw/zinc/73/76/65/556737665.db2.gz RUFMTXZEXIUSRM-UHFFFAOYSA-N 0 3 445.050 3.408 50 0 IGAAHN COc1cccc([C@H](CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)N2CCCC2)c1 ZINC000057997474 556752201 /nfs/dbraw/zinc/75/22/01/556752201.db2.gz KYOMXTSPJICSMA-QHCPKHFHSA-N 0 3 447.539 3.259 50 0 IGAAHN COc1cc(C)c(S(=O)(=O)N[C@H](CN(C)C2CCN(C)CC2)c2ccccc2)cc1C ZINC000058440061 556788692 /nfs/dbraw/zinc/78/86/92/556788692.db2.gz UPGKNICRPUAEAM-JOCHJYFZSA-N 0 3 445.629 3.358 50 0 IGAAHN OCCn1ncc2c1CCC[C@H]2NCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000062580276 556835932 /nfs/dbraw/zinc/83/59/32/556835932.db2.gz DHXNWRGGHDYEQW-HSZRJFAPSA-N 0 3 428.540 3.349 50 0 IGAAHN CCN(Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000067338838 556842535 /nfs/dbraw/zinc/84/25/35/556842535.db2.gz OYNQBJBXPUTRJQ-UHFFFAOYSA-N 0 3 429.586 3.030 50 0 IGAAHN CCOc1cc(CNCCN(C)C)c(Cl)cc1OCC(=O)NCCc1ccccc1 ZINC000019922745 556943961 /nfs/dbraw/zinc/94/39/61/556943961.db2.gz XMPCJPNGSCUWRL-UHFFFAOYSA-N 0 3 433.980 3.128 50 0 IGAAHN Cc1cccc(CN2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1 ZINC000020100433 556980012 /nfs/dbraw/zinc/98/00/12/556980012.db2.gz LZXOKAXSPHZKEQ-UHFFFAOYSA-N 0 3 435.568 3.280 50 0 IGAAHN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(Cc2ccccc2)CC1 ZINC000020188639 556995914 /nfs/dbraw/zinc/99/59/14/556995914.db2.gz BFIPUXHHEMQPTI-UHFFFAOYSA-N 0 3 434.540 3.491 50 0 IGAAHN CCN1CCN(CCCNS(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)CC1 ZINC000033290107 557072255 /nfs/dbraw/zinc/07/22/55/557072255.db2.gz OMNWXZIVTCQJMT-UHFFFAOYSA-N 0 3 442.676 3.103 50 0 IGAAHN CCS(=O)(=O)c1ncc(CN2CCC(N3CCCCC3)CC2)n1CCc1ccccc1 ZINC000023338348 557085165 /nfs/dbraw/zinc/08/51/65/557085165.db2.gz QQSLYCZJNRMUER-UHFFFAOYSA-N 0 3 444.645 3.370 50 0 IGAAHN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000025421472 557209065 /nfs/dbraw/zinc/20/90/65/557209065.db2.gz JAXWDNJORATTIN-QFIPXVFZSA-N 0 3 431.602 3.069 50 0 IGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000169772527 557212120 /nfs/dbraw/zinc/21/21/20/557212120.db2.gz CZQRTKLPZPSVDZ-UHFFFAOYSA-N 0 3 447.505 3.493 50 0 IGAAHN CC1CCN([C@@H](CNC(=O)CCN2C(=O)COc3ccccc32)c2cccs2)CC1 ZINC000027574095 557266065 /nfs/dbraw/zinc/26/60/65/557266065.db2.gz OZZLKCWLDBNXMV-IBGZPJMESA-N 0 3 427.570 3.453 50 0 IGAAHN COCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2 ZINC000014532718 557339732 /nfs/dbraw/zinc/33/97/32/557339732.db2.gz FARGMQUSQKVAQY-UHFFFAOYSA-N 0 3 426.561 3.080 50 0 IGAAHN O=S(=O)([N-]CC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Br)s1 ZINC000225574230 557394760 /nfs/dbraw/zinc/39/47/60/557394760.db2.gz GDRSQAVXHQUCCK-GFCCVEGCSA-N 0 3 425.439 3.006 50 0 IGAAHN COc1ccc([C@@H](CNC(=O)Cc2cc(OC)c(OC)c(OC)c2)N2CCCC2)cc1 ZINC000004144190 562942355 /nfs/dbraw/zinc/94/23/55/562942355.db2.gz ZCFOEJZBMVWSOE-HXUWFJFHSA-N 0 3 428.529 3.217 50 0 IGAAHN Cc1ccc(CN2CCSc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1 ZINC000020355099 563024491 /nfs/dbraw/zinc/02/44/91/563024491.db2.gz QFGJRYXCULDYHZ-UHFFFAOYSA-N 0 3 438.641 3.475 50 0 IGAAHN CCn1cc(C(=O)N2CCN(C3CCCCC3)CC2)c2cc(OC)c(OC)cc2c1=O ZINC000058011404 563143185 /nfs/dbraw/zinc/14/31/85/563143185.db2.gz WCADNCMCYOUSPD-UHFFFAOYSA-N 0 3 427.545 3.129 50 0 IGAAHN COc1ccc2c(c1)c(CN1CCC(C(=O)NCc3ccc4c(c3)OCO4)CC1)cn2C ZINC000064669654 568943367 /nfs/dbraw/zinc/94/33/67/568943367.db2.gz ANSJEMUHPAGBRA-UHFFFAOYSA-N 0 3 435.524 3.444 50 0 IGAAHN Cc1ccc(-c2nc3sc(N(C)CC(=O)NCCN(C)C)nn3c2NC(C)(C)C)cc1 ZINC000064703997 568944459 /nfs/dbraw/zinc/94/44/59/568944459.db2.gz OQTCHFLAYYQYLA-UHFFFAOYSA-N 0 3 443.621 3.091 50 0 IGAAHN CCCN(C)c1cc(COC)nc(SCc2cccc(C(=O)NCCN(C)C)c2)n1 ZINC000006774551 568983414 /nfs/dbraw/zinc/98/34/14/568983414.db2.gz AWRAGBDDQSDRQY-UHFFFAOYSA-N 0 3 431.606 3.053 50 0 IGAAHN CC1CCN(CCNC(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2=O)CC1 ZINC000065172568 569113312 /nfs/dbraw/zinc/11/33/12/569113312.db2.gz JTAJHNOGFLKUQK-UHFFFAOYSA-N 0 3 445.567 3.154 50 0 IGAAHN Cc1nc(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)nn1-c1ccccc1C(C)C ZINC000170601444 569142961 /nfs/dbraw/zinc/14/29/61/569142961.db2.gz SPJMWKZMHKXNQA-AREMUKBSSA-N 0 3 447.583 3.408 50 0 IGAAHN COc1ccc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=N)N2)cc1Cl ZINC000013579120 569156108 /nfs/dbraw/zinc/15/61/08/569156108.db2.gz VHFQMVAATJNDIR-SFHVURJKSA-N 0 3 442.932 3.474 50 0 IGAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002102536 569179894 /nfs/dbraw/zinc/17/98/94/569179894.db2.gz MWPMSHAXOHRZSG-CVGQSACLSA-N 0 3 439.596 3.341 50 0 IGAAHN COC[C@@H](c1cccc(C(F)(F)F)c1)N(C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000170656149 569192480 /nfs/dbraw/zinc/19/24/80/569192480.db2.gz CBLQYQXEVLGGOG-ZDUSSCGKSA-N 0 3 429.361 3.103 50 0 IGAAHN Cc1cs/c(=N\C(=O)c2cccc(Cl)c2)n1Cc1ccc(C(=O)NCCN(C)C)o1 ZINC000037436210 569196157 /nfs/dbraw/zinc/19/61/57/569196157.db2.gz FNAJUIDZGFZKRY-FLFQWRMESA-N 0 3 446.960 3.185 50 0 IGAAHN CN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1)C1CCN(C)CC1 ZINC000037525183 569198993 /nfs/dbraw/zinc/19/89/93/569198993.db2.gz JMHFCKVWPCSTKI-UHFFFAOYSA-N 0 3 434.584 3.252 50 0 IGAAHN CCCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000078876568 569319746 /nfs/dbraw/zinc/31/97/46/569319746.db2.gz PPXYOHXTTKWUHJ-YADHBBJMSA-N 0 3 445.604 3.007 50 0 IGAAHN CCCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000078876571 569319758 /nfs/dbraw/zinc/31/97/58/569319758.db2.gz PPXYOHXTTKWUHJ-VXKWHMMOSA-N 0 3 445.604 3.007 50 0 IGAAHN O=C(CN1CCCCC[C@@H]1C[C@H](O)c1ccccc1)NCCCN1CCCCCC1=O ZINC000079051974 569323391 /nfs/dbraw/zinc/32/33/91/569323391.db2.gz JYNYVMSFWXVRPG-PKTZIBPZSA-N 0 3 429.605 3.264 50 0 IGAAHN COc1ccccc1[C@@H]1NC(=O)N[C@@](O)(c2ccc(Cl)cc2)C1C(=O)C(F)(F)F ZINC000028224785 569409224 /nfs/dbraw/zinc/40/92/24/569409224.db2.gz YXIJBKFKZFMZEW-RLFYNMQTSA-N 0 3 428.794 3.295 50 0 IGAAHN CN(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000003311850 569445537 /nfs/dbraw/zinc/44/55/37/569445537.db2.gz PGTAKCUKHZQIGH-BJKOFHAPSA-N 0 3 441.531 3.313 50 0 IGAAHN CCOc1ccc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)cc1Cl ZINC000670462200 569461146 /nfs/dbraw/zinc/46/11/46/569461146.db2.gz UAUMZPSFAQCGDG-IGSLEHJCSA-N 0 3 425.960 3.036 50 0 IGAAHN COC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067285585 569466915 /nfs/dbraw/zinc/46/69/15/569466915.db2.gz PRQJMXPKNJQVDI-NRFANRHFSA-N 0 3 446.979 3.071 50 0 IGAAHN COC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000067285821 569466959 /nfs/dbraw/zinc/46/69/59/569466959.db2.gz ITKYFUIXPMUGEW-OAQYLSRUSA-N 0 3 446.979 3.071 50 0 IGAAHN CC(=O)Nc1ccc2c(CN3CCC(C(=O)NCc4ccccc4)CC3)cc(=O)oc2c1 ZINC000039992645 569482363 /nfs/dbraw/zinc/48/23/63/569482363.db2.gz PJAVTABJZLOPRO-UHFFFAOYSA-N 0 3 433.508 3.280 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCN(c4ccc(Cl)nn4)C3)cc2)CC1 ZINC000040130750 569490279 /nfs/dbraw/zinc/49/02/79/569490279.db2.gz DXBBMZOJKJOFIP-QGZVFWFLSA-N 0 3 428.968 3.127 50 0 IGAAHN Cc1ccc(NC(=O)CN2CCC(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000009069378 569500137 /nfs/dbraw/zinc/50/01/37/569500137.db2.gz YKNDFTIQBGZCCS-UHFFFAOYSA-N 0 3 448.611 3.426 50 0 IGAAHN CCN1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccco3)cc2)CC1 ZINC000009338718 569523688 /nfs/dbraw/zinc/52/36/88/569523688.db2.gz VJIZEQKARJRZBR-HSZRJFAPSA-N 0 3 446.551 3.401 50 0 IGAAHN Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)sc2nc3n(c(=O)c12)CCCC3 ZINC000009405728 569529990 /nfs/dbraw/zinc/52/99/90/569529990.db2.gz WRNPOZNWBWSEEL-UHFFFAOYSA-N 0 3 436.581 3.497 50 0 IGAAHN COc1ccccc1CNC(=O)C(=O)NC[C@H](c1cccc2ccccc21)N1CCCC1 ZINC000010334142 569581085 /nfs/dbraw/zinc/58/10/85/569581085.db2.gz JCVVSOQVMJHDPE-HSZRJFAPSA-N 0 3 431.536 3.418 50 0 IGAAHN Cc1cs/c(=N\C(=O)c2ccc(F)cc2)n1Cc1ccccc1C(=O)NCCN(C)C ZINC000040388336 569588138 /nfs/dbraw/zinc/58/81/38/569588138.db2.gz BGZGUYQMUQDUOS-RWEWTDSWSA-N 0 3 440.544 3.078 50 0 IGAAHN