smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccc(OC)c(OC)c3)[C@H](O)[C@H]2[C@@H]1C ZINC000030883827 291485426 /nfs/dbraw/zinc/48/54/26/291485426.db2.gz CQDKDTUUTFVPEQ-QWRZEVFGSA-N 0 0 490.641 2.911 40 0 biogenic,in-vitro JFABRN OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CCN(Cc2ccccn2)CC1 ZINC000225427226 291490798 /nfs/dbraw/zinc/49/07/98/291490798.db2.gz JVXQYVDBFLYSFB-UHFFFAOYSA-N 0 0 450.612 2.739 40 0 biogenic,in-vitro JFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)o1 ZINC000000886173 193948352 /nfs/dbraw/zinc/94/83/52/193948352.db2.gz HPKHKRREHBGTFO-CVDCTZTESA-N 0 0 496.568 2.951 40 0 JFABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2c1 ZINC000000924862 193976158 /nfs/dbraw/zinc/97/61/58/193976158.db2.gz ZRHNAXXVDXHFFX-IBGZPJMESA-N 0 0 470.547 2.978 40 0 JFABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1 ZINC000001262957 194080926 /nfs/dbraw/zinc/08/09/26/194080926.db2.gz FWFINIRHLZFKIR-UHFFFAOYSA-N 0 0 476.624 2.682 40 0 JFABRN O=C(NC1CCCCC1)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)CC1 ZINC000001324841 194085745 /nfs/dbraw/zinc/08/57/45/194085745.db2.gz GIUDNZOJHVNSHA-UHFFFAOYSA-N 0 0 453.522 2.924 40 0 JFABRN COc1cccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)CC2)c1 ZINC000001324848 194085907 /nfs/dbraw/zinc/08/59/07/194085907.db2.gz YTIFRBDDYAHDIU-UHFFFAOYSA-N 0 0 462.485 2.730 40 0 JFABRN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc3n(CC(=O)N4CCCC4)c4ccccc4n23)C1 ZINC000001325782 194086746 /nfs/dbraw/zinc/08/67/46/194086746.db2.gz VRPTWVZDSXXALA-IAGOWNOFSA-N 0 0 454.600 2.903 40 0 JFABRN O=C(c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)N1CCOCC1 ZINC000001335163 194093697 /nfs/dbraw/zinc/09/36/97/194093697.db2.gz CIQLZDSLHUSYJV-UHFFFAOYSA-N 0 0 454.552 2.604 40 0 JFABRN O=C(c1ccc(F)cc1F)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)C1 ZINC000001334882 194093786 /nfs/dbraw/zinc/09/37/86/194093786.db2.gz YGVFEVHOAYIXCD-OAHLLOKOSA-N 0 0 450.449 2.861 40 0 JFABRN CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001347185 194099365 /nfs/dbraw/zinc/09/93/65/194099365.db2.gz TZMWNXYGRPRCSK-LJQANCHMSA-N 0 0 468.583 2.827 40 0 JFABRN O=C(Nc1cccc2c1CCCC2)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001365378 194103735 /nfs/dbraw/zinc/10/37/35/194103735.db2.gz XWPGJFDQQVSHJV-SFHVURJKSA-N 0 0 466.567 2.581 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C[C@@H]1CCCO1)Cc1ccccc1)OCCO3 ZINC000001373811 194107855 /nfs/dbraw/zinc/10/78/55/194107855.db2.gz WRZXTXLVOVTGIK-NRFANRHFSA-N 0 0 488.548 2.667 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1Cc1ccccc1)C[C@H]1CCCO1)OCCO3 ZINC000001373847 194107926 /nfs/dbraw/zinc/10/79/26/194107926.db2.gz MERVIWHHDBLVSS-OAQYLSRUSA-N 0 0 488.548 2.515 40 0 JFABRN O=S(=O)(c1cccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)c1)N1CCCCC1 ZINC000001380572 194113064 /nfs/dbraw/zinc/11/30/64/194113064.db2.gz CPMQRJPTTLKPAK-UHFFFAOYSA-N 0 0 489.623 2.632 40 0 aggregator JFABRN Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cccnc4)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@]2(C)O4)no1 ZINC000001380924 194113079 /nfs/dbraw/zinc/11/30/79/194113079.db2.gz PQVKFZZNNTYWGG-OZAVXPJBSA-N 0 0 491.548 2.511 40 0 JFABRN O=S(=O)(NC1CCCC1)c1cccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)c1 ZINC000001380573 194113207 /nfs/dbraw/zinc/11/32/07/194113207.db2.gz OJYISAUOTBLSLB-UHFFFAOYSA-N 0 0 489.623 2.678 40 0 aggregator JFABRN O=C1c2cccc3c(NC(CO)(CO)CO)ccc(c23)C(=O)N1c1ccc(Br)cc1 ZINC000003045197 194216577 /nfs/dbraw/zinc/21/65/77/194216577.db2.gz UYBNOTPKHHXCBB-UHFFFAOYSA-N 0 0 471.307 2.531 40 0 JFABRN CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)CC2)cc1 ZINC000004092553 194376876 /nfs/dbraw/zinc/37/68/76/194376876.db2.gz VSDMOWFMTXQCFS-UHFFFAOYSA-N 0 0 469.607 2.780 40 0 JFABRN O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1-c1ccccc1 ZINC000004259576 194386534 /nfs/dbraw/zinc/38/65/34/194386534.db2.gz GGZWXNKJSSDHGD-WNRNVDISSA-N 0 0 460.416 2.888 40 0 biogenic,in-vitro JFABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccco2)cc1 ZINC000004355780 194388337 /nfs/dbraw/zinc/38/83/37/194388337.db2.gz YFICKPRRHYSSLF-SFHVURJKSA-N 0 0 485.566 2.724 40 0 JFABRN CCC[C@@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000004400525 194389097 /nfs/dbraw/zinc/38/90/97/194389097.db2.gz LMAVNIGBPQYFML-UNMCSNQZSA-N 0 0 497.633 2.729 40 0 JFABRN CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)N1CCC(C(=O)OC)CC1 ZINC000005415212 194406064 /nfs/dbraw/zinc/40/60/64/194406064.db2.gz VAPVWMNYOXEXBB-HKUYNNGSSA-N 0 0 466.600 2.534 40 0 biogenic,in-vitro JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3ccc(F)cc3)n2)cc1OC ZINC000006133955 194412870 /nfs/dbraw/zinc/41/28/70/194412870.db2.gz DKZOHLMSMZVHDI-UHFFFAOYSA-N 0 0 498.559 2.688 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCCc2ccccc21 ZINC000006136274 194413713 /nfs/dbraw/zinc/41/37/13/194413713.db2.gz UWFXCZRARZQMJO-QHCPKHFHSA-N 0 0 476.537 2.720 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cn3nnc(-c4ccccc4)n3)n2CC)cc1 ZINC000006878357 194435356 /nfs/dbraw/zinc/43/53/56/194435356.db2.gz JRUQGMQWHSIQTI-UHFFFAOYSA-N 0 0 492.565 2.907 40 0 JFABRN CCOC(=O)c1ccc(-n2c(C)cn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1 ZINC000009149686 194566486 /nfs/dbraw/zinc/56/64/86/194566486.db2.gz MHWYXGNGPKIVLI-UHFFFAOYSA-N 0 0 471.517 2.980 40 0 JFABRN CC(=O)c1ccc(O[C@H]2O[C@H]3CO[C@H](c4cccc(Br)c4)O[C@@H]3[C@@H](O)[C@H]2O)cc1 ZINC000009592168 194789917 /nfs/dbraw/zinc/78/99/17/194789917.db2.gz FPFBRQIPKFIBQG-DGGDGUMWSA-N 0 0 465.296 2.591 40 0 JFABRN COc1ccccc1OCCCN1c2ccc(C)cc2[C@]2(SC(NC(C)=O)=NN2C(C)=O)C1=O ZINC000009925761 195023758 /nfs/dbraw/zinc/02/37/58/195023758.db2.gz KDRWUIBJVXLFMA-DEOSSOPVSA-N 0 0 482.562 2.975 40 0 JFABRN CS(=O)(=O)N[C@H]1CCN2C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccc3NC(=O)[C@@H]2C1 ZINC000012604801 195049783 /nfs/dbraw/zinc/04/97/83/195049783.db2.gz MOPVDFWHAORUHU-YJBOKZPZSA-N 0 0 467.469 2.847 40 0 biogenic,in-vitro JFABRN O=C(NC1CCCC1)C(=O)N(Cc1ccco1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012640833 195070504 /nfs/dbraw/zinc/07/05/04/195070504.db2.gz MMBKEGRJHZHNBI-RBBKRZOGSA-N 0 0 471.529 2.843 40 0 JFABRN CC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)C(=O)NCc1ccc2c(c1)OCO2)c1cccnc1 ZINC000012641629 195071357 /nfs/dbraw/zinc/07/13/57/195071357.db2.gz BEWZWRMSVOOGJD-NRFANRHFSA-N 0 0 478.505 2.709 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(c2ccccc2)C(=O)[C@H]2[C@@H](C(=O)NCc3cccs3)[C@H]3C=C[C@@]12O3 ZINC000012642684 195072186 /nfs/dbraw/zinc/07/21/86/195072186.db2.gz WBERAOVVTLXGMQ-VVIUBNQASA-N 0 0 465.575 2.634 40 0 JFABRN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 ZINC000012635269 195066918 /nfs/dbraw/zinc/06/69/18/195066918.db2.gz WDZMAABKTOONTD-UHFFFAOYSA-N 0 0 493.651 2.817 40 0 JFABRN Cc1ccc(NC(=O)CSCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000012636415 195067972 /nfs/dbraw/zinc/06/79/72/195067972.db2.gz UABLCYCURVCRHL-UHFFFAOYSA-N 0 0 461.609 2.508 40 0 JFABRN CCOc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1OCC ZINC000012686233 195086083 /nfs/dbraw/zinc/08/60/83/195086083.db2.gz GIQKILHCRFQNNP-UHFFFAOYSA-N 0 0 464.540 2.766 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000012701203 195091564 /nfs/dbraw/zinc/09/15/64/195091564.db2.gz KGCNUERNYYWTLQ-MRXNPFEDSA-N 0 0 494.527 2.684 40 0 JFABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@H](C)C(=O)NC2CCCC2)cc1OC ZINC000012701704 195091638 /nfs/dbraw/zinc/09/16/38/195091638.db2.gz AUCOXOVJVJIKBD-MRXNPFEDSA-N 0 0 496.543 2.977 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012708995 195093924 /nfs/dbraw/zinc/09/39/24/195093924.db2.gz ZRKJHYBGMXBVFV-CAROCFPZSA-N 0 0 479.549 2.988 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1 ZINC000012716381 195097034 /nfs/dbraw/zinc/09/70/34/195097034.db2.gz BLAWEQSJRGBSQF-JXFKEZNVSA-N 0 0 486.598 2.967 40 0 JFABRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1ccco1 ZINC000020637017 195191749 /nfs/dbraw/zinc/19/17/49/195191749.db2.gz BZFXDBZSDIYUIR-ZWKOTPCHSA-N 0 0 464.444 2.827 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc(OC)c1OC ZINC000020802448 195227364 /nfs/dbraw/zinc/22/73/64/195227364.db2.gz URBMYRSNFSLSQT-PMACEKPBSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000020802112 195227393 /nfs/dbraw/zinc/22/73/93/195227393.db2.gz RPWOBJOJAVJXAC-LEWJYISDSA-N 0 0 483.521 2.824 40 0 JFABRN Cc1nc(N2CCN(C(=O)c3ccco3)CC2)[nH]c(=O)c1Cc1ccc(Br)cc1 ZINC000021266967 195292619 /nfs/dbraw/zinc/29/26/19/195292619.db2.gz SKSGDTOZMNLWIZ-UHFFFAOYSA-N 0 0 457.328 2.987 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)cc2c1 ZINC000057589523 195351473 /nfs/dbraw/zinc/35/14/73/195351473.db2.gz RZNRCCHQSAJXOA-QHCPKHFHSA-N 0 0 462.529 2.811 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)cc2c1 ZINC000057594853 195352213 /nfs/dbraw/zinc/35/22/13/195352213.db2.gz VUPAVWFAOQCXMI-QHCPKHFHSA-N 0 0 460.538 2.508 40 0 JFABRN CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@H]3CCCO3)Cc3cccnc3)cc2c1 ZINC000057607043 195352692 /nfs/dbraw/zinc/35/26/92/195352692.db2.gz NXQJNUMUHOQCCL-JOCHJYFZSA-N 0 0 459.554 2.853 40 0 JFABRN COc1ccc(CN(Cc2nnnn2C[C@H]2CCCO2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000057607779 195353086 /nfs/dbraw/zinc/35/30/86/195353086.db2.gz SIEYKVCVWHZKEW-HSZRJFAPSA-N 0 0 490.564 2.913 40 0 JFABRN COCCn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057615839 195353829 /nfs/dbraw/zinc/35/38/29/195353829.db2.gz UZRXOQKIIHUQAD-UHFFFAOYSA-N 0 0 476.537 2.709 40 0 JFABRN CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000057730280 195358592 /nfs/dbraw/zinc/35/85/92/195358592.db2.gz FOQUIENZKRJUEU-KRWDZBQOSA-N 0 0 466.567 2.738 40 0 JFABRN CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000057730968 195359225 /nfs/dbraw/zinc/35/92/25/195359225.db2.gz MEJHQMCITZSIDI-QGZVFWFLSA-N 0 0 451.552 2.617 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000059306081 195397209 /nfs/dbraw/zinc/39/72/09/195397209.db2.gz DWKUBUAQGKTNHC-ZRELAVNMSA-N 0 0 482.533 2.955 40 0 JFABRN Cn1cnnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC[C@H]3CCCO3)sc2c1 ZINC000059489671 195407147 /nfs/dbraw/zinc/40/71/47/195407147.db2.gz XGBPNJCBORYDGX-CYBMUJFWSA-N 0 0 478.625 2.543 40 0 JFABRN CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2ncccn2)C3)cc1 ZINC000095576405 129914011 /nfs/dbraw/zinc/91/40/11/129914011.db2.gz WQBAZXIQANTUOY-KRWDZBQOSA-N 0 0 474.569 2.863 40 0 JFABRN C1CC[C@H]2OCCOCCOCCO[C@H]3CCCC[C@@H]3OCCOCCOCCO[C@@H]2C1 ZINC000012405075 518580186 /nfs/dbraw/zinc/58/01/86/518580186.db2.gz QMLGNDFKJAFKGZ-SWIJEOLNSA-N 0 0 460.608 2.755 40 0 JFABRN CC(C)CCNC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1ccccn1 ZINC000004093214 519655769 /nfs/dbraw/zinc/65/57/69/519655769.db2.gz ROPXLFXRKSBKAA-UHFFFAOYSA-N 0 0 454.527 2.720 40 0 JFABRN CC(C)CCNC(=O)[C@@H](C)N(C(=O)c1snc(C(N)=O)c1N)c1cnc2ccccc2c1 ZINC000006076896 519658445 /nfs/dbraw/zinc/65/84/45/519658445.db2.gz IXBBTCUPZSTCSL-CYBMUJFWSA-N 0 0 454.556 2.570 40 0 JFABRN CC(C)CCNC(=O)[C@@H](c1ccco1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(O)c1 ZINC000006134301 519659222 /nfs/dbraw/zinc/65/92/22/519659222.db2.gz SPMAMDRSZSEGSC-GOSISDBHSA-N 0 0 471.539 2.673 40 0 JFABRN CC(C)CCNC(=O)[C@H](C)N(C(=O)c1snc(C(N)=O)c1N)c1cnc2ccccc2c1 ZINC000006076938 519659809 /nfs/dbraw/zinc/65/98/09/519659809.db2.gz IXBBTCUPZSTCSL-ZDUSSCGKSA-N 0 0 454.556 2.570 40 0 JFABRN CC(C)CCNC(=O)[C@H](c1ccncc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 ZINC000006076974 519660860 /nfs/dbraw/zinc/66/08/60/519660860.db2.gz PUMLHRWNFVTKRK-IBGZPJMESA-N 0 0 466.567 2.770 40 0 JFABRN CC(C)NC(=O)CCn1c2nn(Cc3ccc(F)cc3Cl)c(=O)n2c2ccccc2c1=O ZINC000033291892 519704622 /nfs/dbraw/zinc/70/46/22/519704622.db2.gz YPQHZWPQJVNFDU-UHFFFAOYSA-N 0 0 457.893 2.566 40 0 JFABRN CC(C)NC(=O)CSc1nnc2n1c1cc(C(=O)NC(C)C)ccc1c(=O)n2Cc1ccccc1 ZINC000023126249 519709252 /nfs/dbraw/zinc/70/92/52/519709252.db2.gz CQPRVMJOIOJQTG-UHFFFAOYSA-N 0 0 492.605 2.847 40 0 JFABRN CC(C)CNC(=O)CCn1c2nnc(SCC(=O)N(C)c3ccccc3)n2c2ccccc2c1=O ZINC000033292105 519733624 /nfs/dbraw/zinc/73/36/24/519733624.db2.gz CJMJCISDUPNQFC-UHFFFAOYSA-N 0 0 492.605 2.962 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000033406075 520484457 /nfs/dbraw/zinc/48/44/57/520484457.db2.gz YSTKHNZJKFENED-PZDOZLBDSA-N 0 0 480.542 2.521 40 0 JFABRN CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3C1[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@@H]12 ZINC000013590899 520542599 /nfs/dbraw/zinc/54/25/99/520542599.db2.gz ANYNUHFXXQLFIY-NCAVQJPESA-N 0 0 498.535 2.964 40 0 JFABRN CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc(Cl)c2C)CC(=O)N3)CC1 ZINC000038828331 520586330 /nfs/dbraw/zinc/58/63/30/520586330.db2.gz MBPIJTKWXHRZQA-AWEZNQCLSA-N 0 0 487.944 2.576 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013506212 520723126 /nfs/dbraw/zinc/72/31/26/520723126.db2.gz YVYQGYJFBIPNDW-QHCPKHFHSA-N 0 0 485.606 2.978 40 0 JFABRN CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC(=O)N3)CC1 ZINC000022610154 521049265 /nfs/dbraw/zinc/04/92/65/521049265.db2.gz OLSCUSWFOOTFJZ-CQSZACIVSA-N 0 0 465.432 2.969 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000016692527 521185523 /nfs/dbraw/zinc/18/55/23/521185523.db2.gz LFWIYYCUHURLPK-UHFFFAOYSA-N 0 0 470.975 2.735 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N ZINC000006077430 521336952 /nfs/dbraw/zinc/33/69/52/521336952.db2.gz HNHIGYHYXBBMBA-LJQANCHMSA-N 0 0 496.593 2.613 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21 ZINC000020109334 521337929 /nfs/dbraw/zinc/33/79/29/521337929.db2.gz RLJUPUFJWDUUJT-HSZRJFAPSA-N 0 0 498.653 2.700 40 0 JFABRN CCOC(=O)c1cc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)ccc1Cl ZINC000020459693 521438343 /nfs/dbraw/zinc/43/83/43/521438343.db2.gz QMQSWWROSIROGW-UHFFFAOYSA-N 0 0 470.931 2.939 40 0 JFABRN CCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)ccc1Cl ZINC000044848957 521441649 /nfs/dbraw/zinc/44/16/49/521441649.db2.gz YFQRUTRIEUEPLW-UHFFFAOYSA-N 0 0 482.942 2.799 40 0 JFABRN CCOc1ccccc1NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N ZINC000016756148 521531798 /nfs/dbraw/zinc/53/17/98/521531798.db2.gz WHRNDFZPLDOXJM-UHFFFAOYSA-N 0 0 459.528 2.814 40 0 JFABRN CCCn1c2nn(CC(=O)Nc3ccc(CC)cc3)c(=O)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000035481418 521640324 /nfs/dbraw/zinc/64/03/24/521640324.db2.gz ATWOWIIVFBOLFZ-UHFFFAOYSA-N 0 0 490.564 2.560 40 0 JFABRN CCCn1c2nn(CC(=O)Nc3ccc(C)c(C)c3)c(=O)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000035481421 521640800 /nfs/dbraw/zinc/64/08/00/521640800.db2.gz FBVXYPYPWNLYMS-UHFFFAOYSA-N 0 0 490.564 2.615 40 0 JFABRN CCCn1c2nnc(SCC(=O)NCC3(N4CCOCC4)CCCCC3)n2c2ccccc2c1=O ZINC000014640410 521641461 /nfs/dbraw/zinc/64/14/61/521641461.db2.gz OVACWLAFFFJEBJ-UHFFFAOYSA-N 0 0 498.653 2.698 40 0 JFABRN CCS(=O)(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 ZINC000006161932 521663337 /nfs/dbraw/zinc/66/33/37/521663337.db2.gz NZLBFUIYFVIITH-LLVKDONJSA-N 0 0 471.370 2.811 40 0 JFABRN CCS(=O)(=O)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 ZINC000006161933 521663873 /nfs/dbraw/zinc/66/38/73/521663873.db2.gz NZLBFUIYFVIITH-NSHDSACASA-N 0 0 471.370 2.811 40 0 JFABRN COC(=O)c1cc2cc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)ccc2s1 ZINC000020025008 521917125 /nfs/dbraw/zinc/91/71/25/521917125.db2.gz OOKYEHINNJTMDS-UHFFFAOYSA-N 0 0 490.559 2.970 40 0 JFABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000020495032 522048873 /nfs/dbraw/zinc/04/88/73/522048873.db2.gz XQMRUQIZGHSRGQ-UHFFFAOYSA-N 0 0 452.554 2.590 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000012467291 522156350 /nfs/dbraw/zinc/15/63/50/522156350.db2.gz GCYNZACHSPMZKD-QHCPKHFHSA-N 0 0 477.544 2.520 40 0 JFABRN CC[C@@H](C)OC(=O)[C@H](C)OC(=O)OCCOCCOC(=O)O[C@@H](C)C(=O)O[C@@H](C)CC ZINC000004353200 522239510 /nfs/dbraw/zinc/23/95/10/522239510.db2.gz ABXWTRBPSFPYRM-FZKCQIBNSA-N 0 0 450.481 2.770 40 0 JFABRN COC(=O)c1ccccc1NC(=O)CSc1nn2c(nnc(Cc3ccccc3)c2=O)s1 ZINC000027526524 522275456 /nfs/dbraw/zinc/27/54/56/522275456.db2.gz ZXZMPIZJGPWYNM-UHFFFAOYSA-N 0 0 467.532 2.654 40 0 JFABRN COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(Cl)cc42)N2CCC[C@@H]32)cc(OC)c1OC ZINC000012418776 522629276 /nfs/dbraw/zinc/62/92/76/522629276.db2.gz VVTHMNLMKPXMCH-SBSRMGESSA-N 0 0 497.935 2.797 40 0 JFABRN CCc1nn(CC(=O)NCc2ccc(OC)cc2OC)c(=O)c2cc3c(cccc3OC)n21 ZINC000008605027 522701567 /nfs/dbraw/zinc/70/15/67/522701567.db2.gz HPMUSRXBNWYJOT-UHFFFAOYSA-N 0 0 450.495 2.554 40 0 JFABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000022527789 522886065 /nfs/dbraw/zinc/88/60/65/522886065.db2.gz UMAPBBPNTCMNHP-IBGZPJMESA-N 0 0 464.540 2.521 40 0 JFABRN COc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc43)c(=O)[nH]c2cc1OC ZINC000006136450 523059297 /nfs/dbraw/zinc/05/92/97/523059297.db2.gz FZROWPWTZPBPMU-UUOWRZLLSA-N 0 0 488.548 2.863 40 0 JFABRN COc1ccc(-c2ccc3c(c2)C(=O)N2CCN(C(=O)c4cccnc4)C[C@@H]2C(=O)N3)c(OC)c1 ZINC000004235938 523137535 /nfs/dbraw/zinc/13/75/35/523137535.db2.gz RMDLPUSBQUUXOT-JOCHJYFZSA-N 0 0 472.501 2.685 40 0 biogenic,in-vitro JFABRN COCc1nn2c(nnc3c2ccn(NC(=O)c2ccc(F)cc2)c3=O)c1-c1ccc(F)cc1 ZINC000040392296 523250249 /nfs/dbraw/zinc/25/02/49/523250249.db2.gz VKUWYGSEOYMHOI-UHFFFAOYSA-N 0 0 462.416 2.915 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 ZINC000019867901 523368293 /nfs/dbraw/zinc/36/82/93/523368293.db2.gz XDIQLMQSMQCFKC-UHFFFAOYSA-N 0 0 487.622 2.942 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccco1)c1ccc(C)cc1 ZINC000013502498 523540388 /nfs/dbraw/zinc/54/03/88/523540388.db2.gz FTOQTNVCCCDEOJ-DEOSSOPVSA-N 0 0 461.522 2.865 40 0 JFABRN CO[C@@H]1OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O ZINC000005492879 523779097 /nfs/dbraw/zinc/77/90/97/523779097.db2.gz HDWFQKCUDHLFAA-GDKQOWJMSA-N 0 0 458.640 2.649 40 0 JFABRN COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)CC(C)=O)C[C@@H]2CN3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000004692045 523810287 /nfs/dbraw/zinc/81/02/87/523810287.db2.gz QBZQSENKKXVNNZ-BOFOLLADSA-N 0 0 498.576 2.811 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Br)cc2)cc1 ZINC000020021119 523959533 /nfs/dbraw/zinc/95/95/33/523959533.db2.gz UPECIWZKEZHJSM-CQSZACIVSA-N 0 0 471.373 2.630 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(OC)cc2)c(Cl)c1 ZINC000020023213 523959921 /nfs/dbraw/zinc/95/99/21/523959921.db2.gz IJCHCIIXUDQFPW-CQSZACIVSA-N 0 0 456.948 2.530 40 0 JFABRN CC[C@H](C)NC(=O)CCn1c2nnc(SCC(=O)NCCC(C)C)n2c2ccccc2c1=O ZINC000033292168 523969512 /nfs/dbraw/zinc/96/95/12/523969512.db2.gz NPDLBLRLTNIZKO-INIZCTEOSA-N 0 0 472.615 2.603 40 0 JFABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3cccc(F)c3)nnc1n(C)c2=O ZINC000033256805 524000551 /nfs/dbraw/zinc/00/05/51/524000551.db2.gz PMBNMBVCRKRBCP-ZDUSSCGKSA-N 0 0 482.541 2.979 40 0 JFABRN CCc1ccc([C@@H](C(=O)NCCOC)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013509133 524018945 /nfs/dbraw/zinc/01/89/45/524018945.db2.gz ZXGUTALSAPOHNB-BWKNWUBXSA-N 0 0 479.581 2.505 40 0 JFABRN CO[C@H]1OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O ZINC000005492876 524021604 /nfs/dbraw/zinc/02/16/04/524021604.db2.gz HDWFQKCUDHLFAA-QVGHQYEOSA-N 0 0 458.640 2.649 40 0 JFABRN COc1ccc(CNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1OC ZINC000038753487 524049363 /nfs/dbraw/zinc/04/93/63/524049363.db2.gz OKMCSYVPRSEODK-UHFFFAOYSA-N 0 0 457.346 2.549 40 0 JFABRN COc1cccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3F)CC2)c1OC ZINC000013504549 524105796 /nfs/dbraw/zinc/10/57/96/524105796.db2.gz WXKGIQNVMBORCM-JPYJTQIMSA-N 0 0 482.560 2.920 40 0 JFABRN Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccccc4)CC2)[nH]c3=O)c1 ZINC000006161760 524113585 /nfs/dbraw/zinc/11/35/85/524113585.db2.gz FJZLLZUVJMSPOI-UHFFFAOYSA-N 0 0 478.578 2.748 40 0 JFABRN Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(=O)(=O)N(C)C)c1 ZINC000020244797 524117239 /nfs/dbraw/zinc/11/72/39/524117239.db2.gz MOJDPTSLWPQALF-UHFFFAOYSA-N 0 0 460.600 2.941 40 0 JFABRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1NS(C)(=O)=O ZINC000013677516 524170710 /nfs/dbraw/zinc/17/07/10/524170710.db2.gz SGXZRSLUPQXRMR-UHFFFAOYSA-N 0 0 451.570 2.793 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000016187583 524248224 /nfs/dbraw/zinc/24/82/24/524248224.db2.gz TZFRPRKOBAIFPW-RMKNXTFCSA-N 0 0 478.014 2.827 40 0 JFABRN Cc1cc(C)c(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c(C)c1 ZINC000022427741 524275823 /nfs/dbraw/zinc/27/58/23/524275823.db2.gz DTAYQZVQPTZVSF-KRWDZBQOSA-N 0 0 452.598 2.659 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1Cl ZINC000020455093 524370621 /nfs/dbraw/zinc/37/06/21/524370621.db2.gz VXVRBNSUASCFFL-ZDUSSCGKSA-N 0 0 456.948 2.837 40 0 JFABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NCc2ccccc2)c1 ZINC000012472684 524400489 /nfs/dbraw/zinc/40/04/89/524400489.db2.gz BLABRKYFZFCEEX-OAHLLOKOSA-N 0 0 451.552 2.793 40 0 JFABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1 ZINC000020485197 524450346 /nfs/dbraw/zinc/45/03/46/524450346.db2.gz XZZMAJLARSLDAT-UHFFFAOYSA-N 0 0 499.633 2.610 40 0 JFABRN COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000022519366 524551676 /nfs/dbraw/zinc/55/16/76/524551676.db2.gz VSCZMTHMWPZSOH-UHFFFAOYSA-N 0 0 457.596 2.973 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(I)cc2)c1 ZINC000016188233 524871967 /nfs/dbraw/zinc/87/19/67/524871967.db2.gz NASKJKNKCJFIAU-UHFFFAOYSA-N 0 0 490.319 2.568 40 0 JFABRN Cc1cccc2cc(CN(Cc3cccnc3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c12 ZINC000019822684 524974168 /nfs/dbraw/zinc/97/41/68/524974168.db2.gz BGIDEEJSBREHDX-UHFFFAOYSA-N 0 0 465.623 2.831 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)c2ccc(N3CCCC3)cc2)cc1C(=O)N1CCOCC1 ZINC000013613774 525005354 /nfs/dbraw/zinc/00/53/54/525005354.db2.gz LHZAXNIZDRQZMW-UHFFFAOYSA-N 0 0 459.568 2.593 40 0 JFABRN COc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@@H]2CCCO2)cc1 ZINC000006239908 525015332 /nfs/dbraw/zinc/01/53/32/525015332.db2.gz QHOBBWPOPIWTKY-IBGZPJMESA-N 0 0 486.546 2.678 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000020456979 525025693 /nfs/dbraw/zinc/02/56/93/525025693.db2.gz QGZLBXITUFISNS-UHFFFAOYSA-N 0 0 487.987 2.757 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000022511532 525025786 /nfs/dbraw/zinc/02/57/86/525025786.db2.gz UONGRWCDRXQWTH-UHFFFAOYSA-N 0 0 454.552 2.986 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000014374019 525040775 /nfs/dbraw/zinc/04/07/75/525040775.db2.gz IZSLNOYNMHAJKC-CQSZACIVSA-N 0 0 454.932 2.776 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000020005610 525070972 /nfs/dbraw/zinc/07/09/72/525070972.db2.gz PKQPWWXXBIBVER-FQEVSTJZSA-N 0 0 498.557 2.639 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1OC ZINC000020005624 525074781 /nfs/dbraw/zinc/07/47/81/525074781.db2.gz DISYRWOWPULAST-HXUWFJFHSA-N 0 0 464.584 2.525 40 0 JFABRN COc1ncn([C@H]2C[C@H](OC(=O)c3ccc(C)cc3)[C@H](COC(=O)c3ccc(C)cc3)O2)c(=O)n1 ZINC000005124793 525078797 /nfs/dbraw/zinc/07/87/97/525078797.db2.gz ZUWKKHQJSZOTKK-PCCBWWKXSA-N 0 0 479.489 2.634 40 0 JFABRN COc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000020484711 525099014 /nfs/dbraw/zinc/09/90/14/525099014.db2.gz XOJPQYSPWKFZLN-UHFFFAOYSA-N 0 0 450.582 2.637 40 0 JFABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000038140890 525115741 /nfs/dbraw/zinc/11/57/41/525115741.db2.gz JASYOPOIUHUBJK-XLYQSDPOSA-N 0 0 464.643 2.850 40 0 biogenic JFABRN C[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857183 525146965 /nfs/dbraw/zinc/14/69/65/525146965.db2.gz BICHILFMOTZUJG-BTYIYWSLSA-N 0 0 494.635 2.792 40 0 JFABRN CS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)Oc2ccc(Cl)cc21 ZINC000020043571 525186917 /nfs/dbraw/zinc/18/69/17/525186917.db2.gz HMRJOWRVSAWDHO-LJQANCHMSA-N 0 0 470.378 2.869 40 0 JFABRN Cc1cc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN([C@H](C(=O)NC5CCCC5)c5ccccc5)C(=O)[C@H]24)O3)no1 ZINC000035290057 525237426 /nfs/dbraw/zinc/23/74/26/525237426.db2.gz GEFYBGVGMMHBKD-QJMNDWEISA-N 0 0 476.533 2.504 40 0 JFABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006074589 525285335 /nfs/dbraw/zinc/28/53/35/525285335.db2.gz YAQFUXSUGBGXQO-LJQANCHMSA-N 0 0 496.593 2.526 40 0 JFABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 ZINC000022518089 525351196 /nfs/dbraw/zinc/35/11/96/525351196.db2.gz NHUIBHRKQAZJOH-MJGOQNOKSA-N 0 0 458.584 2.635 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](C(C)C)N2CCN(Cc3ccco3)CC2)cc1 ZINC000019211179 525493224 /nfs/dbraw/zinc/49/32/24/525493224.db2.gz NNDPTYPYMCWQQQ-NRFANRHFSA-N 0 0 458.588 2.521 40 0 JFABRN C[C@@]1(N2CCOCC2)COc2c(I)cc(I)cc2C1=O ZINC000016578181 525865844 /nfs/dbraw/zinc/86/58/44/525865844.db2.gz LUBBJIBMXZYITG-CQSZACIVSA-N 0 0 499.086 2.562 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)n2)cc1 ZINC000000882689 525868025 /nfs/dbraw/zinc/86/80/25/525868025.db2.gz FOGJDWZOKAXWLZ-KRWDZBQOSA-N 0 0 454.556 2.850 40 0 JFABRN Cc1ccc2c(c1)c(=O)n(CCC(=O)NC(C)C)c1nnc(SCC(=O)Nc3ccccc3)n12 ZINC000033292125 526216905 /nfs/dbraw/zinc/21/69/05/526216905.db2.gz WTXGDEHMGKZRCL-UHFFFAOYSA-N 0 0 478.578 2.998 40 0 JFABRN Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 ZINC000020082531 526233351 /nfs/dbraw/zinc/23/33/51/526233351.db2.gz DLAVTCJFPRFJDK-NRFANRHFSA-N 0 0 475.553 2.718 40 0 JFABRN O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1 ZINC000004411081 526700141 /nfs/dbraw/zinc/70/01/41/526700141.db2.gz IBYRURJDGBACIA-UHFFFAOYSA-N 0 0 493.944 2.696 40 0 JFABRN O=C(NCc1ccccc1-n1ccnc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000044848343 526741661 /nfs/dbraw/zinc/74/16/61/526741661.db2.gz OFKDADQYXPXEKF-UHFFFAOYSA-N 0 0 456.543 2.870 40 0 JFABRN O=C(c1ccco1)N1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2ccc(Cl)cc2)CC1 ZINC000019342063 526830934 /nfs/dbraw/zinc/83/09/34/526830934.db2.gz VBONLWFLPLCHLW-QUCCMNQESA-N 0 0 456.934 2.646 40 0 JFABRN Cc1nc2c(cc(-c3ccco3)nc2C(=O)NCc2ccccn2)n1[C@H]1CCS(=O)(=O)C1 ZINC000041104918 527097390 /nfs/dbraw/zinc/09/73/90/527097390.db2.gz AHPMDGPVICKFMN-INIZCTEOSA-N 0 0 451.508 2.684 40 0 JFABRN Cn1c2nnc(SCC(=O)NC3CCCCC3)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000033256821 527127401 /nfs/dbraw/zinc/12/74/01/527127401.db2.gz LBWABLGJZBYVEE-UHFFFAOYSA-N 0 0 482.610 2.795 40 0 JFABRN Cc1nc2ccc(N(CC(=O)NCc3ccc(F)cc3)C(=O)c3snc(C(N)=O)c3N)cc2s1 ZINC000012467092 527140213 /nfs/dbraw/zinc/14/02/13/527140213.db2.gz PZESCCSOXIKNDV-UHFFFAOYSA-N 0 0 498.565 2.845 40 0 JFABRN O=C(Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1)N1CCCC1 ZINC000025151222 527235378 /nfs/dbraw/zinc/23/53/78/527235378.db2.gz LYCZGKLKNOLACA-HXUWFJFHSA-N 0 0 455.580 2.891 40 0 JFABRN O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2c1nnn2Cc1ccccc1 ZINC000006161944 527274890 /nfs/dbraw/zinc/27/48/90/527274890.db2.gz VWHBBYLHMDDKQP-INIZCTEOSA-N 0 0 468.514 2.683 40 0 JFABRN O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020460400 527409008 /nfs/dbraw/zinc/40/90/08/527409008.db2.gz SUSUCVHQTPRVAK-QFIPXVFZSA-N 0 0 499.633 2.772 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCCO)S(=O)(=O)c1ccccc1Br)OCO3 ZINC000006446086 527443484 /nfs/dbraw/zinc/44/34/84/527443484.db2.gz LBZPUIKVVXIXLQ-UHFFFAOYSA-N 0 0 495.351 2.593 40 0 JFABRN O=C([O-])C[C@@H]1CCN(C(=O)c2ccc(F)cc2)C[C@@H]1CC[NH+]1CCN(c2ccccn2)CC1 ZINC000020463415 527630565 /nfs/dbraw/zinc/63/05/65/527630565.db2.gz DDFGJFZQXCLOBS-SFTDATJTSA-N 0 0 454.546 2.986 40 0 biogenic,in-vitro JFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2cccnc2)cc1OC ZINC000000792902 553781786 /nfs/dbraw/zinc/78/17/86/553781786.db2.gz FODSMUBJEBVKST-UHFFFAOYSA-N 0 0 469.563 2.649 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3C(=O)OC)cc2c1 ZINC000000885176 553823900 /nfs/dbraw/zinc/82/39/00/553823900.db2.gz HXUWXQOJMNGVGI-UHFFFAOYSA-N 0 0 455.536 2.905 40 0 JFABRN O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc(-c2cccs2)n1)NC1CCCCC1 ZINC000000887392 553825754 /nfs/dbraw/zinc/82/57/54/553825754.db2.gz PGOGHONVPWAPRW-UHFFFAOYSA-N 0 0 482.566 2.608 40 0 JFABRN O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccc(F)cc1 ZINC000000901084 553834772 /nfs/dbraw/zinc/83/47/72/553834772.db2.gz DUGAQNZFHGPZJT-UHFFFAOYSA-N 0 0 463.512 2.872 40 0 JFABRN COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)c(=O)oc21 ZINC000000902038 553835647 /nfs/dbraw/zinc/83/56/47/553835647.db2.gz NPFAVBUVROMOFY-INIZCTEOSA-N 0 0 458.492 2.511 40 0 JFABRN Cc1cccc(OCc2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n2C)c1C ZINC000000902816 553836148 /nfs/dbraw/zinc/83/61/48/553836148.db2.gz CVAXKXCALHWLIA-UHFFFAOYSA-N 0 0 469.567 2.681 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCc2ccccc21)OCCO3 ZINC000000913431 553842229 /nfs/dbraw/zinc/84/22/29/553842229.db2.gz KOLPYRUOCBEJDL-UUOWRZLLSA-N 0 0 486.532 2.617 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3ccc(Br)cc3)cc2c1 ZINC000000918609 553850018 /nfs/dbraw/zinc/85/00/18/553850018.db2.gz GUAZIEYKHYWQTG-UHFFFAOYSA-N 0 0 481.368 2.873 40 0 JFABRN Cn1c(SCC(=O)c2c[nH]c3ccccc32)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000922301 553856096 /nfs/dbraw/zinc/85/60/96/553856096.db2.gz UBNCVFGCBKJPCL-UHFFFAOYSA-N 0 0 497.602 2.959 40 0 JFABRN Cn1c2nc(SCC(=O)NC(C)(C)C)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000000930520 553868345 /nfs/dbraw/zinc/86/83/45/553868345.db2.gz VYPMKYLWUMHDGR-UHFFFAOYSA-N 0 0 465.579 2.642 40 0 JFABRN CC1CCN(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)CC1 ZINC000000931300 553869552 /nfs/dbraw/zinc/86/95/52/553869552.db2.gz WVICBYFUXJUKOP-UHFFFAOYSA-N 0 0 463.629 2.617 40 0 JFABRN COc1ccc(CN(Cc2ccccc2F)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000000933105 553871664 /nfs/dbraw/zinc/87/16/64/553871664.db2.gz QDMDQBBZLLECJE-UHFFFAOYSA-N 0 0 464.540 2.873 40 0 JFABRN COc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000000933303 553871853 /nfs/dbraw/zinc/87/18/53/553871853.db2.gz ALJPWRJSPAPDTL-UHFFFAOYSA-N 0 0 487.603 2.922 40 0 JFABRN CCCC(=O)N[C@H](NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl ZINC000002129660 554059557 /nfs/dbraw/zinc/05/95/57/554059557.db2.gz XHCAKSWEVHXUQE-MQIPJXDCSA-N 0 0 465.834 2.755 40 0 JFABRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCCCCCNC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)OC2=O ZINC000002137405 554062638 /nfs/dbraw/zinc/06/26/38/554062638.db2.gz SEFPLPMHIMRHQU-CXSMSNRLSA-N 0 0 462.587 2.633 40 0 JFABRN O=C(OC[C@@H](O)[C@H]1OC(c2ccccc2)O[C@@H]1[C@H](O)COC(=O)c1ccccc1)c1ccccc1 ZINC000005249410 554488044 /nfs/dbraw/zinc/48/80/44/554488044.db2.gz LQBNQDOSCXRLCD-MOUTVQLLSA-N 0 0 478.497 2.905 40 0 JFABRN O=C(OC[C@@H](O)[C@@H]1O[C@H](c2ccccc2)O[C@H](COC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 ZINC000005732569 554493195 /nfs/dbraw/zinc/49/31/95/554493195.db2.gz PBDQBYAPPGCVBX-PXYUTCIWSA-N 0 0 478.497 2.905 40 0 JFABRN CC(=O)OC[C@@H]1O[C@@H](c2cccc3c2c2ccccc2n3S(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O ZINC000005760713 554493845 /nfs/dbraw/zinc/49/38/45/554493845.db2.gz JUURWDHVEPLGIB-LFBFJMOVSA-N 0 0 481.526 2.756 40 0 JFABRN COc1cc([C@@H]2OC(=O)[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)OC(=O)[C@@H]23)cc(OC)c1OC ZINC000005808585 554494123 /nfs/dbraw/zinc/49/41/23/554494123.db2.gz CXVHFGPMGPBZMK-YRPNKDGESA-N 0 0 474.462 2.867 40 0 JFABRN CC1=NN(c2nc(N)nc(CSc3cc(Cl)c(C)cc3S(N)(=O)=O)n2)C(C)(C)C1 ZINC000005856266 554494917 /nfs/dbraw/zinc/49/49/17/554494917.db2.gz XKWNHGXXLXLVFF-UHFFFAOYSA-N 0 0 455.997 2.720 40 0 JFABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccco2)cc1 ZINC000006134264 554506204 /nfs/dbraw/zinc/50/62/04/554506204.db2.gz CKLHCENJYQSCKA-HXUWFJFHSA-N 0 0 499.593 2.972 40 0 JFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](CC(C)C)C(=O)NC2CCCC2)cc1 ZINC000006190462 554516557 /nfs/dbraw/zinc/51/65/57/554516557.db2.gz VTXSRHJLRZFDNX-QGZVFWFLSA-N 0 0 473.599 2.953 40 0 JFABRN Cc1cc(C)c2cc(CN(CCCO)S(=O)(=O)c3cccc4nsnc43)c(=O)[nH]c2c1 ZINC000006301319 554529699 /nfs/dbraw/zinc/52/96/99/554529699.db2.gz BFPILUWCMKWFME-UHFFFAOYSA-N 0 0 458.565 2.723 40 0 JFABRN NC(=O)c1nsc(C(=O)N([C@H](C(=O)NCc2ccccc2)c2ccncc2)C2CCCC2)c1N ZINC000006446268 554540483 /nfs/dbraw/zinc/54/04/83/554540483.db2.gz PEOLNMOFKZMONU-FQEVSTJZSA-N 0 0 478.578 2.662 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CCCCC1)OCCO3 ZINC000006446621 554540942 /nfs/dbraw/zinc/54/09/42/554540942.db2.gz YKHFZQNZNHVKOJ-HSZRJFAPSA-N 0 0 458.522 2.909 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000006462044 554542919 /nfs/dbraw/zinc/54/29/19/554542919.db2.gz NJBVVIMFDMSOPV-GOSISDBHSA-N 0 0 485.566 2.811 40 0 JFABRN CCCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 ZINC000006481307 554545257 /nfs/dbraw/zinc/54/52/57/554545257.db2.gz SBVRQFZCOCVWEL-HNNXBMFYSA-N 0 0 461.588 2.953 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000006488319 554545745 /nfs/dbraw/zinc/54/57/45/554545745.db2.gz SPVMDOBDPWIZGJ-FNUHDPNESA-N 0 0 480.542 2.521 40 0 JFABRN CCC[C@H](C(=O)NCCC(C)C)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006501461 554547632 /nfs/dbraw/zinc/54/76/32/554547632.db2.gz GXQPHCXMLKJFPL-MRXNPFEDSA-N 0 0 463.579 2.937 40 0 JFABRN CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2C[C@@H]2CCCO2)n1 ZINC000006547356 554550086 /nfs/dbraw/zinc/55/00/86/554550086.db2.gz DAJJTCDAEBDBTM-INIZCTEOSA-N 0 0 488.595 2.812 40 0 JFABRN CC(C)CCNC(=O)[C@H](c1ccco1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000006551193 554550978 /nfs/dbraw/zinc/55/09/78/554550978.db2.gz HBFQSGORPBXZLC-IBGZPJMESA-N 0 0 469.567 2.963 40 0 JFABRN CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006878278 554559589 /nfs/dbraw/zinc/55/95/89/554559589.db2.gz UDKNHABRVMXMKO-UHFFFAOYSA-N 0 0 493.655 2.527 40 0 JFABRN COCCCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nc2ccccc2c1=O ZINC000006904655 554560654 /nfs/dbraw/zinc/56/06/54/554560654.db2.gz UNLDQGREJIVUGV-UHFFFAOYSA-N 0 0 472.592 2.813 40 0 JFABRN CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)NC3CCCCC3)n2)cc1 ZINC000008253904 554564307 /nfs/dbraw/zinc/56/43/07/554564307.db2.gz IWZBBXVIMRODOP-MYDTUXCISA-N 0 0 466.586 2.788 40 0 biogenic,in-vitro JFABRN CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)Nc3ccccc3)n2)cc1 ZINC000008254490 554564582 /nfs/dbraw/zinc/56/45/82/554564582.db2.gz XLORQYAUQMFCPR-MYDTUXCISA-N 0 0 460.538 2.978 40 0 biogenic,in-vitro JFABRN O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@H]12)N1CCOCC1 ZINC000008299662 554565463 /nfs/dbraw/zinc/56/54/63/554565463.db2.gz FPFYWIYMMUMPTM-PMACEKPBSA-N 0 0 454.914 2.584 40 0 biogenic,in-vitro JFABRN O=C(N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)c1ccccc1 ZINC000008382391 554565879 /nfs/dbraw/zinc/56/58/79/554565879.db2.gz SOPYFJUGCBWBPY-MCTWOOPOSA-N 0 0 483.524 2.994 40 0 biogenic,in-vitro JFABRN CC1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000008751244 554653206 /nfs/dbraw/zinc/65/32/06/554653206.db2.gz QLIAYYPNQCCFJM-IERDGZPVSA-N 0 0 452.515 2.656 40 0 JFABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000008831621 554723170 /nfs/dbraw/zinc/72/31/70/554723170.db2.gz QLZGNTVCNINCIK-UHFFFAOYSA-N 0 0 468.579 2.889 40 0 JFABRN COc1ccc(S(=O)(=O)NCCCCCCNS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000008834305 554732027 /nfs/dbraw/zinc/73/20/27/554732027.db2.gz WSCQKEXYNQWUFK-UHFFFAOYSA-N 0 0 456.586 2.521 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1ccccn1)[C@@H](C(=O)NC(C)(C)C)c1ccc(OC)cc1 ZINC000008994881 554854975 /nfs/dbraw/zinc/85/49/75/554854975.db2.gz FGWIERJARNVZAN-HSZRJFAPSA-N 0 0 470.570 2.940 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1)c1ccc2c(c1)OCO2 ZINC000009391651 555155244 /nfs/dbraw/zinc/15/52/44/555155244.db2.gz PTDTVDVLSQRQNJ-FUHWJXTLSA-N 0 0 493.541 2.637 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)no1 ZINC000013150868 555356840 /nfs/dbraw/zinc/35/68/40/555356840.db2.gz QQQMLAFGEUIECA-YADARESESA-N 0 0 495.536 2.755 40 0 JFABRN CCC(C)(C)NC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1nccs1 ZINC000013151114 555358499 /nfs/dbraw/zinc/35/84/99/555358499.db2.gz YORQPMVHGKLONM-UHFFFAOYSA-N 0 0 460.556 2.924 40 0 JFABRN CC(=O)c1ccc(O[C@@H]2O[C@H]3CO[C@H](c4cccc(Br)c4)O[C@@H]3[C@@H](O)[C@H]2O)cc1 ZINC000009592172 555406337 /nfs/dbraw/zinc/40/63/37/555406337.db2.gz FPFBRQIPKFIBQG-MFHSYZQISA-N 0 0 465.296 2.591 40 0 JFABRN CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)o2)nc1C ZINC000013496161 555411183 /nfs/dbraw/zinc/41/11/83/555411183.db2.gz SZFRTWXRBWXNAL-UHFFFAOYSA-N 0 0 497.580 2.781 40 0 JFABRN COCCn1nnnc1[C@@H](C(C)C)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013498816 555425193 /nfs/dbraw/zinc/42/51/93/555425193.db2.gz SJHMUAFOOCZKPX-HSZRJFAPSA-N 0 0 494.552 2.925 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](C(C)C)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500401 555439792 /nfs/dbraw/zinc/43/97/92/555439792.db2.gz VEKZUOVKBMGTHA-REWPJTCUSA-N 0 0 482.585 2.764 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1ccccn1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)cc1 ZINC000013501318 555449033 /nfs/dbraw/zinc/44/90/33/555449033.db2.gz PALKRCQGVHNVOO-PXDATVDWSA-N 0 0 482.581 2.620 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1ccccn1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000013501316 555449069 /nfs/dbraw/zinc/44/90/69/555449069.db2.gz PALKRCQGVHNVOO-SQJMNOBHSA-N 0 0 482.581 2.620 40 0 JFABRN COc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nccs2)c(OC)c1 ZINC000013501709 555450996 /nfs/dbraw/zinc/45/09/96/555450996.db2.gz OXANFFKBVYEQIM-UHFFFAOYSA-N 0 0 460.556 2.971 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc(F)c(Cl)c1)Nc1nccs1 ZINC000013501963 555452239 /nfs/dbraw/zinc/45/22/39/555452239.db2.gz FUXCSQPTWXYUBL-CQSZACIVSA-N 0 0 468.938 2.983 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1cccs1)Nc1nccs1 ZINC000013502009 555452324 /nfs/dbraw/zinc/45/23/24/555452324.db2.gz VMOWICXGZUGCNH-UHFFFAOYSA-N 0 0 486.575 2.997 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H](C(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502740 555456885 /nfs/dbraw/zinc/45/68/85/555456885.db2.gz VFUNORHDHAXCJN-OAQYLSRUSA-N 0 0 463.600 2.916 40 0 JFABRN CCC[C@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502730 555457021 /nfs/dbraw/zinc/45/70/21/555457021.db2.gz CJCPCIRSZYVANM-OAQYLSRUSA-N 0 0 461.584 2.814 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccco2)[C@@H](C(=O)NC(C)(C)C)C(C)C)cc1 ZINC000013502926 555458180 /nfs/dbraw/zinc/45/81/80/555458180.db2.gz NYCOECACPHSNFL-OAQYLSRUSA-N 0 0 463.600 2.834 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(C[C@H]2CCCO2)[C@H](C(=O)NC2CCCCC2)C(C)C)cc1 ZINC000013502887 555458184 /nfs/dbraw/zinc/45/81/84/555458184.db2.gz WTFZHIJHFJFHGL-QPPBQGQZSA-N 0 0 493.670 2.754 40 0 JFABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(OC)cc1 ZINC000013503019 555458800 /nfs/dbraw/zinc/45/88/00/555458800.db2.gz QOEXDBLRRZWRHY-QFIPXVFZSA-N 0 0 491.610 2.823 40 0 JFABRN CCC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013503104 555459278 /nfs/dbraw/zinc/45/92/78/555459278.db2.gz HKDHVKDKBOKYPR-IBGZPJMESA-N 0 0 467.563 2.809 40 0 JFABRN Cc1ccc(C)c(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013503247 555460088 /nfs/dbraw/zinc/46/00/88/555460088.db2.gz MEUUJWUMUVSEGW-IBGZPJMESA-N 0 0 494.013 2.564 40 0 JFABRN Cc1ccc(N(CC(=O)NCc2ccco2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013503246 555460148 /nfs/dbraw/zinc/46/01/48/555460148.db2.gz REYLBJNXMDAJDV-UHFFFAOYSA-N 0 0 475.954 2.869 40 0 JFABRN CC[C@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013503338 555460618 /nfs/dbraw/zinc/46/06/18/555460618.db2.gz NIYQTSMBDBFMAJ-JOCHJYFZSA-N 0 0 469.563 2.682 40 0 JFABRN CCOC(=O)C1=C(COC(=O)C23C[C@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)NC(=O)N[C@H]1c1ccccc1 ZINC000009728722 555462870 /nfs/dbraw/zinc/46/28/70/555462870.db2.gz BLVVUZZSWRPSIM-NGUWBTQSSA-N 0 0 495.576 2.876 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000013504470 555463792 /nfs/dbraw/zinc/46/37/92/555463792.db2.gz GBLLHUHYRUAREB-XUZZJYLKSA-N 0 0 464.570 2.781 40 0 JFABRN COc1cccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3F)CC2)c1OC ZINC000013504547 555464114 /nfs/dbraw/zinc/46/41/14/555464114.db2.gz WXKGIQNVMBORCM-MBSDFSHPSA-N 0 0 482.560 2.920 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000013504499 555464119 /nfs/dbraw/zinc/46/41/19/555464119.db2.gz DEDYXPDSPHGVIC-URXFXBBRSA-N 0 0 482.560 2.920 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000013504913 555464997 /nfs/dbraw/zinc/46/49/97/555464997.db2.gz KSWWPQQEWATDNH-QHCPKHFHSA-N 0 0 458.522 2.870 40 0 JFABRN COCCNC(=O)[C@@H](c1ccco1)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 ZINC000013508579 555479109 /nfs/dbraw/zinc/47/91/09/555479109.db2.gz KFNKAPGCVHTPRJ-XMMPIXPASA-N 0 0 477.521 2.566 40 0 JFABRN CCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCOC)c1cccc(OC)c1 ZINC000013508994 555479984 /nfs/dbraw/zinc/47/99/84/555479984.db2.gz XDUVXIQVDBQQPA-HSZRJFAPSA-N 0 0 453.543 2.573 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013509177 555480483 /nfs/dbraw/zinc/48/04/83/555480483.db2.gz UHFFRIXRSOUIGR-AREMUKBSSA-N 0 0 487.560 2.973 40 0 JFABRN COCCNC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 ZINC000013509354 555481025 /nfs/dbraw/zinc/48/10/25/555481025.db2.gz QTDFXLDRJJADLP-DEOSSOPVSA-N 0 0 458.522 2.672 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(-n4cnnn4)c(C)c3)CC2)cc1Cl ZINC000013510335 555482328 /nfs/dbraw/zinc/48/23/28/555482328.db2.gz BJARBXUTLJUTSG-UHFFFAOYSA-N 0 0 490.973 2.672 40 0 JFABRN Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CSc1nc(Cc2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000013561671 555494825 /nfs/dbraw/zinc/49/48/25/555494825.db2.gz FRFKFCVVYFYMQJ-UHFFFAOYSA-N 0 0 499.556 2.822 40 0 JFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncoc3-c3ccccc3F)CC2)cc1 ZINC000013565420 555501674 /nfs/dbraw/zinc/50/16/74/555501674.db2.gz GWWMUUFTRCPWIV-UHFFFAOYSA-N 0 0 472.498 2.586 40 0 JFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncoc3-c3cccc(C)c3)CC2)cc1 ZINC000013565413 555501739 /nfs/dbraw/zinc/50/17/39/555501739.db2.gz IOYYEHHSBNUWGB-UHFFFAOYSA-N 0 0 468.535 2.755 40 0 JFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncoc3-c3ccccc3C)CC2)cc1 ZINC000013565409 555501767 /nfs/dbraw/zinc/50/17/67/555501767.db2.gz JSBXACUNQZOYIZ-UHFFFAOYSA-N 0 0 468.535 2.755 40 0 JFABRN COc1cc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(OC)c1OC ZINC000013572185 555510674 /nfs/dbraw/zinc/51/06/74/555510674.db2.gz WQMWZEJRVAYIQG-LSDHHAIUSA-N 0 0 489.619 2.950 40 0 JFABRN CCSc1nnc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)s1 ZINC000013573074 555511900 /nfs/dbraw/zinc/51/19/00/555511900.db2.gz WZUSSDCKHORBRL-NWDGAFQWSA-N 0 0 467.667 2.888 40 0 JFABRN COc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000019856026 555513387 /nfs/dbraw/zinc/51/33/87/555513387.db2.gz IZHLIZSDCVGCHZ-UHFFFAOYSA-N 0 0 450.557 2.830 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1OC ZINC000019856181 555514277 /nfs/dbraw/zinc/51/42/77/555514277.db2.gz LAUBAWPLQOPKKC-UHFFFAOYSA-N 0 0 484.530 2.944 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 ZINC000019867708 555522035 /nfs/dbraw/zinc/52/20/35/555522035.db2.gz BOFASLZTRGSIFT-UHFFFAOYSA-N 0 0 487.622 2.942 40 0 JFABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868902 555523603 /nfs/dbraw/zinc/52/36/03/555523603.db2.gz VRKKQTCNIYWXFP-DLBZAZTESA-N 0 0 477.608 2.696 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1C ZINC000013613692 555535660 /nfs/dbraw/zinc/53/56/60/555535660.db2.gz ZTMSDZHQYHUNKT-HNNXBMFYSA-N 0 0 462.524 2.736 40 0 JFABRN CCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930272 555547534 /nfs/dbraw/zinc/54/75/34/555547534.db2.gz NKIHHPKNACPWQV-UHFFFAOYSA-N 0 0 469.966 2.847 40 0 JFABRN COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1OC ZINC000019931134 555548678 /nfs/dbraw/zinc/54/86/78/555548678.db2.gz OWMBOFIWFJLIRQ-OAQYLSRUSA-N 0 0 454.548 2.910 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC ZINC000019931809 555549326 /nfs/dbraw/zinc/54/93/26/555549326.db2.gz MLRYAYXPGLVSCL-BLVKFPJESA-N 0 0 454.932 2.762 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCN1CCOCC1)C(=S)Nc1ccc(F)cc1)OCO3 ZINC000019940464 555558550 /nfs/dbraw/zinc/55/85/50/555558550.db2.gz JOOWCNRHKHQQPT-UHFFFAOYSA-N 0 0 484.553 2.927 40 0 JFABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000013669858 555559992 /nfs/dbraw/zinc/55/99/92/555559992.db2.gz UUSAIAWMBXZNEE-UHFFFAOYSA-N 0 0 485.587 2.941 40 0 JFABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000019941271 555560205 /nfs/dbraw/zinc/56/02/05/555560205.db2.gz ZCLLFVSMBVVZSD-HEJPQYQCSA-N 0 0 467.607 2.977 40 0 JFABRN O=CN1CCN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000013670949 555562022 /nfs/dbraw/zinc/56/20/22/555562022.db2.gz AWLZOZOLNDJQRH-UHFFFAOYSA-N 0 0 489.903 2.855 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C(=O)N1CCOCC1 ZINC000013672120 555563846 /nfs/dbraw/zinc/56/38/46/555563846.db2.gz YLSIHOKFSYAGHQ-IBGZPJMESA-N 0 0 460.552 2.748 40 0 JFABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(I)cc2)Oc2ccccc21 ZINC000013678530 555569578 /nfs/dbraw/zinc/56/95/78/555569578.db2.gz YDEDTQZLOJVFRC-MRXNPFEDSA-N 0 0 472.304 2.847 40 0 JFABRN CCOc1ccc(NC(SCC(=O)N2CCCC[C@H]2C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973090 555573435 /nfs/dbraw/zinc/57/34/35/555573435.db2.gz SXYQGDUIXKINAW-OAHLLOKOSA-N 0 0 474.583 2.893 40 0 JFABRN CCOc1ccc(NC(SCC(=O)N2CCCC[C@@H]2C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973089 555573442 /nfs/dbraw/zinc/57/34/42/555573442.db2.gz SXYQGDUIXKINAW-HNNXBMFYSA-N 0 0 474.583 2.893 40 0 JFABRN COc1ccc(N(CCCC(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)cc1Cl ZINC000013681372 555574253 /nfs/dbraw/zinc/57/42/53/555574253.db2.gz CMXRMMFVVIATNV-UHFFFAOYSA-N 0 0 451.932 2.880 40 0 JFABRN CN1C(=O)C(=C(Nc2ccc(Cl)cc2)SCC(=O)N2CCCCC2)C(=O)N(C)C1=O ZINC000009973817 555575615 /nfs/dbraw/zinc/57/56/15/555575615.db2.gz FWARBXDNDWOWJB-UHFFFAOYSA-N 0 0 450.948 2.760 40 0 JFABRN COc1ccc(NC(SCC(=O)Nc2ccccc2F)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973960 555576482 /nfs/dbraw/zinc/57/64/82/555576482.db2.gz BXWZDOXXXMSSRZ-UHFFFAOYSA-N 0 0 472.498 2.880 40 0 JFABRN CCc1ccc(NC(SCC(=O)NCc2ccc(OC)cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974181 555577576 /nfs/dbraw/zinc/57/75/76/555577576.db2.gz REEQDQJTQCNTSO-UHFFFAOYSA-N 0 0 496.589 2.981 40 0 JFABRN COc1ccc(CNC(=O)CSC(Nc2ccc(C)cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974317 555578278 /nfs/dbraw/zinc/57/82/78/555578278.db2.gz OHWOLASFXWBMIW-UHFFFAOYSA-N 0 0 482.562 2.727 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC000009974443 555579145 /nfs/dbraw/zinc/57/91/45/555579145.db2.gz QWBIVUZXLUUVFF-MRXNPFEDSA-N 0 0 487.416 2.652 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000009974498 555579180 /nfs/dbraw/zinc/57/91/80/555579180.db2.gz JIENBUDIPUNPKG-SFHVURJKSA-N 0 0 461.559 2.584 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1C ZINC000009974583 555579716 /nfs/dbraw/zinc/57/97/16/555579716.db2.gz OVACXJLJLVMSNO-LJQANCHMSA-N 0 0 475.586 2.892 40 0 JFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NCCCOC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013686201 555579725 /nfs/dbraw/zinc/57/97/25/555579725.db2.gz XWIVJMBSGJMTEM-NRFANRHFSA-N 0 0 461.584 2.945 40 0 JFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NCCCOC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013686484 555579883 /nfs/dbraw/zinc/57/98/83/555579883.db2.gz QQERZISFSNIYBZ-FQEVSTJZSA-N 0 0 465.547 2.775 40 0 JFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013686501 555579939 /nfs/dbraw/zinc/57/99/39/555579939.db2.gz JVBGSCRCELVUMV-RXVVDRJESA-N 0 0 477.558 2.918 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000013688520 555581997 /nfs/dbraw/zinc/58/19/97/555581997.db2.gz KFIHDBPXLJAOLX-UHFFFAOYSA-N 0 0 494.953 2.953 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000020013882 555589983 /nfs/dbraw/zinc/58/99/83/555589983.db2.gz YVTGTQJMOLHRDG-MRXNPFEDSA-N 0 0 450.557 2.991 40 0 JFABRN CC[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712722 555590237 /nfs/dbraw/zinc/59/02/37/555590237.db2.gz IXGIWFSZTJLMKR-MRXNPFEDSA-N 0 0 450.948 2.714 40 0 JFABRN COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000020015687 555591989 /nfs/dbraw/zinc/59/19/89/555591989.db2.gz GIRYQWNORZDDLT-ZDUSSCGKSA-N 0 0 456.948 2.864 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 ZINC000020018053 555593966 /nfs/dbraw/zinc/59/39/66/555593966.db2.gz UBVCFASWJODPMB-MRXNPFEDSA-N 0 0 462.568 2.991 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1 ZINC000020023142 555600978 /nfs/dbraw/zinc/60/09/78/555600978.db2.gz QIUFCIYCKRHNHL-OAHLLOKOSA-N 0 0 468.959 2.626 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(Cl)c1 ZINC000020023230 555601144 /nfs/dbraw/zinc/60/11/44/555601144.db2.gz IXAZEROJXIQKRZ-IBGZPJMESA-N 0 0 452.960 2.837 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)cc2)c(Cl)c1 ZINC000020023210 555601157 /nfs/dbraw/zinc/60/11/57/555601157.db2.gz IJCHCIIXUDQFPW-AWEZNQCLSA-N 0 0 456.948 2.530 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)c(Cl)c1 ZINC000020023253 555601182 /nfs/dbraw/zinc/60/11/82/555601182.db2.gz BUKVVRFUMOVVOB-UHFFFAOYSA-N 0 0 452.838 2.700 40 0 JFABRN COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000020024597 555602613 /nfs/dbraw/zinc/60/26/13/555602613.db2.gz RQYPSFVEKFAPDI-KRWDZBQOSA-N 0 0 462.568 2.535 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)c(C)cc3[nH]c2=O)N2CCN(C)CC2)cc1 ZINC000020079911 555628730 /nfs/dbraw/zinc/62/87/30/555628730.db2.gz CUBFWXVCHJHZTR-XMMPIXPASA-N 0 0 473.581 2.525 40 0 JFABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000020108074 555642596 /nfs/dbraw/zinc/64/25/96/555642596.db2.gz RFIURQNZVFCYRX-JOCHJYFZSA-N 0 0 465.531 2.782 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2cccc(Br)c2)C1C(=O)c1ccc(OC)cc1 ZINC000010231916 555655562 /nfs/dbraw/zinc/65/55/62/555655562.db2.gz VZGQXQQSDHQKJD-KRWDZBQOSA-N 0 0 470.283 2.769 40 0 JFABRN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(C(=O)OC)=Nc3nnnn32)cc1 ZINC000010232016 555655879 /nfs/dbraw/zinc/65/58/79/555655879.db2.gz ZVZYNLCYCKGDNI-KRWDZBQOSA-N 0 0 498.293 2.547 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(Br)cc2)C1C(=O)c1ccc(F)cc1 ZINC000010232058 555656155 /nfs/dbraw/zinc/65/61/55/555656155.db2.gz ZSJRMYFRIOJFAW-MRXNPFEDSA-N 0 0 458.247 2.900 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(Br)cc2)C1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000010232238 555656614 /nfs/dbraw/zinc/65/66/14/555656614.db2.gz PVZGEIRIUOFWIL-MRXNPFEDSA-N 0 0 485.254 2.669 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(Br)cc2)C1C(=O)c1cccc(OC)c1 ZINC000010232297 555656885 /nfs/dbraw/zinc/65/68/85/555656885.db2.gz QOKGILKNVPXHFO-QGZVFWFLSA-N 0 0 470.283 2.769 40 0 JFABRN COc1ccc(CCN2CCCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1OC ZINC000010250122 555660620 /nfs/dbraw/zinc/66/06/20/555660620.db2.gz JUGCVERWLRKLHY-UHFFFAOYSA-N 0 0 489.576 2.609 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020150581 555666734 /nfs/dbraw/zinc/66/67/34/555666734.db2.gz NKHFTZBGCLGXNM-RTXPOLOASA-N 0 0 458.511 2.646 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)c(OC)c2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000020150663 555666938 /nfs/dbraw/zinc/66/69/38/555666938.db2.gz NXIQXVHLXVZLII-FBROZUCGSA-N 0 0 484.574 2.824 40 0 JFABRN Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(S(=O)(=O)c4cccs4)C2)[nH]c3=O)cc1 ZINC000013997828 555667995 /nfs/dbraw/zinc/66/79/95/555667995.db2.gz FWGWZVFLNHTPGR-MRXNPFEDSA-N 0 0 470.580 2.501 40 0 JFABRN CCOC(=O)/C=c1\s/c(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n1CC(=O)N(C)C ZINC000014066231 555675696 /nfs/dbraw/zinc/67/56/96/555675696.db2.gz TXDKGPOYHWKSKI-GSUVBEQCSA-N 0 0 495.384 2.737 40 0 JFABRN COc1cccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000010299967 555676616 /nfs/dbraw/zinc/67/66/16/555676616.db2.gz JCKQGJZKONWIGJ-UHFFFAOYSA-N 0 0 455.536 2.919 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000010303119 555678616 /nfs/dbraw/zinc/67/86/16/555678616.db2.gz PTYCDKHLIFZIFP-UHFFFAOYSA-N 0 0 450.488 2.645 40 0 JFABRN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)CC1 ZINC000010326187 555684827 /nfs/dbraw/zinc/68/48/27/555684827.db2.gz KFOSBJZLOOVADV-QGZVFWFLSA-N 0 0 457.552 2.741 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010333026 555688786 /nfs/dbraw/zinc/68/87/86/555688786.db2.gz QFWKEGMDOWOTHV-OAHLLOKOSA-N 0 0 464.540 2.900 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000010334744 555689784 /nfs/dbraw/zinc/68/97/84/555689784.db2.gz KYFPFRNNDVJKKY-GFCCVEGCSA-N 0 0 498.941 2.715 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010335774 555690947 /nfs/dbraw/zinc/69/09/47/555690947.db2.gz SMNYWLWDUIKZLQ-GOSISDBHSA-N 0 0 461.584 2.863 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)cc1C ZINC000010335935 555691039 /nfs/dbraw/zinc/69/10/39/555691039.db2.gz RBWRQCBJMSPHEE-UHFFFAOYSA-N 0 0 494.639 2.561 40 0 JFABRN CCN1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000014135608 555703823 /nfs/dbraw/zinc/70/38/23/555703823.db2.gz QCHKXMSHRKEUPL-UHFFFAOYSA-N 0 0 472.449 2.937 40 0 JFABRN COc1ccc(N(CC(=O)NCCSCc2ccc(C)cc2)S(C)(=O)=O)cc1OC ZINC000020237189 555731008 /nfs/dbraw/zinc/73/10/08/555731008.db2.gz KTAZWDQHDFGLOQ-UHFFFAOYSA-N 0 0 452.598 2.828 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccc2ccccc2c1 ZINC000010996278 555751598 /nfs/dbraw/zinc/75/15/98/555751598.db2.gz QTPSKHSILBCKGR-UHFFFAOYSA-N 0 0 470.547 2.678 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000014257308 555756830 /nfs/dbraw/zinc/75/68/30/555756830.db2.gz RFIRGSVLAMMNGA-UBXANZILSA-N 0 0 450.516 2.513 40 0 JFABRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)NC1=NCCS1 ZINC000014269530 555759486 /nfs/dbraw/zinc/75/94/86/555759486.db2.gz WTRLSDOVPFUWFD-UHFFFAOYSA-N 0 0 453.181 2.927 40 0 JFABRN COc1ccc(C(=O)Nc2ccccc2Br)cc1S(=O)(=O)N1CCOCC1 ZINC000014291866 555793377 /nfs/dbraw/zinc/79/33/77/555793377.db2.gz SGBJBROVZPUSDU-UHFFFAOYSA-N 0 0 455.330 2.731 40 0 JFABRN C[C@@H](NC(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000011676830 555798306 /nfs/dbraw/zinc/79/83/06/555798306.db2.gz HKUOFAICXHQQDX-COXVUDFISA-N 0 0 463.328 2.511 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 ZINC000014399074 555804480 /nfs/dbraw/zinc/80/44/80/555804480.db2.gz QLWRKZISJNJXKT-UHFFFAOYSA-N 0 0 483.587 2.795 40 0 JFABRN Clc1ccc([C@@H]2NC3=NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 ZINC000020556163 555808128 /nfs/dbraw/zinc/80/81/28/555808128.db2.gz YPPQEXGHFSMEAL-OAQYLSRUSA-N 0 0 451.962 2.565 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 ZINC000014412049 555811182 /nfs/dbraw/zinc/81/11/82/555811182.db2.gz NRJFTLFEBUNGNW-UHFFFAOYSA-N 0 0 489.333 2.971 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000014594995 555835599 /nfs/dbraw/zinc/83/55/99/555835599.db2.gz XQYAHBRPFNZGPN-UHFFFAOYSA-N 0 0 480.514 2.669 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(N4CCCC4=O)c3)CC2)cc1 ZINC000011916317 555867570 /nfs/dbraw/zinc/86/75/70/555867570.db2.gz XTFPJPYDGFFOSA-UHFFFAOYSA-N 0 0 457.552 2.861 40 0 JFABRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197150 555883860 /nfs/dbraw/zinc/88/38/60/555883860.db2.gz DCRNDGTWKGFSDZ-INIZCTEOSA-N 0 0 450.582 2.756 40 0 JFABRN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000015198698 555884117 /nfs/dbraw/zinc/88/41/17/555884117.db2.gz OFGVHCZRTLJQGO-RDJZCZTQSA-N 0 0 468.572 2.507 40 0 JFABRN O=C(Cc1ccc2c(c1)OCCO2)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000022227433 555886138 /nfs/dbraw/zinc/88/61/38/555886138.db2.gz URGGITHMEHLRJN-UHFFFAOYSA-N 0 0 458.580 2.970 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000022227660 555886479 /nfs/dbraw/zinc/88/64/79/555886479.db2.gz AQTIMCHHDXNDIV-UHFFFAOYSA-N 0 0 452.598 2.699 40 0 JFABRN COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000022227838 555886802 /nfs/dbraw/zinc/88/68/02/555886802.db2.gz INYHEDKZBQCMFG-UHFFFAOYSA-N 0 0 452.598 2.699 40 0 JFABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1cccc(Br)c1 ZINC000022228909 555887506 /nfs/dbraw/zinc/88/75/06/555887506.db2.gz PXRUUCAGVMDLGY-UHFFFAOYSA-N 0 0 494.411 2.921 40 0 JFABRN COc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl ZINC000022229270 555888082 /nfs/dbraw/zinc/88/80/82/555888082.db2.gz OYOCJUOWGMLZNB-UHFFFAOYSA-N 0 0 479.986 2.821 40 0 JFABRN COc1ccc(C)cc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000022229235 555888109 /nfs/dbraw/zinc/88/81/09/555888109.db2.gz IOQCGCKLIOOBEV-UHFFFAOYSA-N 0 0 473.595 2.912 40 0 JFABRN COc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000022229166 555888129 /nfs/dbraw/zinc/88/81/29/555888129.db2.gz HTORNIACPCDPEX-UHFFFAOYSA-N 0 0 459.568 2.604 40 0 JFABRN COc1ccc(OC)c(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 ZINC000022229319 555888373 /nfs/dbraw/zinc/88/83/73/555888373.db2.gz XCHDZIRUVYFCLG-UHFFFAOYSA-N 0 0 489.594 2.612 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000015270294 555891302 /nfs/dbraw/zinc/89/13/02/555891302.db2.gz XOZJRCZAEDLPKA-UHFFFAOYSA-N 0 0 473.576 2.527 40 0 JFABRN CN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246405 555896292 /nfs/dbraw/zinc/89/62/92/555896292.db2.gz HSDHEJMVWGOEKP-GOSISDBHSA-N 0 0 456.395 2.657 40 0 JFABRN COc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)CC1 ZINC000022246295 555896337 /nfs/dbraw/zinc/89/63/37/555896337.db2.gz OFKKPCLPODUMHU-HSZRJFAPSA-N 0 0 479.602 2.934 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022247014 555896951 /nfs/dbraw/zinc/89/69/51/555896951.db2.gz IRUSJWFKCNGFRF-OAQYLSRUSA-N 0 0 462.543 2.517 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1Cl ZINC000022248078 555898704 /nfs/dbraw/zinc/89/87/04/555898704.db2.gz HRIRDHCTAORUHA-YLJYHZDGSA-N 0 0 466.987 2.924 40 0 JFABRN COc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1OC ZINC000022250463 555900398 /nfs/dbraw/zinc/90/03/98/555900398.db2.gz JVTZEQDQDRJZPI-HNNXBMFYSA-N 0 0 498.985 2.634 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015579526 555916642 /nfs/dbraw/zinc/91/66/42/555916642.db2.gz NPZJOHBHQXQLTL-QGZVFWFLSA-N 0 0 495.598 2.650 40 0 JFABRN COc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000015621346 555920039 /nfs/dbraw/zinc/92/00/39/555920039.db2.gz ISUQMYKLWSANON-CQSZACIVSA-N 0 0 483.384 2.970 40 0 JFABRN CC(C)c1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000022330442 555922599 /nfs/dbraw/zinc/92/25/99/555922599.db2.gz HIZAHASOOLLZOO-INIZCTEOSA-N 0 0 452.598 2.857 40 0 JFABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(I)c1 ZINC000015717936 555954462 /nfs/dbraw/zinc/95/44/62/555954462.db2.gz KQMPNAROCFCZQU-UHFFFAOYSA-N 0 0 456.305 2.744 40 0 JFABRN O=C1Nc2c(cccc2C(F)(F)F)[C@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000012375020 555962201 /nfs/dbraw/zinc/96/22/01/555962201.db2.gz HYBOVSJRJVUKAN-LLSUNZGQSA-N 0 0 485.418 2.865 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000022865934 555962508 /nfs/dbraw/zinc/96/25/08/555962508.db2.gz LBBBPIAHCYMDOL-UHFFFAOYSA-N 0 0 474.004 2.775 40 0 JFABRN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016012084 556111051 /nfs/dbraw/zinc/11/10/51/556111051.db2.gz PQBZPXSNEYDBOO-VHBHIYPTSA-N 0 0 474.344 2.603 40 0 JFABRN NC(=S)C1=C(N)n2c(=O)c(=Cc3ccccc3)sc2=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000016451034 556139797 /nfs/dbraw/zinc/13/97/97/556139797.db2.gz JAVKNELOGNMKGX-ICFXLVBESA-N 0 0 495.629 2.983 40 0 JFABRN CCN(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(=O)(=O)c1cc(F)ccc1OC ZINC000016678332 556150556 /nfs/dbraw/zinc/15/05/56/556150556.db2.gz UQGYLBCBNTUPPU-UHFFFAOYSA-N 0 0 463.575 2.811 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(c3ccccc3F)CC2)cc1C ZINC000016678348 556150600 /nfs/dbraw/zinc/15/06/00/556150600.db2.gz NQCXEOKIIKRKIA-UHFFFAOYSA-N 0 0 463.575 2.892 40 0 JFABRN CCN(CC(=O)N1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016678360 556150673 /nfs/dbraw/zinc/15/06/73/556150673.db2.gz XYMJPZCCTYIAOK-UHFFFAOYSA-N 0 0 451.976 2.708 40 0 JFABRN CCOC(=O)c1cnc(SCC(=O)Nc2ccc(I)cc2C)nc1N ZINC000025135669 556180407 /nfs/dbraw/zinc/18/04/07/556180407.db2.gz KCDKJABODKRPMJ-UHFFFAOYSA-N 0 0 472.308 2.879 40 0 JFABRN CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013024466 556214253 /nfs/dbraw/zinc/21/42/53/556214253.db2.gz JGQAOSFTVQGUCN-QHCPKHFHSA-N 0 0 467.570 2.961 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccccc1)c1cccc(OC)c1 ZINC000013028437 556222233 /nfs/dbraw/zinc/22/22/33/556222233.db2.gz VADJBUSQJIILIV-SANMLTNESA-N 0 0 487.560 2.973 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1cc(OC)cc(OC)c1 ZINC000013029617 556224155 /nfs/dbraw/zinc/22/41/55/556224155.db2.gz DCPSXSSWZLALSY-VWLOTQADSA-N 0 0 495.580 2.724 40 0 JFABRN O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000026110915 556242894 /nfs/dbraw/zinc/24/28/94/556242894.db2.gz NKFXOFWDWWQGKC-UHFFFAOYSA-N 0 0 465.380 2.956 40 0 JFABRN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1OC ZINC000026112101 556243587 /nfs/dbraw/zinc/24/35/87/556243587.db2.gz DPWDXMZNDUPPGI-UHFFFAOYSA-N 0 0 495.623 2.810 40 0 JFABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)Oc2ccccc21 ZINC000026112839 556244169 /nfs/dbraw/zinc/24/41/69/556244169.db2.gz DZQHZJXKTZVVJW-OAQYLSRUSA-N 0 0 457.552 2.869 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064441 556261849 /nfs/dbraw/zinc/26/18/49/556261849.db2.gz AZJHSFUKERYONS-FQEVSTJZSA-N 0 0 496.568 2.745 40 0 JFABRN COCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 ZINC000013083613 556280437 /nfs/dbraw/zinc/28/04/37/556280437.db2.gz NDGVXDUOXBAZHP-LLVKDONJSA-N 0 0 451.314 2.634 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3cccc(C)c3)CC2)c(OC)c1 ZINC000013085342 556283818 /nfs/dbraw/zinc/28/38/18/556283818.db2.gz PTBKOFQBQUTVQI-HSZRJFAPSA-N 0 0 482.581 2.872 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000013085407 556284089 /nfs/dbraw/zinc/28/40/89/556284089.db2.gz ZRUSECLALPFVAM-OAQYLSRUSA-N 0 0 487.984 2.825 40 0 JFABRN COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc(OC)c1 ZINC000013085500 556284416 /nfs/dbraw/zinc/28/44/16/556284416.db2.gz GZKNZAMDSOYCFT-XMMPIXPASA-N 0 0 482.581 2.872 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](C(C)C)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019211174 556334108 /nfs/dbraw/zinc/33/41/08/556334108.db2.gz KBPKKAWTALTKQV-QHCPKHFHSA-N 0 0 468.627 2.928 40 0 JFABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4)CC3)cc2c1 ZINC000019220860 556334921 /nfs/dbraw/zinc/33/49/21/556334921.db2.gz NSGROZAMKTUHLH-RCZVLFRGSA-N 0 0 485.592 2.914 40 0 JFABRN Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c12 ZINC000019236402 556337092 /nfs/dbraw/zinc/33/70/92/556337092.db2.gz DZOGFCPFTIZXOT-OAQYLSRUSA-N 0 0 475.553 2.718 40 0 JFABRN COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC ZINC000029632497 556354571 /nfs/dbraw/zinc/35/45/71/556354571.db2.gz JBJDFMMRTIMSKS-UHFFFAOYSA-N 0 0 480.521 2.760 40 0 JFABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C)CC3)cc2c1 ZINC000019568185 556354861 /nfs/dbraw/zinc/35/48/61/556354861.db2.gz QQFWYYRMZFLVHZ-HSZRJFAPSA-N 0 0 461.545 2.656 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000019569211 556355353 /nfs/dbraw/zinc/35/53/53/556355353.db2.gz WMNAQNSDFUGAMG-DEOSSOPVSA-N 0 0 491.571 2.829 40 0 JFABRN COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000019592407 556355660 /nfs/dbraw/zinc/35/56/60/556355660.db2.gz BYCNFUAPZHZIRN-GIRPNKPCSA-N 0 0 486.480 2.640 40 0 JFABRN CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000029761761 556356565 /nfs/dbraw/zinc/35/65/65/556356565.db2.gz DBAAREKQOACPSI-UHFFFAOYSA-N 0 0 479.986 2.999 40 0 JFABRN CN(c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1)S(C)(=O)=O ZINC000030860934 556381457 /nfs/dbraw/zinc/38/14/57/556381457.db2.gz CNAGZSSIHYDAQP-HXUWFJFHSA-N 0 0 493.651 2.696 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 ZINC000030868416 556384101 /nfs/dbraw/zinc/38/41/01/556384101.db2.gz YHSVHZGSQZRWJW-SFHVURJKSA-N 0 0 452.916 2.991 40 0 JFABRN COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c(OC)c1OC ZINC000030872289 556385446 /nfs/dbraw/zinc/38/54/46/556385446.db2.gz KKAVNIRSDNMAMI-UHFFFAOYSA-N 0 0 462.568 2.958 40 0 JFABRN Cc1cc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000019823244 556393254 /nfs/dbraw/zinc/39/32/54/556393254.db2.gz MUNIPVOKPMOPHL-QFIPXVFZSA-N 0 0 472.655 2.723 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000019824427 556395382 /nfs/dbraw/zinc/39/53/82/556395382.db2.gz QQYKHLYLLJSWBE-UHFFFAOYSA-N 0 0 495.649 2.921 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000019824572 556395860 /nfs/dbraw/zinc/39/58/60/556395860.db2.gz SRQXZRIZOVSSHW-JOCHJYFZSA-N 0 0 488.654 2.505 40 0 JFABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c(Cl)c1 ZINC000032125377 556429627 /nfs/dbraw/zinc/42/96/27/556429627.db2.gz KQUQKXLKZULYNG-UHFFFAOYSA-N 0 0 467.016 2.857 40 0 JFABRN O=C(Nc1cccs1)N[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514288503 560034768 /nfs/dbraw/zinc/03/47/68/560034768.db2.gz GLCJYTQDSRIWRR-JENIJYKNSA-N 0 0 470.517 2.839 40 0 biogenic,in-vitro JFABRN COC(=O)COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2ccc(F)cc2)C[C@H]1C(C)C ZINC000077261636 560046690 /nfs/dbraw/zinc/04/66/90/560046690.db2.gz SZHYNSJPBZMXRP-ONTIZHBOSA-N 0 0 462.562 2.992 40 0 biogenic,in-vitro JFABRN C[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000067898919 560049634 /nfs/dbraw/zinc/04/96/34/560049634.db2.gz HUXLCPYMVXFVOH-PHCNURHLSA-N 0 0 499.696 2.622 40 0 biogenic,in-vitro JFABRN Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000067897631 560050297 /nfs/dbraw/zinc/05/02/97/560050297.db2.gz XJOIUCYNGGMLIP-MOPGFXCFSA-N 0 0 470.469 2.694 40 0 biogenic,in-vitro JFABRN CN1C[C@H](NC(=O)NC2CCCC2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O ZINC000096113390 560060515 /nfs/dbraw/zinc/06/05/15/560060515.db2.gz XDKBYPHNVPYZIM-OXQOHEQNSA-N 0 0 450.530 2.840 40 0 biogenic,in-vitro JFABRN COc1ccc(CN2C(=O)CO[C@H](c3ccc(NC(=O)C4CCOCC4)cc3)[C@H]2CO)cc1 ZINC000072321354 560076504 /nfs/dbraw/zinc/07/65/04/560076504.db2.gz UGQWQVSJHOEVCY-ISKFKSNPSA-N 0 0 454.523 2.521 40 0 biogenic,in-vitro JFABRN O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1)c1ccc2c(c1)OCO2 ZINC000072321259 560076689 /nfs/dbraw/zinc/07/66/89/560076689.db2.gz ZHASFSNKIAOURC-HYBUGGRVSA-N 0 0 461.474 2.524 40 0 biogenic,in-vitro JFABRN COc1cc(S(=O)(=O)NC[C@H](C)NS(=O)(=O)c2ccc(Cl)c(OC)c2)ccc1Cl ZINC000054363264 569590222 /nfs/dbraw/zinc/59/02/22/569590222.db2.gz QSHFBUYXGNAGOR-NSHDSACASA-N 0 0 483.395 2.656 40 0 JFABRN CCCCOCCCNC(=O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)[C@H](C)CC ZINC000059478086 569604902 /nfs/dbraw/zinc/60/49/02/569604902.db2.gz AMUSIYOPBWTCSE-AWWSKVOZSA-N 0 0 460.619 2.715 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1 ZINC000059816831 569607670 /nfs/dbraw/zinc/60/76/70/569607670.db2.gz RKQHXCRYWBNWQF-IIYDPXPESA-N 0 0 452.515 2.560 40 0 JFABRN COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@@H]2C[C@H](OC(=O)CC(C)=O)[C@H]1OC ZINC000061895086 569609283 /nfs/dbraw/zinc/60/92/83/569609283.db2.gz QBZQSENKKXVNNZ-FRZVYIKOSA-N 0 0 498.576 2.811 40 0 JFABRN COc1ccc(NC(=O)Cn2nc3n(c2=O)c2ccccc2c(=O)n3Cc2ccccc2)cc1 ZINC000064580735 569620531 /nfs/dbraw/zinc/62/05/31/569620531.db2.gz NBWPSOXMPHSSFB-UHFFFAOYSA-N 0 0 455.474 2.507 40 0 JFABRN COc1cc(NC(=O)Cn2nc3n(c2=O)c2ccccc2c(=O)n3CCc2ccccc2)cc(OC)c1 ZINC000064580804 569620724 /nfs/dbraw/zinc/62/07/24/569620724.db2.gz COXFOOBWSSPUBK-UHFFFAOYSA-N 0 0 499.527 2.710 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000033150858 569621757 /nfs/dbraw/zinc/62/17/57/569621757.db2.gz RCYMZOAOWWDMMT-OAHLLOKOSA-N 0 0 462.524 2.530 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cn([C@H](C)C(=O)OC)c4ccccc34)C2=O)o1 ZINC000033562096 569627915 /nfs/dbraw/zinc/62/79/15/569627915.db2.gz BNIGIQVVXDNTQG-OMJMQIJPSA-N 0 0 451.435 2.848 40 0 JFABRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OC)c1O[C@@H](C)C(=O)OC ZINC000033562970 569627958 /nfs/dbraw/zinc/62/79/58/569627958.db2.gz BWYZPWUEVGXJNT-DZBQEORWSA-N 0 0 498.488 2.837 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccccc2)cc1Cl ZINC000033625286 569629098 /nfs/dbraw/zinc/62/90/98/569629098.db2.gz ASAWDTYLQMKMSA-KRWDZBQOSA-N 0 0 452.960 2.835 40 0 JFABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 ZINC000033762249 569633920 /nfs/dbraw/zinc/63/39/20/569633920.db2.gz XXQSWPSGFNBJMW-LJQANCHMSA-N 0 0 469.567 2.635 40 0 JFABRN COc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@@H]23)[C@@H]2C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]42)cc1OC ZINC000033821776 569635611 /nfs/dbraw/zinc/63/56/11/569635611.db2.gz TVMGXNWVTCMLQN-VOUFVQIRSA-N 0 0 476.485 2.804 40 0 JFABRN CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937059 569638280 /nfs/dbraw/zinc/63/82/80/569638280.db2.gz YTMFZPDRPPWYBJ-KNQAVFIVSA-N 0 0 454.575 2.646 40 0 JFABRN Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)N(Cc4ccccc4F)[C@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@]2(C)O4)no1 ZINC000033939907 569639233 /nfs/dbraw/zinc/63/92/33/569639233.db2.gz UGZBXOLTQWMBEM-PRRCRQMASA-N 0 0 496.539 2.716 40 0 JFABRN COc1ccc(C(=O)Cn2nc3n(c2=O)c2ccccc2c(=O)n3Cc2ccc(F)cc2)cc1 ZINC000064860609 569639508 /nfs/dbraw/zinc/63/95/08/569639508.db2.gz SHAXFSIBCCSFLE-UHFFFAOYSA-N 0 0 458.449 2.890 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OC(C)=O)C2=O)o1 ZINC000034856920 569667366 /nfs/dbraw/zinc/66/73/66/569667366.db2.gz NPXDANZETUZLGM-MLPAPPSSSA-N 0 0 463.786 2.646 40 0 JFABRN CC1(C)[C@@H](CC(=O)N[C@H](O)C(Cl)(Cl)Cl)C[C@@H]1C(=O)N[C@H](O)C(Cl)(Cl)Cl ZINC000035181698 569677608 /nfs/dbraw/zinc/67/76/08/569677608.db2.gz OGTLIIHRGUPOEW-SXILTZBTSA-N 0 0 479.015 2.648 40 0 JFABRN O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000035362938 569682505 /nfs/dbraw/zinc/68/25/05/569682505.db2.gz INSOEGISNFOBEP-AYFLJRIOSA-N 0 0 465.893 2.542 40 0 JFABRN CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000072337910 569703446 /nfs/dbraw/zinc/70/34/46/569703446.db2.gz DUVMBMJPOWUXAH-MRXNPFEDSA-N 0 0 479.487 2.573 40 0 JFABRN COc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)c4ccsc4)CC3)O2)c1 ZINC000096036653 569732246 /nfs/dbraw/zinc/73/22/46/569732246.db2.gz BCXKQHZXJMYHCN-HXUWFJFHSA-N 0 0 466.563 2.800 40 0 JFABRN COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)c4ccoc4C)CC3)O2)cc1 ZINC000096062617 569732489 /nfs/dbraw/zinc/73/24/89/569732489.db2.gz BXBHGGDBPZBFBI-OAQYLSRUSA-N 0 0 464.522 2.640 40 0 JFABRN CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccn3)c3ccc(C(=O)N4CCC(O)CC4)cc32)n1 ZINC000096156423 569736766 /nfs/dbraw/zinc/73/67/66/569736766.db2.gz CEJNGBHRJYBZMT-HXUWFJFHSA-N 0 0 460.538 2.643 40 0 JFABRN CCCNC(=O)Cn1c(=O)/c(=C\c2cccc(C(F)(F)F)c2)s/c1=C/C(=O)C(C)(C)C ZINC000097993965 569748829 /nfs/dbraw/zinc/74/88/29/569748829.db2.gz ZVTCXMOXFFOIHG-XZUNHOGQSA-N 0 0 454.514 2.679 40 0 JFABRN COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000100421472 569759827 /nfs/dbraw/zinc/75/98/27/569759827.db2.gz OZRQGFYSBQVKDI-UKDJSQQHSA-N 0 0 484.574 2.819 40 0 JFABRN CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@H]1CC(=O)NC1=O ZINC000100497639 569762479 /nfs/dbraw/zinc/76/24/79/569762479.db2.gz AYROAHKCSCARGF-RTWAWAEBSA-N 0 0 450.491 2.898 40 0 JFABRN Cc1cccc(N2CCN(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c1C ZINC000036646466 569779698 /nfs/dbraw/zinc/77/96/98/569779698.db2.gz YKKIBURJPOXIFS-UHFFFAOYSA-N 0 0 456.612 2.849 40 0 JFABRN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H](C(=O)NC[C@H]3CCCO3)C(C)C)CC2)cc1 ZINC000101445641 569797608 /nfs/dbraw/zinc/79/76/08/569797608.db2.gz HLDFAXNGOPGCDK-ADYITMSISA-N 0 0 493.670 2.516 40 0 JFABRN C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000101472446 569799031 /nfs/dbraw/zinc/79/90/31/569799031.db2.gz SLBQEGQZOZPLTO-OKZBNKHCSA-N 0 0 487.578 2.643 40 0 JFABRN COc1ccc(OC)c(NC(=O)CNC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)c1 ZINC000101488663 569799540 /nfs/dbraw/zinc/79/95/40/569799540.db2.gz FBTRPCREPDATJV-HDICACEKSA-N 0 0 489.594 2.543 40 0 JFABRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000038140891 569799555 /nfs/dbraw/zinc/79/95/55/569799555.db2.gz JASYOPOIUHUBJK-FKBQNGPVSA-N 0 0 464.643 2.850 40 0 biogenic JFABRN CCOc1ccc(NC(=O)COc2ccc([C@@H]3CC(=O)N=C4NC=NN43)cc2OCC)cc1 ZINC000038188030 569800474 /nfs/dbraw/zinc/80/04/74/569800474.db2.gz ZJUILCXRUMMTMI-SFHVURJKSA-N 0 0 451.483 2.677 40 0 JFABRN Cc1cc(NC(=O)COc2cccc([C@H]3CC(=O)N=C4NC=NN43)c2)ccc1Br ZINC000038199405 569800598 /nfs/dbraw/zinc/80/05/98/569800598.db2.gz UGJUMQHTQLIHKQ-QGZVFWFLSA-N 0 0 456.300 2.951 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(CN2CCOCC2)c1 ZINC000038772902 569807794 /nfs/dbraw/zinc/80/77/94/569807794.db2.gz MOYMTYZYHLLBIC-UHFFFAOYSA-N 0 0 473.595 2.954 40 0 JFABRN O=C1C[C@@H](c2cccc(Cl)c2)Cc2c1cnc1nc(NCCN3CCOCC3)[nH]c(=O)c12 ZINC000038829514 569808471 /nfs/dbraw/zinc/80/84/71/569808471.db2.gz JTIONIYMNBQTNC-HNNXBMFYSA-N 0 0 453.930 2.628 40 0 JFABRN CCN1C(=O)C(=Cc2cn(CC(=O)NC[C@H]3CCCO3)c3ccc(Br)cc23)NC1=S ZINC000039556752 569810704 /nfs/dbraw/zinc/81/07/04/569810704.db2.gz HFZPDOZIGYBASO-TUBDAXHVSA-N 0 0 491.411 2.777 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000039985816 569813166 /nfs/dbraw/zinc/81/31/66/569813166.db2.gz HXODCAZJFJCCFV-RMKNXTFCSA-N 0 0 457.596 2.611 40 0 JFABRN C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 ZINC000040389014 569824679 /nfs/dbraw/zinc/82/46/79/569824679.db2.gz NFSBORBXHQFVKS-FZMZJTMJSA-N 0 0 460.332 2.976 40 0 JFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)CC(=O)N2 ZINC000040390540 569825131 /nfs/dbraw/zinc/82/51/31/569825131.db2.gz GOWFFJGARZCUAZ-GJZGRUSLSA-N 0 0 485.541 2.629 40 0 JFABRN COCc1nn2c(nnc3c2ccn(NC(=O)c2cccnc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396213 569825623 /nfs/dbraw/zinc/82/56/23/569825623.db2.gz VMOKALLEOZJDGA-UHFFFAOYSA-N 0 0 461.869 2.685 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[nH]c(=O)c32)cc1 ZINC000040399849 569827002 /nfs/dbraw/zinc/82/70/02/569827002.db2.gz ZTGRSDCUWSNTAJ-QGZVFWFLSA-N 0 0 477.477 2.763 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[nH]c(=O)c32)cc1 ZINC000040400041 569827203 /nfs/dbraw/zinc/82/72/03/569827203.db2.gz ZYLKFGCUSRSASW-OAHLLOKOSA-N 0 0 477.477 2.763 40 0 JFABRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1 ZINC000046899468 569845216 /nfs/dbraw/zinc/84/52/16/569845216.db2.gz VMNHRTXINBSCDJ-UHFFFAOYSA-N 0 0 456.539 2.932 40 0 JFABRN CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC ZINC000106758418 569855624 /nfs/dbraw/zinc/85/56/24/569855624.db2.gz VVNABUOYEXYSTG-PDGQHHTCSA-N 0 0 462.524 2.686 40 0 JFABRN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000107613323 569856750 /nfs/dbraw/zinc/85/67/50/569856750.db2.gz DIIVNOYSMKCVGP-LJQANCHMSA-N 0 0 469.567 2.809 40 0 JFABRN CCOc1ccccc1NC(=O)CSc1nnc([C@H](CO)NC(=O)c2ccc(OC)cc2)n1CC ZINC000107783997 569857404 /nfs/dbraw/zinc/85/74/04/569857404.db2.gz XXJSKDVINRRDGA-IBGZPJMESA-N 0 0 499.593 2.900 40 0 JFABRN CCc1cccc(C)c1NC(=O)CSc1nnc([C@H](CO)NC(=O)c2ccc(OC)cc2)n1C ZINC000108160794 569858855 /nfs/dbraw/zinc/85/88/55/569858855.db2.gz IYSSHKACNIAZFE-IBGZPJMESA-N 0 0 483.594 2.889 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3OC(C)=O)C2=O)o1 ZINC000108223946 569859105 /nfs/dbraw/zinc/85/91/05/569859105.db2.gz WZZIIAFRXQVXSS-VGOFMYFVSA-N 0 0 493.266 2.856 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OC)c(OC)c3)C2=O)o1 ZINC000108287300 569859405 /nfs/dbraw/zinc/85/94/05/569859405.db2.gz GESUWEPXRPGCGH-QPEQYQDCSA-N 0 0 465.256 2.939 40 0 JFABRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000108320951 569859446 /nfs/dbraw/zinc/85/94/46/569859446.db2.gz KDJUOWMZZHQAEX-ARWBCWGVSA-N 0 0 466.600 2.725 40 0 JFABRN CCOC(=O)Cn1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c2ccccc21 ZINC000108945311 569859934 /nfs/dbraw/zinc/85/99/34/569859934.db2.gz KJYADKBPEULERA-YVLHZVERSA-N 0 0 451.435 2.677 40 0 JFABRN CCOC(=O)COc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)cc1OC ZINC000108984885 569860182 /nfs/dbraw/zinc/86/01/82/569860182.db2.gz ALNXJESDSPCYBP-NVNXTCNLSA-N 0 0 492.868 2.763 40 0 JFABRN Cc1cc(C)cc(N(CCCC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)c1 ZINC000113967843 569862717 /nfs/dbraw/zinc/86/27/17/569862717.db2.gz DVALNTGXSASFLD-UHFFFAOYSA-N 0 0 473.595 2.961 40 0 JFABRN COC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C[C@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@H]3CC[C@]12C ZINC000118923327 569863681 /nfs/dbraw/zinc/86/36/81/569863681.db2.gz LGILGNKVRXMEMW-JEWVLIIWSA-N 0 0 466.571 2.523 40 0 JFABRN CO[C@@H]1O[C@@]23CC[C@@]4(O)C[C@H](OC(C)=O)CC[C@@]14[C@H]2CC[C@@]1(C)[C@H]3CC[C@@H]1C(=O)COC(C)=O ZINC000119197770 569864217 /nfs/dbraw/zinc/86/42/17/569864217.db2.gz KEOOAUOUZQFIKC-OXOXVKIZSA-N 0 0 478.582 2.930 40 0 JFABRN COC(=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(O)[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000123309837 569864313 /nfs/dbraw/zinc/86/43/13/569864313.db2.gz ISPHXQUMAWDLMY-ZTIFRZFTSA-N 0 0 464.555 2.586 40 0 JFABRN CSCC[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(=O)NCc1ccc(C)cc1 ZINC000136567206 569864671 /nfs/dbraw/zinc/86/46/71/569864671.db2.gz AQZOYBCFMJQFTG-HBMCJLEFSA-N 0 0 468.623 2.724 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 ZINC000138569698 569865919 /nfs/dbraw/zinc/86/59/19/569865919.db2.gz WNCSLLGFHIZPPW-OAHLLOKOSA-N 0 0 463.412 2.689 40 0 JFABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2cc(OC)cc(OC)c2)C1 ZINC000138772723 569866400 /nfs/dbraw/zinc/86/64/00/569866400.db2.gz WHYGCKGJGSQYHD-IBGZPJMESA-N 0 0 497.548 2.504 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 ZINC000138872537 569866513 /nfs/dbraw/zinc/86/65/13/569866513.db2.gz FJWIJYGXZLPYAM-QGZVFWFLSA-N 0 0 454.479 2.795 40 0 JFABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N3)C1 ZINC000139076827 569866989 /nfs/dbraw/zinc/86/69/89/569866989.db2.gz ONHWUSZHQGLPCY-SMDDNHRTSA-N 0 0 460.332 2.833 40 0 JFABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@H](C)C3)[nH]c(=O)c21 ZINC000139073976 569867025 /nfs/dbraw/zinc/86/70/25/569867025.db2.gz UYOVUKWBGPHMJY-MBNYWOFBSA-N 0 0 459.934 2.979 40 0 JFABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)CC(=O)N3)C1 ZINC000139080155 569867026 /nfs/dbraw/zinc/86/70/26/569867026.db2.gz HLKKPCNYGUNTCQ-SMDDNHRTSA-N 0 0 465.432 2.969 40 0 JFABRN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000169294058 569868126 /nfs/dbraw/zinc/86/81/26/569868126.db2.gz KDJUOWMZZHQAEX-ZZAJSIFASA-N 0 0 466.600 2.725 40 0 JFABRN COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1Br ZINC000205706382 569874175 /nfs/dbraw/zinc/87/41/75/569874175.db2.gz FYZWPDAGZBBUQZ-VGOFMYFVSA-N 0 0 472.313 2.989 40 0 JFABRN Cc1ccc(C)c(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(=O)(=O)N(C)C)c1 ZINC000216220625 569877886 /nfs/dbraw/zinc/87/78/86/569877886.db2.gz CRJUDRDMRLHXIM-DHZHZOJOSA-N 0 0 470.639 2.774 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1cccc(Br)c1 ZINC000216302888 569878250 /nfs/dbraw/zinc/87/82/50/569878250.db2.gz QVVLIWGTSVMCOD-UHFFFAOYSA-N 0 0 463.357 2.717 40 0 JFABRN CCOc1ccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1OCC ZINC000216431372 569878879 /nfs/dbraw/zinc/87/88/79/569878879.db2.gz OPPHNAGFRCQFSK-UHFFFAOYSA-N 0 0 453.536 2.552 40 0 JFABRN CCOC(=O)C1(C(=O)OCC)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000218166942 569882976 /nfs/dbraw/zinc/88/29/76/569882976.db2.gz XNFRXDBJEXUFMX-WOJBJXKFSA-N 0 0 460.504 2.776 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000222414410 569884146 /nfs/dbraw/zinc/88/41/46/569884146.db2.gz GZMPNOHSLFCQNI-INIZCTEOSA-N 0 0 485.528 2.943 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222428112 569884257 /nfs/dbraw/zinc/88/42/57/569884257.db2.gz MWLDWDCLVNEYPZ-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222437958 569884341 /nfs/dbraw/zinc/88/43/41/569884341.db2.gz HWDXNHXHVYASLJ-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222446934 569884346 /nfs/dbraw/zinc/88/43/46/569884346.db2.gz ASDLQSWWGSXOSK-BDTNDASRSA-N 0 0 453.583 2.968 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222458956 569884395 /nfs/dbraw/zinc/88/43/95/569884395.db2.gz QAVGVDPYQDGZNH-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000222459383 569884408 /nfs/dbraw/zinc/88/44/08/569884408.db2.gz MHRACTSZKSWBJI-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222459169 569884412 /nfs/dbraw/zinc/88/44/12/569884412.db2.gz PMTUYPAWHGBGHP-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000222459603 569884435 /nfs/dbraw/zinc/88/44/35/569884435.db2.gz BZGPXLJIMBBCEP-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000222462723 569884440 /nfs/dbraw/zinc/88/44/40/569884440.db2.gz SJYOHVVPUFMTIJ-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222461171 569884461 /nfs/dbraw/zinc/88/44/61/569884461.db2.gz ABIQKKOEUIKBLP-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222512121 569885018 /nfs/dbraw/zinc/88/50/18/569885018.db2.gz VPOCNGIUMZPQHI-INIZCTEOSA-N 0 0 466.003 2.832 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000222551533 569885658 /nfs/dbraw/zinc/88/56/58/569885658.db2.gz UNDDIFRRSQJHMN-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222552349 569885668 /nfs/dbraw/zinc/88/56/68/569885668.db2.gz GDWSBGWREGYVPK-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN COc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 ZINC000222566795 569885912 /nfs/dbraw/zinc/88/59/12/569885912.db2.gz WWETUYXCDBJUPR-GOSISDBHSA-N 0 0 462.568 2.772 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222577310 569886186 /nfs/dbraw/zinc/88/61/86/569886186.db2.gz LZDKCGYYERGKJV-AWEZNQCLSA-N 0 0 472.394 2.777 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222581438 569886300 /nfs/dbraw/zinc/88/63/00/569886300.db2.gz VOFAJELSYVNGJI-LJQANCHMSA-N 0 0 491.997 2.817 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000222601439 569886697 /nfs/dbraw/zinc/88/66/97/569886697.db2.gz WJGPKDLADBMNGU-QGZVFWFLSA-N 0 0 463.575 2.878 40 0 JFABRN COC(=O)c1cn(C(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c2ccccc12 ZINC000222604313 569886839 /nfs/dbraw/zinc/88/68/39/569886839.db2.gz WBHMPLMWUWPHQW-AWEZNQCLSA-N 0 0 458.492 2.694 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222604904 569886848 /nfs/dbraw/zinc/88/68/48/569886848.db2.gz RAOFCYYQAWFZCE-OAHLLOKOSA-N 0 0 469.966 2.717 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222613886 569886998 /nfs/dbraw/zinc/88/69/98/569886998.db2.gz CQZORRUEDRDNDP-UGKGYDQZSA-N 0 0 499.633 2.986 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222621202 569887171 /nfs/dbraw/zinc/88/71/71/569887171.db2.gz AWFZUWJBRSWHJU-NRFANRHFSA-N 0 0 463.575 2.924 40 0 JFABRN COc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000222622684 569887180 /nfs/dbraw/zinc/88/71/80/569887180.db2.gz JVIUEHIZIVQFAJ-QGZVFWFLSA-N 0 0 450.532 2.902 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222626143 569887233 /nfs/dbraw/zinc/88/72/33/569887233.db2.gz FORKGCZTYIUNJD-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222628375 569887285 /nfs/dbraw/zinc/88/72/85/569887285.db2.gz BGWJZHDWJCKHLA-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222629036 569887299 /nfs/dbraw/zinc/88/72/99/569887299.db2.gz QJTLEJHVQJXWNP-MRXNPFEDSA-N 0 0 467.538 2.674 40 0 JFABRN COC(=O)c1cn(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c2ccccc12 ZINC000222630253 569887367 /nfs/dbraw/zinc/88/73/67/569887367.db2.gz OWIBGFWFBKFMAS-UHFFFAOYSA-N 0 0 475.954 2.706 40 0 JFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000222658437 569887868 /nfs/dbraw/zinc/88/78/68/569887868.db2.gz BORZNJKLNUKWNP-MRXNPFEDSA-N 0 0 480.583 2.827 40 0 JFABRN C[C@H](NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222667402 569888030 /nfs/dbraw/zinc/88/80/30/569888030.db2.gz DGUBJACETWVJKS-ZDUSSCGKSA-N 0 0 469.357 2.864 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C3(C(=O)OCC)CC3)cc2)cc1 ZINC000222667050 569888053 /nfs/dbraw/zinc/88/80/53/569888053.db2.gz SVCLBLKHGOHFCP-UHFFFAOYSA-N 0 0 460.552 2.987 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c2ccccc2O1 ZINC000222677415 569888258 /nfs/dbraw/zinc/88/82/58/569888258.db2.gz MJTRBJPYRJXUGZ-QFIPXVFZSA-N 0 0 482.514 2.833 40 0 JFABRN Cc1nc(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)n[nH]1 ZINC000222680286 569888304 /nfs/dbraw/zinc/88/83/04/569888304.db2.gz MRMBVXYOGDIDNV-UHFFFAOYSA-N 0 0 475.596 2.818 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc[nH]n3)cc2)cc1C ZINC000222680196 569888312 /nfs/dbraw/zinc/88/83/12/569888312.db2.gz FSPGZSQYYSSBTR-UHFFFAOYSA-N 0 0 461.569 2.510 40 0 JFABRN C[C@@H](NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222692070 569888717 /nfs/dbraw/zinc/88/87/17/569888717.db2.gz KWQKEPFRUFCSSP-OAHLLOKOSA-N 0 0 462.524 2.610 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222719643 569889517 /nfs/dbraw/zinc/88/95/17/569889517.db2.gz VIZMPOCEENNCTC-BMFZPTHFSA-N 0 0 466.365 2.798 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(OCC(=O)NCCNc2ccnc3cc(Cl)ccc32)cc1 ZINC000222758325 569890470 /nfs/dbraw/zinc/89/04/70/569890470.db2.gz GWEIWGOBWULHGK-UHFFFAOYSA-N 0 0 462.959 2.746 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222766898 569890570 /nfs/dbraw/zinc/89/05/70/569890570.db2.gz XXKQVTDQNJEJFP-SOUVJXGZSA-N 0 0 466.365 2.798 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222767978 569890627 /nfs/dbraw/zinc/89/06/27/569890627.db2.gz ASFVSKBZLIDVAY-FQEVSTJZSA-N 0 0 488.654 2.940 40 0 JFABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000222770618 569890658 /nfs/dbraw/zinc/89/06/58/569890658.db2.gz WZHUPEARDWJAFY-UHFFFAOYSA-N 0 0 473.595 2.864 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1ccc(CC(N)=O)cc1 ZINC000222780390 569890921 /nfs/dbraw/zinc/89/09/21/569890921.db2.gz PIUDLZVJDNOGSK-UHFFFAOYSA-N 0 0 479.558 2.792 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222797189 569891321 /nfs/dbraw/zinc/89/13/21/569891321.db2.gz GZFZDWCVMKADTG-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc[nH]n3)c(C)c2)cc1C ZINC000222810613 569891719 /nfs/dbraw/zinc/89/17/19/569891719.db2.gz GALHZZMJKBYPRV-UHFFFAOYSA-N 0 0 475.596 2.818 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222818255 569891862 /nfs/dbraw/zinc/89/18/62/569891862.db2.gz QPGBVBLDLFYOJA-SFHVURJKSA-N 0 0 483.590 2.632 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(I)cc1 ZINC000222818683 569891919 /nfs/dbraw/zinc/89/19/19/569891919.db2.gz DNLLQZFADLTWNW-AWEZNQCLSA-N 0 0 482.318 2.842 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)s1 ZINC000222823849 569891998 /nfs/dbraw/zinc/89/19/98/569891998.db2.gz SDCRBVJYCLKIOW-UHFFFAOYSA-N 0 0 479.005 2.642 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1ccc2sncc2c1 ZINC000222831020 569892114 /nfs/dbraw/zinc/89/21/14/569892114.db2.gz OOHYNYAWIOWHAG-UHFFFAOYSA-N 0 0 467.956 2.988 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000222850544 569892692 /nfs/dbraw/zinc/89/26/92/569892692.db2.gz COWRFLXTHBPSIV-UHFFFAOYSA-N 0 0 467.613 2.503 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000222865953 569893076 /nfs/dbraw/zinc/89/30/76/569893076.db2.gz VWWGZXUIIDJBIQ-UHFFFAOYSA-N 0 0 451.548 2.764 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222867466 569893101 /nfs/dbraw/zinc/89/31/01/569893101.db2.gz REVDBRFKKIRJID-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222891386 569893728 /nfs/dbraw/zinc/89/37/28/569893728.db2.gz ZFEGBFRECFWJMM-KRWDZBQOSA-N 0 0 466.003 2.620 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222893037 569893767 /nfs/dbraw/zinc/89/37/67/569893767.db2.gz XGGIUNNNHGJESP-HNNXBMFYSA-N 0 0 486.421 2.965 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000222892878 569893802 /nfs/dbraw/zinc/89/38/02/569893802.db2.gz JIMONQLYBQRSRV-HNNXBMFYSA-N 0 0 486.421 2.965 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000222905858 569894075 /nfs/dbraw/zinc/89/40/75/569894075.db2.gz DTSDQAQSKVNNOA-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000222911612 569894170 /nfs/dbraw/zinc/89/41/70/569894170.db2.gz JTRNHRVZDYEWFJ-HXUWFJFHSA-N 0 0 459.612 2.747 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222913932 569894225 /nfs/dbraw/zinc/89/42/25/569894225.db2.gz KHDWAMONGKIOQK-QFIPXVFZSA-N 0 0 459.612 2.827 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222916410 569894320 /nfs/dbraw/zinc/89/43/20/569894320.db2.gz HSIQZKAFKCYRQG-HSZRJFAPSA-N 0 0 489.638 2.836 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222924662 569894537 /nfs/dbraw/zinc/89/45/37/569894537.db2.gz ZOQSFPJQVHZKDK-QFIPXVFZSA-N 0 0 477.602 2.966 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222926137 569894597 /nfs/dbraw/zinc/89/45/97/569894597.db2.gz GPXDFNOKNGGERE-MRXNPFEDSA-N 0 0 499.008 2.645 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)NCCCOC ZINC000222930746 569894714 /nfs/dbraw/zinc/89/47/14/569894714.db2.gz ZPWHFDKPRZOIPD-OAQYLSRUSA-N 0 0 477.583 2.645 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222937846 569894938 /nfs/dbraw/zinc/89/49/38/569894938.db2.gz TUOQRNYIHPJGKV-IBGZPJMESA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000222939018 569894969 /nfs/dbraw/zinc/89/49/69/569894969.db2.gz BIGSIWKNMVSETA-SFHVURJKSA-N 0 0 496.427 2.769 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000222939090 569894982 /nfs/dbraw/zinc/89/49/82/569894982.db2.gz BIGSIWKNMVSETA-GOSISDBHSA-N 0 0 496.427 2.769 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000222952001 569895291 /nfs/dbraw/zinc/89/52/91/569895291.db2.gz LJVFDVHQKMZFEG-SFHVURJKSA-N 0 0 463.575 2.762 40 0 JFABRN COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H](C)C(=O)NCCN2CCOCC2)cc1 ZINC000222957538 569895423 /nfs/dbraw/zinc/89/54/23/569895423.db2.gz KTWPSAHRDWFRPR-IBGZPJMESA-N 0 0 490.000 2.593 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222964273 569895626 /nfs/dbraw/zinc/89/56/26/569895626.db2.gz YADQPDFVRPCLMT-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000222971779 569895846 /nfs/dbraw/zinc/89/58/46/569895846.db2.gz RYIOOJNWEQBXDY-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000222975050 569895883 /nfs/dbraw/zinc/89/58/83/569895883.db2.gz UHMFHQZFVOVCRE-GOSISDBHSA-N 0 0 463.575 2.925 40 0 JFABRN CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000222976461 569895925 /nfs/dbraw/zinc/89/59/25/569895925.db2.gz NRQCOBADDQPXAL-FQEVSTJZSA-N 0 0 462.593 2.819 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222985734 569896212 /nfs/dbraw/zinc/89/62/12/569896212.db2.gz CTHJROCGZWJDRB-IBGZPJMESA-N 0 0 492.617 2.772 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222992785 569896395 /nfs/dbraw/zinc/89/63/95/569896395.db2.gz KSZGAYDKJHXDEL-JOCHJYFZSA-N 0 0 473.595 2.517 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222995125 569896487 /nfs/dbraw/zinc/89/64/87/569896487.db2.gz FZSLRNLGYGSDBV-HXUWFJFHSA-N 0 0 467.538 2.593 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222998499 569896499 /nfs/dbraw/zinc/89/64/99/569896499.db2.gz KOAITILNBQCOGF-QFIPXVFZSA-N 0 0 488.654 2.778 40 0 JFABRN CCc1ccc(N(CCCC(=O)Nc2nnc(SCC(=O)OC)s2)S(C)(=O)=O)cc1 ZINC000223026001 569897098 /nfs/dbraw/zinc/89/70/98/569897098.db2.gz CJYOZUCCZSMSGD-UHFFFAOYSA-N 0 0 472.614 2.551 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223025511 569897125 /nfs/dbraw/zinc/89/71/25/569897125.db2.gz JBCGHFLRYKFUNS-OAQYLSRUSA-N 0 0 488.654 2.941 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223029226 569897203 /nfs/dbraw/zinc/89/72/03/569897203.db2.gz LRVYGNBVZWUBBM-IBGZPJMESA-N 0 0 466.003 2.968 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)NC)S(C)(=O)=O ZINC000223028988 569897211 /nfs/dbraw/zinc/89/72/11/569897211.db2.gz JETPGTSYGLHCHR-NRFANRHFSA-N 0 0 459.612 2.877 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 ZINC000223063049 569898228 /nfs/dbraw/zinc/89/82/28/569898228.db2.gz SEOUUXRNFGVSGY-HNNXBMFYSA-N 0 0 464.540 2.856 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)NC)S(C)(=O)=O ZINC000223076779 569898715 /nfs/dbraw/zinc/89/87/15/569898715.db2.gz MYZWNOGMNDXHHM-FQEVSTJZSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223077986 569898787 /nfs/dbraw/zinc/89/87/87/569898787.db2.gz CAVIQWUXCDFJDA-IBGZPJMESA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223079798 569898858 /nfs/dbraw/zinc/89/88/58/569898858.db2.gz BQSFSZXGAJFCBA-OAQYLSRUSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223091654 569899178 /nfs/dbraw/zinc/89/91/78/569899178.db2.gz AHOWIZPAPXHIFR-JOCHJYFZSA-N 0 0 488.654 2.778 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000223111491 569899681 /nfs/dbraw/zinc/89/96/81/569899681.db2.gz BGQSAEMBFZUQTM-UHFFFAOYSA-N 0 0 459.568 2.753 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223122436 569900129 /nfs/dbraw/zinc/90/01/29/569900129.db2.gz GWPNLNPGKITDMS-HXUWFJFHSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223126078 569900275 /nfs/dbraw/zinc/90/02/75/569900275.db2.gz GHDRYGPDJUSJKX-BWPNAZKDSA-N 0 0 457.546 2.799 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223137375 569900732 /nfs/dbraw/zinc/90/07/32/569900732.db2.gz QRXWZKVJUVAWHH-HXUWFJFHSA-N 0 0 499.008 2.645 40 0 JFABRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 ZINC000223165287 569901724 /nfs/dbraw/zinc/90/17/24/569901724.db2.gz ITUGTMKNLXJXJG-RPWUZVMVSA-N 0 0 491.617 2.964 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223166912 569901778 /nfs/dbraw/zinc/90/17/78/569901778.db2.gz BEPKFYPVTQUBMS-FQEVSTJZSA-N 0 0 482.002 2.668 40 0 JFABRN CC(C)CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223187979 569902706 /nfs/dbraw/zinc/90/27/06/569902706.db2.gz JOHOHKPBARQHQO-QHCPKHFHSA-N 0 0 491.629 2.819 40 0 JFABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000223204689 569903397 /nfs/dbraw/zinc/90/33/97/569903397.db2.gz SPYQIKKNSSFXIE-XMMPIXPASA-N 0 0 455.574 2.870 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000223207154 569903491 /nfs/dbraw/zinc/90/34/91/569903491.db2.gz OWUOTBIGJFELCW-UHFFFAOYSA-N 0 0 468.959 2.853 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223216815 569903829 /nfs/dbraw/zinc/90/38/29/569903829.db2.gz RSMBJLZEFRMWGS-MRXNPFEDSA-N 0 0 491.997 2.818 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223219968 569903863 /nfs/dbraw/zinc/90/38/63/569903863.db2.gz HRCYPOIPGRVQMM-LJQANCHMSA-N 0 0 487.956 2.938 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223234449 569904377 /nfs/dbraw/zinc/90/43/77/569904377.db2.gz GGRBJMIQJXOPAU-HXUWFJFHSA-N 0 0 493.601 2.934 40 0 JFABRN C[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223248545 569904867 /nfs/dbraw/zinc/90/48/67/569904867.db2.gz NXLBRGLVFJXGHS-INIZCTEOSA-N 0 0 452.523 2.984 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000223279359 569905942 /nfs/dbraw/zinc/90/59/42/569905942.db2.gz LNLCKUXAZOXCLK-UHFFFAOYSA-N 0 0 464.931 2.678 40 0 JFABRN Cc1ccc(NC(=O)COc2cccc3c2CCCC3)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000223302820 569906705 /nfs/dbraw/zinc/90/67/05/569906705.db2.gz MOAWNUNWKIQRCL-UHFFFAOYSA-N 0 0 457.596 2.827 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c(C)c1 ZINC000223312393 569907032 /nfs/dbraw/zinc/90/70/32/569907032.db2.gz OAYFEEBQWYUMDP-UHFFFAOYSA-N 0 0 490.578 2.773 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(CN2CCCC2=O)cc1)c1ccccc1F ZINC000223340376 569908043 /nfs/dbraw/zinc/90/80/43/569908043.db2.gz QWRNHDZUNDEABJ-UHFFFAOYSA-N 0 0 461.559 2.811 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223387280 569909518 /nfs/dbraw/zinc/90/95/18/569909518.db2.gz ZINKBYZFYXGNDU-QFIPXVFZSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223391622 569909657 /nfs/dbraw/zinc/90/96/57/569909657.db2.gz MYWZFPLULQEXEC-NRFANRHFSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223391032 569909671 /nfs/dbraw/zinc/90/96/71/569909671.db2.gz QBJYCWLXRFUMOP-NRFANRHFSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223453448 569911873 /nfs/dbraw/zinc/91/18/73/569911873.db2.gz JNBIFQYPXUPIMY-QFIPXVFZSA-N 0 0 475.611 2.649 40 0 JFABRN C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223463375 569912157 /nfs/dbraw/zinc/91/21/57/569912157.db2.gz XSIIRBSIFVJKHY-ZDUSSCGKSA-N 0 0 458.458 2.948 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223473689 569912504 /nfs/dbraw/zinc/91/25/04/569912504.db2.gz PLFKGXZHUSNWQO-JOCHJYFZSA-N 0 0 459.612 2.665 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223474139 569912520 /nfs/dbraw/zinc/91/25/20/569912520.db2.gz YIWDXLRGKTZZFG-IBGZPJMESA-N 0 0 466.003 2.702 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223483003 569912917 /nfs/dbraw/zinc/91/29/17/569912917.db2.gz YKDLJSREVIKSGG-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223518591 569914338 /nfs/dbraw/zinc/91/43/38/569914338.db2.gz ZEYKNAIUMIXROR-INIZCTEOSA-N 0 0 496.427 2.769 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223518550 569914345 /nfs/dbraw/zinc/91/43/45/569914345.db2.gz ZEYKNAIUMIXROR-MRXNPFEDSA-N 0 0 496.427 2.769 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223518469 569914355 /nfs/dbraw/zinc/91/43/55/569914355.db2.gz IOKONLAQUPCFIC-INIZCTEOSA-N 0 0 451.976 2.659 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223518154 569914360 /nfs/dbraw/zinc/91/43/60/569914360.db2.gz HLQAHCNIKCZZKQ-MRXNPFEDSA-N 0 0 451.976 2.659 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223528293 569914652 /nfs/dbraw/zinc/91/46/52/569914652.db2.gz RJBYJLJAAOYYCE-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223530861 569914787 /nfs/dbraw/zinc/91/47/87/569914787.db2.gz WIOABPWFVKTLTB-FQEVSTJZSA-N 0 0 489.638 2.837 40 0 JFABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223538242 569915086 /nfs/dbraw/zinc/91/50/86/569915086.db2.gz FODCYDHEUDDNLN-FQEVSTJZSA-N 0 0 489.638 2.837 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223542316 569915358 /nfs/dbraw/zinc/91/53/58/569915358.db2.gz DMUFEXNXPQOYHY-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)s1 ZINC000223560877 569916105 /nfs/dbraw/zinc/91/61/05/569916105.db2.gz BQEUYLWONLYKQS-UHFFFAOYSA-N 0 0 472.614 2.605 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223567067 569916372 /nfs/dbraw/zinc/91/63/72/569916372.db2.gz KNLMDUBQXULJOH-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCOc1cccc2ccccc21 ZINC000223574931 569916527 /nfs/dbraw/zinc/91/65/27/569916527.db2.gz VJGKWJNMUUHENY-UHFFFAOYSA-N 0 0 498.601 2.997 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223580028 569916771 /nfs/dbraw/zinc/91/67/71/569916771.db2.gz JLGRHOFQKCVAKZ-OAQYLSRUSA-N 0 0 488.654 2.778 40 0 JFABRN COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)n2)cc1OC ZINC000223605555 569917634 /nfs/dbraw/zinc/91/76/34/569917634.db2.gz BLBISDBCZWRDFE-UHFFFAOYSA-N 0 0 472.523 2.668 40 0 JFABRN Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000223613565 569917903 /nfs/dbraw/zinc/91/79/03/569917903.db2.gz XMCDFBDGDHEGQI-SFHVURJKSA-N 0 0 462.568 2.896 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223611920 569917918 /nfs/dbraw/zinc/91/79/18/569917918.db2.gz NHECTPXSELNVFK-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223620711 569918167 /nfs/dbraw/zinc/91/81/67/569918167.db2.gz BUBMFXPEVUTRPJ-MRXNPFEDSA-N 0 0 467.538 2.593 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1N1C(=O)CCC1=O ZINC000223625905 569918225 /nfs/dbraw/zinc/91/82/25/569918225.db2.gz ZHJXNPRCURRPQN-UHFFFAOYSA-N 0 0 457.508 2.585 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223623993 569918236 /nfs/dbraw/zinc/91/82/36/569918236.db2.gz JPILQBPUMBTXEZ-NRFANRHFSA-N 0 0 488.654 2.778 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223630786 569918410 /nfs/dbraw/zinc/91/84/10/569918410.db2.gz FDWPMMOSXGAHAK-QGZVFWFLSA-N 0 0 466.003 2.822 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223652883 569918984 /nfs/dbraw/zinc/91/89/84/569918984.db2.gz MHEUNXYHEARNSG-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223653666 569919043 /nfs/dbraw/zinc/91/90/43/569919043.db2.gz UTHUCUQIHYTRDS-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000223658050 569919269 /nfs/dbraw/zinc/91/92/69/569919269.db2.gz JBWYROJQZNNVHZ-UHFFFAOYSA-N 0 0 464.584 2.963 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1C(=O)N1CCOCC1 ZINC000223694247 569920218 /nfs/dbraw/zinc/92/02/18/569920218.db2.gz DXLDFKJVTQNKMH-UHFFFAOYSA-N 0 0 476.595 2.822 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccccc1C(C)(C)C)c1ccccc1F ZINC000223709841 569920720 /nfs/dbraw/zinc/92/07/20/569920720.db2.gz CWSGRIYJHSHUIX-UHFFFAOYSA-N 0 0 451.564 2.931 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1nnc(SCC(C)C)s1)c1ccc2c(c1)OCCO2 ZINC000223719615 569921023 /nfs/dbraw/zinc/92/10/23/569921023.db2.gz WYCGIOBWIJGHIY-UHFFFAOYSA-N 0 0 472.614 2.852 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223730008 569921412 /nfs/dbraw/zinc/92/14/12/569921412.db2.gz USQUFUWTVAWWIZ-IBGZPJMESA-N 0 0 457.596 2.929 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223756973 569922247 /nfs/dbraw/zinc/92/22/47/569922247.db2.gz STBWRSDMGRBVLR-INIZCTEOSA-N 0 0 499.008 2.645 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223762623 569922502 /nfs/dbraw/zinc/92/25/02/569922502.db2.gz MTTHLEWFMCXJTG-MRXNPFEDSA-N 0 0 491.997 2.818 40 0 JFABRN C[C@@H](CNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccccc1 ZINC000223773104 569922806 /nfs/dbraw/zinc/92/28/06/569922806.db2.gz FCZWRLBSXTVWLX-AWEZNQCLSA-N 0 0 472.348 2.977 40 0 JFABRN COc1cc(CNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc(OC)c1OC ZINC000223774023 569922888 /nfs/dbraw/zinc/92/28/88/569922888.db2.gz QZMBYSLJHXZNNL-UHFFFAOYSA-N 0 0 472.510 2.853 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223789069 569923364 /nfs/dbraw/zinc/92/33/64/569923364.db2.gz IUUJONKKVGMLGN-GOSISDBHSA-N 0 0 463.575 2.762 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000223788462 569923389 /nfs/dbraw/zinc/92/33/89/569923389.db2.gz CZCKKXICFNJLAV-IBGZPJMESA-N 0 0 450.557 2.616 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223788780 569923410 /nfs/dbraw/zinc/92/34/10/569923410.db2.gz YQMGOAFCCJKGPU-OAHLLOKOSA-N 0 0 499.992 2.807 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223824585 569924352 /nfs/dbraw/zinc/92/43/52/569924352.db2.gz WSZUKUNQXACUJE-GOSISDBHSA-N 0 0 463.575 2.925 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223832100 569924635 /nfs/dbraw/zinc/92/46/35/569924635.db2.gz XATPPVPTQNPXFQ-FFZOFVMBSA-N 0 0 459.974 2.925 40 0 JFABRN Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000223845460 569924920 /nfs/dbraw/zinc/92/49/20/569924920.db2.gz XHNTZRQUPMGMNB-IRXDYDNUSA-N 0 0 452.598 2.739 40 0 JFABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000223865508 569925591 /nfs/dbraw/zinc/92/55/91/569925591.db2.gz JQZATNHFGUEFTO-GOSISDBHSA-N 0 0 478.636 2.818 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223868735 569925648 /nfs/dbraw/zinc/92/56/48/569925648.db2.gz AEQZUTUWFJQSJW-KRWDZBQOSA-N 0 0 491.585 2.738 40 0 JFABRN COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000223883398 569926194 /nfs/dbraw/zinc/92/61/94/569926194.db2.gz URMDFPUXKGFTLY-INIZCTEOSA-N 0 0 468.597 2.522 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)s1 ZINC000223945420 569928047 /nfs/dbraw/zinc/92/80/47/569928047.db2.gz LNYTXJLKMLJNJI-UHFFFAOYSA-N 0 0 484.625 2.785 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223979570 569929312 /nfs/dbraw/zinc/92/93/12/569929312.db2.gz YNFTYQASWXFKFR-GOSISDBHSA-N 0 0 475.611 2.577 40 0 JFABRN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCCOc1ccc(F)cc1 ZINC000223988481 569929585 /nfs/dbraw/zinc/92/95/85/569929585.db2.gz WHFIWSASOPVMOA-UHFFFAOYSA-N 0 0 486.521 2.987 40 0 JFABRN COc1cccc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 ZINC000223995973 569929793 /nfs/dbraw/zinc/92/97/93/569929793.db2.gz LBZMVXQAKNXLKV-QHCPKHFHSA-N 0 0 468.531 2.847 40 0 JFABRN COc1cccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 ZINC000223996026 569929806 /nfs/dbraw/zinc/92/98/06/569929806.db2.gz LBZMVXQAKNXLKV-HSZRJFAPSA-N 0 0 468.531 2.847 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223998628 569929902 /nfs/dbraw/zinc/92/99/02/569929902.db2.gz WNDOUWBLFFMUGT-KRWDZBQOSA-N 0 0 451.523 2.625 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000224006978 569930221 /nfs/dbraw/zinc/93/02/21/569930221.db2.gz PPCZTLMQFCEHBU-AWEZNQCLSA-N 0 0 489.566 2.789 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224023685 569930930 /nfs/dbraw/zinc/93/09/30/569930930.db2.gz QOYSZHMSNLVODZ-IBGZPJMESA-N 0 0 487.622 2.937 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000224025656 569930985 /nfs/dbraw/zinc/93/09/85/569930985.db2.gz JHPLDVDLMHDKBF-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000224031038 569931214 /nfs/dbraw/zinc/93/12/14/569931214.db2.gz WLNHJASBIOFKLX-LJQANCHMSA-N 0 0 458.540 2.948 40 0 JFABRN Cc1ccc(C)c(OCCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000224038491 569931484 /nfs/dbraw/zinc/93/14/84/569931484.db2.gz OOWRWSGHOVZATP-UHFFFAOYSA-N 0 0 462.568 2.816 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1F ZINC000224043262 569931594 /nfs/dbraw/zinc/93/15/94/569931594.db2.gz KZSSCZBZHYASHJ-UHFFFAOYSA-N 0 0 483.587 2.795 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000224045556 569931651 /nfs/dbraw/zinc/93/16/51/569931651.db2.gz VKQDTJRFHHQIJB-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN COc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000224047861 569931666 /nfs/dbraw/zinc/93/16/66/569931666.db2.gz NHBZSKQIWJJRBB-CQSZACIVSA-N 0 0 456.948 2.707 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000224067465 569932261 /nfs/dbraw/zinc/93/22/61/569932261.db2.gz YUSWBHBVFWIOPJ-KRWDZBQOSA-N 0 0 496.029 2.711 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224072462 569932409 /nfs/dbraw/zinc/93/24/09/569932409.db2.gz ZUDGVPVFWVGEMM-SFHVURJKSA-N 0 0 492.617 2.771 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000224084499 569932748 /nfs/dbraw/zinc/93/27/48/569932748.db2.gz KPQZYGWTHUCGQK-HXUWFJFHSA-N 0 0 459.612 2.829 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000224087286 569932861 /nfs/dbraw/zinc/93/28/61/569932861.db2.gz VJVIATVSPLBZHC-IBGZPJMESA-N 0 0 475.611 2.651 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000224087073 569932888 /nfs/dbraw/zinc/93/28/88/569932888.db2.gz HEMZUERGQUFKLY-FQEVSTJZSA-N 0 0 459.612 2.683 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224088219 569932930 /nfs/dbraw/zinc/93/29/30/569932930.db2.gz HAZWQLQCTNKFMC-SFHVURJKSA-N 0 0 463.575 2.781 40 0 JFABRN Cc1cc(C)cc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000224098572 569933179 /nfs/dbraw/zinc/93/31/79/569933179.db2.gz PPLBDVKLWAFJIV-UHFFFAOYSA-N 0 0 466.003 2.702 40 0 JFABRN CCCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000224114860 569933658 /nfs/dbraw/zinc/93/36/58/569933658.db2.gz KNSPAFBHNAEWKT-QGZVFWFLSA-N 0 0 462.568 2.760 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCOc1ccc(C)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000224151217 569934582 /nfs/dbraw/zinc/93/45/82/569934582.db2.gz XLPUXMMXWJYQFC-UHFFFAOYSA-N 0 0 468.959 2.771 40 0 JFABRN Cc1cccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224169336 569935148 /nfs/dbraw/zinc/93/51/48/569935148.db2.gz MJQYKQYZACZCEX-LJQANCHMSA-N 0 0 485.606 2.719 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224170658 569935242 /nfs/dbraw/zinc/93/52/42/569935242.db2.gz HXVJIAAIWAMZNB-QFIPXVFZSA-N 0 0 459.612 2.867 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224196380 569936040 /nfs/dbraw/zinc/93/60/40/569936040.db2.gz KLGWQZJZUFGJBO-QFIPXVFZSA-N 0 0 475.611 2.713 40 0 JFABRN CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC3(c4ccccc4)CCOCC3)c2)CC1 ZINC000224197241 569936075 /nfs/dbraw/zinc/93/60/75/569936075.db2.gz YPYPWBPLRCEYNA-UHFFFAOYSA-N 0 0 492.041 2.754 40 0 JFABRN COc1ccccc1OCCNC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224230490 569937288 /nfs/dbraw/zinc/93/72/88/569937288.db2.gz DRAFAPZBTNUINC-DEOSSOPVSA-N 0 0 482.558 2.988 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224251754 569938131 /nfs/dbraw/zinc/93/81/31/569938131.db2.gz CTXSUSCHOMQQHJ-OAQYLSRUSA-N 0 0 481.565 2.983 40 0 JFABRN CSc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1C(=O)N1CCOCC1 ZINC000224323207 569940574 /nfs/dbraw/zinc/94/05/74/569940574.db2.gz CVKGIANLALGETP-UHFFFAOYSA-N 0 0 450.582 2.547 40 0 JFABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000224345671 569941336 /nfs/dbraw/zinc/94/13/36/569941336.db2.gz BQEHWGCYCBACPC-UHFFFAOYSA-N 0 0 458.580 2.715 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCO2 ZINC000224361776 569942014 /nfs/dbraw/zinc/94/20/14/569942014.db2.gz MIQOFHNFRYLEPS-UHFFFAOYSA-N 0 0 473.551 2.770 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000224367758 569942185 /nfs/dbraw/zinc/94/21/85/569942185.db2.gz IZWCTAXFOMGAEX-QFIPXVFZSA-N 0 0 493.601 2.934 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224384502 569942704 /nfs/dbraw/zinc/94/27/04/569942704.db2.gz SUANMFFLJSXHHO-OAQYLSRUSA-N 0 0 463.575 2.698 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000224403008 569943403 /nfs/dbraw/zinc/94/34/03/569943403.db2.gz LPFGQKOMMKKMGM-UHFFFAOYSA-N 0 0 486.512 2.984 40 0 JFABRN O=C(CCc1ccc2c(c1)OCCO2)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224415619 569943907 /nfs/dbraw/zinc/94/39/07/569943907.db2.gz WPKRUUBXMIFTAU-UHFFFAOYSA-N 0 0 474.579 2.760 40 0 JFABRN Cc1ccc(C)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000224418854 569943993 /nfs/dbraw/zinc/94/39/93/569943993.db2.gz ASTHTSZHSUBGJE-UHFFFAOYSA-N 0 0 452.598 2.835 40 0 JFABRN COc1cc(C)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 ZINC000224422856 569944115 /nfs/dbraw/zinc/94/41/15/569944115.db2.gz PUZCTMFQHHWXCL-UHFFFAOYSA-N 0 0 482.624 2.844 40 0 JFABRN COc1ccc(CCCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC ZINC000224460400 569945175 /nfs/dbraw/zinc/94/51/75/569945175.db2.gz MEEKXXGAGWVIJG-UHFFFAOYSA-N 0 0 492.594 2.770 40 0 JFABRN O=C(CCCOc1ccc(Cl)cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224462476 569945230 /nfs/dbraw/zinc/94/52/30/569945230.db2.gz HBFSXFNDPVMAMF-UHFFFAOYSA-N 0 0 482.986 2.715 40 0 JFABRN CC(C)c1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224474676 569945573 /nfs/dbraw/zinc/94/55/73/569945573.db2.gz JMJJWGYKBYOXER-IBGZPJMESA-N 0 0 476.595 2.793 40 0 JFABRN Cc1cccc(N(CCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)c1C ZINC000224481109 569945826 /nfs/dbraw/zinc/94/58/26/569945826.db2.gz CPLIDHALFOKVHC-UHFFFAOYSA-N 0 0 487.622 2.923 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224499786 569946409 /nfs/dbraw/zinc/94/64/09/569946409.db2.gz LRXMWYWBPFVIPM-IBGZPJMESA-N 0 0 477.602 2.824 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1ccccc1CN1CCOCC1)c1ccc(F)c(F)c1 ZINC000224513040 569946854 /nfs/dbraw/zinc/94/68/54/569946854.db2.gz DMNYALRIVKPCLH-UHFFFAOYSA-N 0 0 481.565 2.660 40 0 JFABRN COc1ccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3ccccc3O2)cc1 ZINC000224515155 569946915 /nfs/dbraw/zinc/94/69/15/569946915.db2.gz NNMZVMVDBGVNNJ-XMMPIXPASA-N 0 0 498.557 2.855 40 0 JFABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224548892 569948034 /nfs/dbraw/zinc/94/80/34/569948034.db2.gz OIKDOIDLXPPNTP-NRFANRHFSA-N 0 0 485.606 2.801 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000224560772 569948493 /nfs/dbraw/zinc/94/84/93/569948493.db2.gz IDWKRICXOVVMRV-KRWDZBQOSA-N 0 0 496.029 2.652 40 0 JFABRN Cc1ccc(N(CCCC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1C ZINC000224560985 569948502 /nfs/dbraw/zinc/94/85/02/569948502.db2.gz SGFLSFNLQMUNSP-UHFFFAOYSA-N 0 0 473.639 2.998 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224566926 569948737 /nfs/dbraw/zinc/94/87/37/569948737.db2.gz VNXOBDPETAYNMZ-OAQYLSRUSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224579483 569949377 /nfs/dbraw/zinc/94/93/77/569949377.db2.gz XCKRGYFAHRDIFY-XMMPIXPASA-N 0 0 473.639 2.997 40 0 JFABRN CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCCOc2ccc(F)cc2)S1(=O)=O ZINC000224583818 569949586 /nfs/dbraw/zinc/94/95/86/569949586.db2.gz UJRDZZHNMZTTDY-UHFFFAOYSA-N 0 0 464.515 2.939 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224625263 569951268 /nfs/dbraw/zinc/95/12/68/569951268.db2.gz NJYRLGRVOOAORY-OAQYLSRUSA-N 0 0 485.606 2.597 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000224654375 569952376 /nfs/dbraw/zinc/95/23/76/569952376.db2.gz BQDFKPUGZAJNGP-SFHVURJKSA-N 0 0 493.601 2.932 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000224655801 569952425 /nfs/dbraw/zinc/95/24/25/569952425.db2.gz ZDVRUHNEXZENHB-GOSISDBHSA-N 0 0 489.594 2.515 40 0 JFABRN CCOc1cc(CNC(=O)[C@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)ccc1OC ZINC000224656579 569952433 /nfs/dbraw/zinc/95/24/33/569952433.db2.gz GOJIBOGEDOTZQW-IBGZPJMESA-N 0 0 450.557 2.964 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224668691 569952997 /nfs/dbraw/zinc/95/29/97/569952997.db2.gz BGLDHODHJILNDT-QGZVFWFLSA-N 0 0 489.569 2.692 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224697734 569953955 /nfs/dbraw/zinc/95/39/55/569953955.db2.gz MWOADUXRNRXPCG-IBGZPJMESA-N 0 0 485.606 2.863 40 0 JFABRN COc1ccc(N(CCCC(=O)NCc2ccc(OC)c(OC)c2)S(C)(=O)=O)c(OC)c1 ZINC000224710993 569954419 /nfs/dbraw/zinc/95/44/19/569954419.db2.gz XAADPHYSFXOXSN-UHFFFAOYSA-N 0 0 466.556 2.584 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)c1cccc(Cl)c1Cl ZINC000224716303 569954580 /nfs/dbraw/zinc/95/45/80/569954580.db2.gz SXSDFJOTRHIJCO-UHFFFAOYSA-N 0 0 486.421 2.908 40 0 JFABRN C[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224724853 569954813 /nfs/dbraw/zinc/95/48/13/569954813.db2.gz GDQLVPGGFOVZTF-KRWDZBQOSA-N 0 0 466.003 2.643 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224725385 569954818 /nfs/dbraw/zinc/95/48/18/569954818.db2.gz NULPBIAESJNFGQ-LJQANCHMSA-N 0 0 487.622 2.907 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(Cl)cc1 ZINC000224735916 569955504 /nfs/dbraw/zinc/95/55/04/569955504.db2.gz CBTJODADROETOM-UHFFFAOYSA-N 0 0 452.960 2.619 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000224743546 569955709 /nfs/dbraw/zinc/95/57/09/569955709.db2.gz IWYJATZUPJHOSC-UHFFFAOYSA-N 0 0 471.623 2.765 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000224749294 569955936 /nfs/dbraw/zinc/95/59/36/569955936.db2.gz VJVGBZBBOFXJET-UHFFFAOYSA-N 0 0 459.568 2.971 40 0 JFABRN CCCn1c2ccc(S(=O)(=O)NCc3cccc(CN4CCOCC4)c3)cc2sc1=O ZINC000224757070 569956261 /nfs/dbraw/zinc/95/62/61/569956261.db2.gz LQSIPBGFSIGOFT-UHFFFAOYSA-N 0 0 461.609 2.784 40 0 JFABRN COc1ccc(-c2noc(CNC(=O)CCCN(c3ccc(OC)cc3)S(C)(=O)=O)n2)cc1 ZINC000224757854 569956344 /nfs/dbraw/zinc/95/63/44/569956344.db2.gz QYCULULXLZFSGZ-UHFFFAOYSA-N 0 0 474.539 2.616 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224798691 569958129 /nfs/dbraw/zinc/95/81/29/569958129.db2.gz TVGPMUDPZXHBDU-SFHVURJKSA-N 0 0 495.045 2.896 40 0 JFABRN CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000224824125 569959246 /nfs/dbraw/zinc/95/92/46/569959246.db2.gz YHYWBIOXAYCMMZ-MRXNPFEDSA-N 0 0 480.593 2.624 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C(=O)N1CCOCC1 ZINC000224871205 569961093 /nfs/dbraw/zinc/96/10/93/569961093.db2.gz FEWVGHXVHXVIDV-UHFFFAOYSA-N 0 0 460.430 2.867 40 0 JFABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 ZINC000224903252 569962629 /nfs/dbraw/zinc/96/26/29/569962629.db2.gz DVRNURLOULHZPE-MRXNPFEDSA-N 0 0 458.540 2.867 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1Cl ZINC000408594395 569965530 /nfs/dbraw/zinc/96/55/30/569965530.db2.gz QGNFUPLXAXKBNV-AHKGRUIUSA-N 0 0 478.014 2.873 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCCCn1ccnc1 ZINC000408594828 569965787 /nfs/dbraw/zinc/96/57/87/569965787.db2.gz QWXXIPWTPDBBHI-UHFFFAOYSA-N 0 0 454.552 2.610 40 0 JFABRN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1OC ZINC000408596603 569966961 /nfs/dbraw/zinc/96/69/61/569966961.db2.gz SDAKQKIYNSLXBR-UHFFFAOYSA-N 0 0 459.503 2.632 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000408596910 569967079 /nfs/dbraw/zinc/96/70/79/569967079.db2.gz UXYGVHITNHHICT-OAHLLOKOSA-N 0 0 471.501 2.730 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224986389 569967460 /nfs/dbraw/zinc/96/74/60/569967460.db2.gz BOFWJQQSLCRUFM-RTBURBONSA-N 0 0 475.611 2.793 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224987608 569967486 /nfs/dbraw/zinc/96/74/86/569967486.db2.gz UHNBEAUEFHGVNX-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224989705 569967622 /nfs/dbraw/zinc/96/76/22/569967622.db2.gz OKPJOQAZUZMLJE-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000224996273 569967974 /nfs/dbraw/zinc/96/79/74/569967974.db2.gz WWGNDXMQOWRFQL-HNNXBMFYSA-N 0 0 467.975 2.978 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224997343 569968139 /nfs/dbraw/zinc/96/81/39/569968139.db2.gz ODQRTYUSEOMNRD-RBUKOAKNSA-N 0 0 492.617 2.771 40 0 JFABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(N3CCOCC3)cc1)O2 ZINC000225005701 569968723 /nfs/dbraw/zinc/96/87/23/569968723.db2.gz RILDCEUKHCFEFM-QFIPXVFZSA-N 0 0 473.595 2.986 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1OC ZINC000408601793 569969255 /nfs/dbraw/zinc/96/92/55/569969255.db2.gz HKQCMOWUHFTCHY-QGZVFWFLSA-N 0 0 464.584 2.764 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000225018207 569969422 /nfs/dbraw/zinc/96/94/22/569969422.db2.gz APTYAZIQHOPWCU-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)s1 ZINC000225020444 569969651 /nfs/dbraw/zinc/96/96/51/569969651.db2.gz RKTGKLGVERBUQJ-UHFFFAOYSA-N 0 0 470.536 2.970 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225020398 569969683 /nfs/dbraw/zinc/96/96/83/569969683.db2.gz AIAJDYNSVWXOCO-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225025017 569969893 /nfs/dbraw/zinc/96/98/93/569969893.db2.gz WJKHUYMGGJPERF-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN Cn1c(=O)sc2cc(NC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)ccc21 ZINC000225028554 569970146 /nfs/dbraw/zinc/97/01/46/569970146.db2.gz OTYIJPFMIXDTKM-UHFFFAOYSA-N 0 0 470.370 2.767 40 0 JFABRN C[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225036135 569970738 /nfs/dbraw/zinc/97/07/38/569970738.db2.gz IRYZMJXETQJAGJ-AWEZNQCLSA-N 0 0 451.495 2.994 40 0 JFABRN Cc1cccc(-c2noc(CNC(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)n2)c1 ZINC000225036513 569970839 /nfs/dbraw/zinc/97/08/39/569970839.db2.gz RUYWPNIYVMIBBF-UHFFFAOYSA-N 0 0 486.550 2.679 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225041971 569971304 /nfs/dbraw/zinc/97/13/04/569971304.db2.gz GPYDUNGEBSCEKV-KIZRIRGWSA-N 0 0 453.583 2.968 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1Cl ZINC000408610021 569972335 /nfs/dbraw/zinc/97/23/35/569972335.db2.gz UIYMOYOHJNBLJF-CQSZACIVSA-N 0 0 454.932 2.776 40 0 JFABRN COc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000408611271 569972681 /nfs/dbraw/zinc/97/26/81/569972681.db2.gz STSAMBUABAGFGE-UHFFFAOYSA-N 0 0 472.567 2.611 40 0 JFABRN O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000225082667 569973817 /nfs/dbraw/zinc/97/38/17/569973817.db2.gz SSERODXNCBTFIJ-UHFFFAOYSA-N 0 0 491.591 2.706 40 0 JFABRN O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000225084351 569973932 /nfs/dbraw/zinc/97/39/32/569973932.db2.gz BLBIZSMLTCGRGW-UHFFFAOYSA-N 0 0 467.469 2.870 40 0 JFABRN Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)c1 ZINC000408615067 569974454 /nfs/dbraw/zinc/97/44/54/569974454.db2.gz LMIGOGYXFMHVNR-XMSQKQJNSA-N 0 0 451.523 2.661 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)c(C)c1 ZINC000408615337 569974645 /nfs/dbraw/zinc/97/46/45/569974645.db2.gz PAHWVYYJDIVXQV-UGKGYDQZSA-N 0 0 465.550 2.969 40 0 JFABRN Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)c1 ZINC000408615376 569974680 /nfs/dbraw/zinc/97/46/80/569974680.db2.gz PQPHPGLHNZLTHP-CVDCTZTESA-N 0 0 465.550 2.969 40 0 JFABRN COC(=O)c1c(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)sc2c1CCN(C)C2 ZINC000408615473 569974816 /nfs/dbraw/zinc/97/48/16/569974816.db2.gz ARDBPQHTQBEFPZ-UHFFFAOYSA-N 0 0 471.988 2.581 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)cc1C ZINC000408615819 569975024 /nfs/dbraw/zinc/97/50/24/569975024.db2.gz SNJZEMBNCYBQML-CVDCTZTESA-N 0 0 465.550 2.969 40 0 JFABRN CCc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)cc1 ZINC000408615797 569975025 /nfs/dbraw/zinc/97/50/25/569975025.db2.gz SHQQJDGOBLBVIY-XXBNENTESA-N 0 0 465.550 2.915 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)cc1C ZINC000408615820 569975033 /nfs/dbraw/zinc/97/50/33/569975033.db2.gz SNJZEMBNCYBQML-WMZHIEFXSA-N 0 0 465.550 2.969 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2OC)cc1 ZINC000408615989 569975092 /nfs/dbraw/zinc/97/50/92/569975092.db2.gz DREZACABZCNZRT-UHFFFAOYSA-N 0 0 481.530 2.884 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408616308 569975510 /nfs/dbraw/zinc/97/55/10/569975510.db2.gz GCNGPFPKOKXUDY-UHFFFAOYSA-N 0 0 472.567 2.611 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225113717 569975691 /nfs/dbraw/zinc/97/56/91/569975691.db2.gz QWQOJHYBNWVVNB-NHCUHLMSSA-N 0 0 488.654 2.940 40 0 JFABRN COCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1C ZINC000408617336 569976165 /nfs/dbraw/zinc/97/61/65/569976165.db2.gz CPLBGCXBNTZPPD-UHFFFAOYSA-N 0 0 466.003 2.844 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225121251 569976229 /nfs/dbraw/zinc/97/62/29/569976229.db2.gz RGLFGMRXDSZKBB-BLKABHOGSA-N 0 0 453.583 2.968 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccc(F)cc2)cc1 ZINC000408618528 569976767 /nfs/dbraw/zinc/97/67/67/569976767.db2.gz JXMSCJQBHRAGEC-UHFFFAOYSA-N 0 0 460.531 2.823 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl ZINC000408618965 569976957 /nfs/dbraw/zinc/97/69/57/569976957.db2.gz HEDWUENXHWFMCR-INIZCTEOSA-N 0 0 451.976 2.754 40 0 JFABRN COc1ccc(CCNC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000408619362 569977221 /nfs/dbraw/zinc/97/72/21/569977221.db2.gz HKHKWMHLSWKPGY-UHFFFAOYSA-N 0 0 455.374 2.578 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000408619381 569977230 /nfs/dbraw/zinc/97/72/30/569977230.db2.gz HMVMROWWUBOERC-UHFFFAOYSA-N 0 0 495.623 2.613 40 0 JFABRN Cn1c2ccc(NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2n(C)c1=O ZINC000408619160 569977263 /nfs/dbraw/zinc/97/72/63/569977263.db2.gz MRUAIVIHEHDKHR-UHFFFAOYSA-N 0 0 457.339 2.589 40 0 JFABRN CC(C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000225139521 569977432 /nfs/dbraw/zinc/97/74/32/569977432.db2.gz FVHKJPBHAKUCNN-UHFFFAOYSA-N 0 0 475.567 2.781 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408619935 569977629 /nfs/dbraw/zinc/97/76/29/569977629.db2.gz OTVNRVIVUUNGHG-UHFFFAOYSA-N 0 0 489.682 2.759 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000408620678 569977880 /nfs/dbraw/zinc/97/78/80/569977880.db2.gz QJWYOFRORFCMTA-UHFFFAOYSA-N 0 0 467.975 2.819 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225151544 569978387 /nfs/dbraw/zinc/97/83/87/569978387.db2.gz LZOLIWXVGVEYPO-QHCPKHFHSA-N 0 0 488.654 2.941 40 0 JFABRN COC[C@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000408621680 569978405 /nfs/dbraw/zinc/97/84/05/569978405.db2.gz PELKVMIYVNDWQL-HNNXBMFYSA-N 0 0 455.374 2.791 40 0 JFABRN O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCCN1CCOCC1 ZINC000408622618 569978852 /nfs/dbraw/zinc/97/88/52/569978852.db2.gz PQQQSFWTXMERHA-UHFFFAOYSA-N 0 0 486.421 2.633 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccccc1Br ZINC000408622865 569978965 /nfs/dbraw/zinc/97/89/65/569978965.db2.gz NUQOEZGNLAMYJP-UHFFFAOYSA-N 0 0 469.357 2.796 40 0 JFABRN CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)sc2c1CCC2 ZINC000408623818 569979488 /nfs/dbraw/zinc/97/94/88/569979488.db2.gz ZLSBUMXKGJVDTD-UHFFFAOYSA-N 0 0 482.580 2.835 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)Cc1ccccc1F ZINC000225165673 569979500 /nfs/dbraw/zinc/97/95/00/569979500.db2.gz FIQORPBWTHREAK-UHFFFAOYSA-N 0 0 462.284 2.831 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)Cc2ccccc2)cc1C ZINC000408624373 569979721 /nfs/dbraw/zinc/97/97/21/569979721.db2.gz SWYVDAIDJXSOFB-UHFFFAOYSA-N 0 0 456.568 2.598 40 0 JFABRN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)s2)c1 ZINC000225181079 569980661 /nfs/dbraw/zinc/98/06/61/569980661.db2.gz RWXSNNUQBSJSPC-UHFFFAOYSA-N 0 0 457.581 2.605 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225184695 569980890 /nfs/dbraw/zinc/98/08/90/569980890.db2.gz QLAQDQMUMBWOBD-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225186698 569981108 /nfs/dbraw/zinc/98/11/08/569981108.db2.gz KXLMHEGURRZBDU-BDTNDASRSA-N 0 0 453.583 2.970 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2c(c1)OCO2 ZINC000408627542 569981136 /nfs/dbraw/zinc/98/11/36/569981136.db2.gz OAZYBDWBOFFJPU-UHFFFAOYSA-N 0 0 485.484 2.549 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000408629383 569981480 /nfs/dbraw/zinc/98/14/80/569981480.db2.gz ACPHYWFFRFDWMH-UHFFFAOYSA-N 0 0 467.975 2.819 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000225194801 569981664 /nfs/dbraw/zinc/98/16/64/569981664.db2.gz IWIDCJJIPCWAML-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408629625 569981711 /nfs/dbraw/zinc/98/17/11/569981711.db2.gz FHYKDOCOFDHQQZ-OAHLLOKOSA-N 0 0 462.524 2.670 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408629909 569981809 /nfs/dbraw/zinc/98/18/09/569981809.db2.gz KFVSORRDSKTSNU-UHFFFAOYSA-N 0 0 468.915 2.626 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000225224074 569983728 /nfs/dbraw/zinc/98/37/28/569983728.db2.gz BOMLBWOKYUBJRT-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(=O)(=O)c2ccccc2)c1 ZINC000225240048 569985001 /nfs/dbraw/zinc/98/50/01/569985001.db2.gz XGFHQBLGXLOZGF-LJQANCHMSA-N 0 0 498.557 2.855 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)CCCN(c3cccc(OC)c3)S(C)(=O)=O)n2)c1 ZINC000225243146 569985216 /nfs/dbraw/zinc/98/52/16/569985216.db2.gz PBYWBIWJRXXJDG-UHFFFAOYSA-N 0 0 488.566 2.959 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)c(Cl)c2)cc1 ZINC000408635896 569986182 /nfs/dbraw/zinc/98/61/82/569986182.db2.gz JDHVPPNSTIYOLJ-MRXNPFEDSA-N 0 0 454.932 2.823 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)Cc1ccccc1 ZINC000408636136 569986412 /nfs/dbraw/zinc/98/64/12/569986412.db2.gz LPDDAWWNWIBADK-GOSISDBHSA-N 0 0 452.960 2.835 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl)NCCCn1ccnc1 ZINC000408636175 569986468 /nfs/dbraw/zinc/98/64/68/569986468.db2.gz WCXBAWINKBVGBB-UHFFFAOYSA-N 0 0 488.997 2.869 40 0 JFABRN CCOc1ccc(CCCNC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 ZINC000225261739 569986618 /nfs/dbraw/zinc/98/66/18/569986618.db2.gz CKOSFLFEBASTCZ-UHFFFAOYSA-N 0 0 490.622 2.796 40 0 JFABRN Cc1ccccc1-c1noc(CN(C)C(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)n1 ZINC000225261523 569986623 /nfs/dbraw/zinc/98/66/23/569986623.db2.gz XDKAPROBJVRUGP-INIZCTEOSA-N 0 0 458.540 2.867 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)NCCCn1ccnc1 ZINC000408636511 569986845 /nfs/dbraw/zinc/98/68/45/569986845.db2.gz RITDMNNAQVBRHI-UHFFFAOYSA-N 0 0 470.595 2.640 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000225264817 569986878 /nfs/dbraw/zinc/98/68/78/569986878.db2.gz RCHSHVKKNDVKPB-IBGZPJMESA-N 0 0 464.971 2.838 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225267196 569986998 /nfs/dbraw/zinc/98/69/98/569986998.db2.gz DGCNDVIWPLEQHP-LLVKDONJSA-N 0 0 472.466 2.562 40 0 JFABRN Cc1ccc2c(c1)O[C@@H](C(=O)NC[C@@H]1COc3ccccc3O1)CN2S(=O)(=O)c1ccccc1 ZINC000225268457 569987120 /nfs/dbraw/zinc/98/71/20/569987120.db2.gz UJQMMHOXHSZGJB-HOYKHHGWSA-N 0 0 480.542 2.908 40 0 JFABRN CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000225276063 569987697 /nfs/dbraw/zinc/98/76/97/569987697.db2.gz AQAGGMRHDDFDPW-PBHICJAKSA-N 0 0 456.923 2.980 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000225278509 569987733 /nfs/dbraw/zinc/98/77/33/569987733.db2.gz JYSPLISPQYPLED-MJGOQNOKSA-N 0 0 464.971 2.838 40 0 JFABRN CCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000225299805 569988861 /nfs/dbraw/zinc/98/88/61/569988861.db2.gz KGHCFLDZFJBTDA-UHFFFAOYSA-N 0 0 475.567 2.783 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225357523 569992685 /nfs/dbraw/zinc/99/26/85/569992685.db2.gz OQEDSJXVCSSEGF-RTBURBONSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225359565 569992804 /nfs/dbraw/zinc/99/28/04/569992804.db2.gz KECAADIXHXTHKT-ZWKOTPCHSA-N 0 0 493.601 2.932 40 0 JFABRN Cc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000408650613 569993843 /nfs/dbraw/zinc/99/38/43/569993843.db2.gz BXJGLIGWNNAWPC-CQSZACIVSA-N 0 0 464.305 2.977 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1cccc(Cl)c1Cl ZINC000408651340 569994232 /nfs/dbraw/zinc/99/42/32/569994232.db2.gz DFBKURWAVCVKBN-CYBMUJFWSA-N 0 0 450.278 2.669 40 0 JFABRN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 ZINC000408651346 569994249 /nfs/dbraw/zinc/99/42/49/569994249.db2.gz DFLJIGDCRWPNHU-ZDUSSCGKSA-N 0 0 464.305 2.977 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(=O)OC)cc3)CC2=O)cc1 ZINC000408651396 569994339 /nfs/dbraw/zinc/99/43/39/569994339.db2.gz DJXNEKSFSXKBRE-SFHVURJKSA-N 0 0 482.489 2.575 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000225388342 569994475 /nfs/dbraw/zinc/99/44/75/569994475.db2.gz VTHUECZCVUKKDN-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000225388184 569994479 /nfs/dbraw/zinc/99/44/79/569994479.db2.gz QQCKMOLPZFAAJW-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1 ZINC000408651745 569994526 /nfs/dbraw/zinc/99/45/26/569994526.db2.gz DSPZBQNDLOETJK-IBGZPJMESA-N 0 0 496.516 2.821 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000225391089 569994644 /nfs/dbraw/zinc/99/46/44/569994644.db2.gz QGCHQVPVFAGCHX-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225397691 569994829 /nfs/dbraw/zinc/99/48/29/569994829.db2.gz JKVWRPIGGLSTAY-ZDUSSCGKSA-N 0 0 473.929 2.548 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225405797 569995292 /nfs/dbraw/zinc/99/52/92/569995292.db2.gz PGQDQKYYAAETLM-CQSZACIVSA-N 0 0 472.394 2.777 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225408595 569995308 /nfs/dbraw/zinc/99/53/08/569995308.db2.gz YFJOTBFBFKPUQY-YHDSQAASSA-N 0 0 469.582 2.668 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225408487 569995334 /nfs/dbraw/zinc/99/53/34/569995334.db2.gz TWGBLJQPFLRTCH-WOJBJXKFSA-N 0 0 489.638 2.956 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)c1 ZINC000408653529 569995513 /nfs/dbraw/zinc/99/55/13/569995513.db2.gz IITPOJYQKLZYNJ-QGZVFWFLSA-N 0 0 497.548 2.677 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)c1 ZINC000408653528 569995521 /nfs/dbraw/zinc/99/55/21/569995521.db2.gz IITPOJYQKLZYNJ-KRWDZBQOSA-N 0 0 497.548 2.677 40 0 JFABRN CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000225411963 569995615 /nfs/dbraw/zinc/99/56/15/569995615.db2.gz LFIZPTASJDCHGD-UHFFFAOYSA-N 0 0 497.573 2.837 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000225422917 569996113 /nfs/dbraw/zinc/99/61/13/569996113.db2.gz UXOQCJXVAJKOOP-AWEZNQCLSA-N 0 0 489.491 2.774 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000225423588 569996145 /nfs/dbraw/zinc/99/61/45/569996145.db2.gz YBNJRWIKXHGIQC-OAHLLOKOSA-N 0 0 469.966 2.717 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225432168 569996505 /nfs/dbraw/zinc/99/65/05/569996505.db2.gz YHLPPURWVDKDLF-WOJBJXKFSA-N 0 0 459.612 2.827 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)CC1=O ZINC000408655147 569996662 /nfs/dbraw/zinc/99/66/62/569996662.db2.gz KZNJKMOXQBQMKN-HNNXBMFYSA-N 0 0 488.338 2.741 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225434408 569996711 /nfs/dbraw/zinc/99/67/11/569996711.db2.gz SBEQCZVMPVFKCB-RTBURBONSA-N 0 0 477.602 2.966 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000225436688 569996734 /nfs/dbraw/zinc/99/67/34/569996734.db2.gz KLZSRPWNMIFTCJ-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225434901 569996740 /nfs/dbraw/zinc/99/67/40/569996740.db2.gz IDKBNQUUTBNTPY-QFIPXVFZSA-N 0 0 477.602 2.968 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225433920 569996748 /nfs/dbraw/zinc/99/67/48/569996748.db2.gz HUTWLISSIZWLNX-HSZRJFAPSA-N 0 0 489.638 2.837 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225433703 569996753 /nfs/dbraw/zinc/99/67/53/569996753.db2.gz RSFRITXUZQIFHC-WOJBJXKFSA-N 0 0 489.638 2.836 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(I)cc1 ZINC000225437410 569996839 /nfs/dbraw/zinc/99/68/39/569996839.db2.gz ZXLPGMOBGBHGQU-CYBMUJFWSA-N 0 0 470.282 2.972 40 0 JFABRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)ccc1NS(C)(=O)=O ZINC000225440966 569996955 /nfs/dbraw/zinc/99/69/55/569996955.db2.gz IWHDDZRQVUISBN-VQTJNVASSA-N 0 0 457.581 2.977 40 0 JFABRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)ccc1NS(C)(=O)=O ZINC000225441006 569996965 /nfs/dbraw/zinc/99/69/65/569996965.db2.gz IWHDDZRQVUISBN-WOJBJXKFSA-N 0 0 457.581 2.977 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225441296 569996986 /nfs/dbraw/zinc/99/69/86/569996986.db2.gz RUOHXDJGHVXRBJ-LEWJYISDSA-N 0 0 488.654 2.674 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225441253 569996993 /nfs/dbraw/zinc/99/69/93/569996993.db2.gz RUOHXDJGHVXRBJ-NHCUHLMSSA-N 0 0 488.654 2.674 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225447840 569997310 /nfs/dbraw/zinc/99/73/10/569997310.db2.gz YGUHQEQPTMDARZ-YUVXSKOASA-N 0 0 453.583 2.702 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225447759 569997313 /nfs/dbraw/zinc/99/73/13/569997313.db2.gz VVLTUGHQLPBIAH-LEWJYISDSA-N 0 0 473.639 2.990 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225450089 569997361 /nfs/dbraw/zinc/99/73/61/569997361.db2.gz QQGXRQNTKHTYSU-UXHICEINSA-N 0 0 499.633 2.986 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225450052 569997382 /nfs/dbraw/zinc/99/73/82/569997382.db2.gz QQGXRQNTKHTYSU-VQTJNVASSA-N 0 0 499.633 2.986 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225451068 569997440 /nfs/dbraw/zinc/99/74/40/569997440.db2.gz IYFZFPJUQBWPPN-RBUKOAKNSA-N 0 0 485.606 2.596 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OCC)cc3)C2)cc1 ZINC000408656296 569997513 /nfs/dbraw/zinc/99/75/13/569997513.db2.gz NFAQZNREPKXSSD-SFHVURJKSA-N 0 0 482.489 2.575 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1 ZINC000408656317 569997588 /nfs/dbraw/zinc/99/75/88/569997588.db2.gz NHNWSDOGBJJFTG-HNNXBMFYSA-N 0 0 463.412 2.689 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1)Nc1ccccc1Cl ZINC000408656733 569997799 /nfs/dbraw/zinc/99/77/99/569997799.db2.gz ODUIAYMKALZDPA-ZDUSSCGKSA-N 0 0 494.729 2.778 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225461743 569997875 /nfs/dbraw/zinc/99/78/75/569997875.db2.gz YWRJYJRWHDOROX-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000225465437 569997950 /nfs/dbraw/zinc/99/79/50/569997950.db2.gz LODXLZHYUXEKJF-SFHVURJKSA-N 0 0 473.595 2.597 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225467230 569998046 /nfs/dbraw/zinc/99/80/46/569998046.db2.gz GKQLJCDZRFYXPH-INIZCTEOSA-N 0 0 467.538 2.673 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)CC1=O ZINC000408657241 569998088 /nfs/dbraw/zinc/99/80/88/569998088.db2.gz ONJLVWZUMDHPNB-CYBMUJFWSA-N 0 0 464.305 2.977 40 0 JFABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(C)cc2)C1 ZINC000408657825 569998503 /nfs/dbraw/zinc/99/85/03/569998503.db2.gz PKXOCRXBNRBIAD-HXUWFJFHSA-N 0 0 451.523 2.795 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3CN3CCCC3=O)CC2)cc1 ZINC000225480994 569998872 /nfs/dbraw/zinc/99/88/72/569998872.db2.gz QNVSOYSATHAVBT-UHFFFAOYSA-N 0 0 469.607 2.835 40 0 JFABRN CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000408659409 569999565 /nfs/dbraw/zinc/99/95/65/569999565.db2.gz JMGZEUUIZLGNDJ-UHFFFAOYSA-N 0 0 452.463 2.948 40 0 JFABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000225493128 569999607 /nfs/dbraw/zinc/99/96/07/569999607.db2.gz KCZVLWGMRKSVQX-UHFFFAOYSA-N 0 0 458.515 2.935 40 0 JFABRN Cc1ccccc1CN(C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)[C@@H](C)C(=O)NC(C)C ZINC000225492466 569999608 /nfs/dbraw/zinc/99/96/08/569999608.db2.gz URPPLMLZWBAQPY-IBGZPJMESA-N 0 0 485.606 2.862 40 0 JFABRN COc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000225494493 569999736 /nfs/dbraw/zinc/99/97/36/569999736.db2.gz ZNXUDTMAJJCMHH-QGZVFWFLSA-N 0 0 462.568 2.688 40 0 JFABRN COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1 ZINC000408660018 570000004 /nfs/dbraw/zinc/00/00/04/570000004.db2.gz UIDKHSLCOCTCAF-KRWDZBQOSA-N 0 0 454.479 2.795 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 ZINC000408660338 570000248 /nfs/dbraw/zinc/00/02/48/570000248.db2.gz NTSZURBHRQSWFB-QGZVFWFLSA-N 0 0 454.479 2.797 40 0 JFABRN COC(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 ZINC000225501382 570000366 /nfs/dbraw/zinc/00/03/66/570000366.db2.gz NCTOUKDTJYNSFI-UHFFFAOYSA-N 0 0 462.524 2.530 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)COc3ccccc3OC)CC2)cc1 ZINC000225501839 570000397 /nfs/dbraw/zinc/00/03/97/570000397.db2.gz MTJMTMQTVASDDG-QGZVFWFLSA-N 0 0 462.568 2.688 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc(-c4ccccc4C)no3)CC2)cc1 ZINC000225502830 570000457 /nfs/dbraw/zinc/00/04/57/570000457.db2.gz PWIVFSLRSKWKFO-UHFFFAOYSA-N 0 0 470.551 2.771 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(c4ccccc4)CCOCC3)CC2)cc1 ZINC000225503402 570000555 /nfs/dbraw/zinc/00/05/55/570000555.db2.gz SLZIANARVVZAKH-UHFFFAOYSA-N 0 0 472.607 2.961 40 0 JFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225506352 570000738 /nfs/dbraw/zinc/00/07/38/570000738.db2.gz ZUPWGULGYDBOJU-XMMPIXPASA-N 0 0 497.592 2.978 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000408661703 570001139 /nfs/dbraw/zinc/00/11/39/570001139.db2.gz HAPQIVNNROUZIA-UHFFFAOYSA-N 0 0 455.467 2.722 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000408661956 570001362 /nfs/dbraw/zinc/00/13/62/570001362.db2.gz OZENNCUVVCSBLU-SFTDATJTSA-N 0 0 461.474 2.896 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)c1 ZINC000408662672 570001908 /nfs/dbraw/zinc/00/19/08/570001908.db2.gz PEEANPLBWTWRIC-KDURUIRLSA-N 0 0 464.474 2.955 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000225523098 570002169 /nfs/dbraw/zinc/00/21/69/570002169.db2.gz VZIXPFFASFLZSU-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN COc1cc(CNC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)ccc1OC(C)C ZINC000225523136 570002278 /nfs/dbraw/zinc/00/22/78/570002278.db2.gz MLEHYQURZSNFAJ-INIZCTEOSA-N 0 0 450.557 2.962 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc(N4CCCC4=O)c3)C2)cc1 ZINC000225525798 570002454 /nfs/dbraw/zinc/00/24/54/570002454.db2.gz IPRJTSCQNKJCAV-HXUWFJFHSA-N 0 0 455.580 2.839 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000225526572 570002610 /nfs/dbraw/zinc/00/26/10/570002610.db2.gz CRFYNBKYJNSJDR-IBGZPJMESA-N 0 0 487.622 2.906 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2)cc1 ZINC000408664233 570003019 /nfs/dbraw/zinc/00/30/19/570003019.db2.gz YVHWAVYZCYKFQG-IBGZPJMESA-N 0 0 496.516 2.965 40 0 JFABRN COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000225531070 570003094 /nfs/dbraw/zinc/00/30/94/570003094.db2.gz DDUGFKSNLIBHCH-IAGOWNOFSA-N 0 0 450.532 2.819 40 0 JFABRN COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc3ccccc32)CC1=O ZINC000408664353 570003151 /nfs/dbraw/zinc/00/31/51/570003151.db2.gz ZKILOHSJUKLGSJ-KRWDZBQOSA-N 0 0 491.500 2.532 40 0 JFABRN CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1 ZINC000408664773 570003414 /nfs/dbraw/zinc/00/34/14/570003414.db2.gz ZYFARAAZLYQTEY-INIZCTEOSA-N 0 0 488.338 2.687 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225541070 570004021 /nfs/dbraw/zinc/00/40/21/570004021.db2.gz WPAZLRDFNXSWFK-RXVVDRJESA-N 0 0 485.606 2.862 40 0 JFABRN Cc1ccccc1-c1noc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000225542341 570004197 /nfs/dbraw/zinc/00/41/97/570004197.db2.gz MMYFNXCNOMPIJK-MRXNPFEDSA-N 0 0 458.515 2.901 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)cc1 ZINC000225542483 570004208 /nfs/dbraw/zinc/00/42/08/570004208.db2.gz HAAXWKUYMJAIKL-QGZVFWFLSA-N 0 0 488.541 2.992 40 0 JFABRN COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)c(OC)c1 ZINC000408665978 570004304 /nfs/dbraw/zinc/00/43/04/570004304.db2.gz RWPUABLYVJEZEA-KDURUIRLSA-N 0 0 464.474 2.955 40 0 JFABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1Cl ZINC000225543961 570004373 /nfs/dbraw/zinc/00/43/73/570004373.db2.gz LMQMQSCZPQRZFV-UHFFFAOYSA-N 0 0 466.899 2.980 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1 ZINC000408666310 570004623 /nfs/dbraw/zinc/00/46/23/570004623.db2.gz HGDLPXGPRAUSKF-SFHVURJKSA-N 0 0 481.505 2.747 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225549881 570005014 /nfs/dbraw/zinc/00/50/14/570005014.db2.gz KCHLYUZTILJZFD-YTQUADARSA-N 0 0 459.974 2.923 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000225559130 570005690 /nfs/dbraw/zinc/00/56/90/570005690.db2.gz YERPQWHLHQHBSO-UHFFFAOYSA-N 0 0 461.584 2.903 40 0 JFABRN CCCOc1ccccc1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000225564100 570005984 /nfs/dbraw/zinc/00/59/84/570005984.db2.gz XGAFAQNPNVKYPT-UHFFFAOYSA-N 0 0 464.584 2.862 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225570220 570006477 /nfs/dbraw/zinc/00/64/77/570006477.db2.gz SHVQVJOPEWCIFP-NQIIRXRSSA-N 0 0 485.606 2.862 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225581845 570007302 /nfs/dbraw/zinc/00/73/02/570007302.db2.gz ZRVZVPMPBJSQHL-MRXNPFEDSA-N 0 0 467.538 2.673 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)c(F)c1 ZINC000225582360 570007462 /nfs/dbraw/zinc/00/74/62/570007462.db2.gz SOGFKTUNFGRXBE-UHFFFAOYSA-N 0 0 495.548 2.584 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225590454 570008211 /nfs/dbraw/zinc/00/82/11/570008211.db2.gz CXXPRAKBZMXZPL-QGZVFWFLSA-N 0 0 489.569 2.692 40 0 JFABRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000408674897 570009663 /nfs/dbraw/zinc/00/96/63/570009663.db2.gz DTVPADMNBWUWKJ-UHFFFAOYSA-N 0 0 493.538 2.600 40 0 JFABRN CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)CC1 ZINC000408676933 570010715 /nfs/dbraw/zinc/01/07/15/570010715.db2.gz OXVQLKZPZGMVHN-UHFFFAOYSA-N 0 0 452.573 2.722 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225667196 570013504 /nfs/dbraw/zinc/01/35/04/570013504.db2.gz XWBDWOKCKYSFMK-INIZCTEOSA-N 0 0 491.997 2.674 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225671501 570013751 /nfs/dbraw/zinc/01/37/51/570013751.db2.gz ZLFXCVPPJIRYNE-IBGZPJMESA-N 0 0 489.638 2.966 40 0 JFABRN Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)N[C@@H](C)c4ccccc4)cc3C2=O)s1 ZINC000408685568 570013879 /nfs/dbraw/zinc/01/38/79/570013879.db2.gz LNOWNJYRKGGMBH-LBPRGKRZSA-N 0 0 450.476 2.681 40 0 JFABRN CC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2nnc(C)s2)C3=O)cc1 ZINC000408688083 570014463 /nfs/dbraw/zinc/01/44/63/570014463.db2.gz PWOVVBSOGIBFMG-UHFFFAOYSA-N 0 0 464.459 2.645 40 0 JFABRN CCOc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1nnc(C)s1)C2=O ZINC000408690112 570015082 /nfs/dbraw/zinc/01/50/82/570015082.db2.gz UAXJILITRIQXGH-UHFFFAOYSA-N 0 0 466.475 2.841 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1C(=O)N1CCOCC1 ZINC000408693511 570016195 /nfs/dbraw/zinc/01/61/95/570016195.db2.gz YDFFSAZRUAOAJR-UHFFFAOYSA-N 0 0 455.330 2.731 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000225710798 570016611 /nfs/dbraw/zinc/01/66/11/570016611.db2.gz PJIOVDHQWIQKRY-HSZRJFAPSA-N 0 0 487.622 2.987 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCN1c2ccccc2C[C@@H]1C ZINC000225733641 570018608 /nfs/dbraw/zinc/01/86/08/570018608.db2.gz NDXJXKZAYQGIKC-SFHVURJKSA-N 0 0 459.612 2.836 40 0 JFABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccc(CN4CCCC4=O)cc3)ccc21 ZINC000225789783 570021843 /nfs/dbraw/zinc/02/18/43/570021843.db2.gz USSKUSUELFZVTR-UHFFFAOYSA-N 0 0 453.564 2.587 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccccc2C)no1 ZINC000225793281 570021960 /nfs/dbraw/zinc/02/19/60/570021960.db2.gz WYHJWZZZAWXURU-IBGZPJMESA-N 0 0 458.540 2.915 40 0 JFABRN C[C@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408703038 570022966 /nfs/dbraw/zinc/02/29/66/570022966.db2.gz DGKZOVGMGQNULL-OAHLLOKOSA-N 0 0 475.567 2.779 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccc2c(c1)OCO2 ZINC000408703426 570023206 /nfs/dbraw/zinc/02/32/06/570023206.db2.gz RMLCYWUORYHIQL-UHFFFAOYSA-N 0 0 454.888 2.650 40 0 JFABRN C[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704325 570023882 /nfs/dbraw/zinc/02/38/82/570023882.db2.gz LZUXLCPZXFXKAL-KRWDZBQOSA-N 0 0 487.578 2.877 40 0 JFABRN Cn1c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2n(C)c1=O ZINC000408704592 570024137 /nfs/dbraw/zinc/02/41/37/570024137.db2.gz QEFJIHKSINMPMH-UHFFFAOYSA-N 0 0 450.520 2.958 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccc2c(c1)OCCO2 ZINC000408706343 570025127 /nfs/dbraw/zinc/02/51/27/570025127.db2.gz FBAPCPQCQGLIRP-UHFFFAOYSA-N 0 0 468.915 2.693 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCSCc1cccc(C)c1)c1ccc2c(c1)OCCO2 ZINC000408706377 570025244 /nfs/dbraw/zinc/02/52/44/570025244.db2.gz HVRCOQCLYFJKHN-UHFFFAOYSA-N 0 0 464.609 2.972 40 0 JFABRN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000408713733 570025578 /nfs/dbraw/zinc/02/55/78/570025578.db2.gz QVPJWLUUIGADDT-OAHLLOKOSA-N 0 0 450.488 2.660 40 0 JFABRN COc1ccc(-c2nnc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC ZINC000408714647 570025813 /nfs/dbraw/zinc/02/58/13/570025813.db2.gz UBCHWTUHDSFVRF-UHFFFAOYSA-N 0 0 494.957 2.686 40 0 JFABRN O=C(CCN1C(=O)c2ccccc2C1=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000225874936 570026005 /nfs/dbraw/zinc/02/60/05/570026005.db2.gz CJJXGHZWKZIRCZ-HSZRJFAPSA-N 0 0 469.497 2.783 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 ZINC000225924940 570027945 /nfs/dbraw/zinc/02/79/45/570027945.db2.gz JWSSFVZNWHZBQW-UHFFFAOYSA-N 0 0 479.624 2.559 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N[C@H]1c1ccc2c(c1)OCO2 ZINC000408729126 570028742 /nfs/dbraw/zinc/02/87/42/570028742.db2.gz ASXLSPDAEJBPRC-IYMWYRQMSA-N 0 0 478.526 2.645 40 0 JFABRN S=C(NCc1cccnc1)Nc1nc(N2CCOCC2)cc(N2CCc3ccccc3C2)n1 ZINC000225940128 570028883 /nfs/dbraw/zinc/02/88/83/570028883.db2.gz FKRDYCLUKUUVCI-UHFFFAOYSA-N 0 0 461.595 2.758 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(O)c(OC)c3)sc2=N[C@H]1c1ccc(OC)cc1 ZINC000408731791 570029343 /nfs/dbraw/zinc/02/93/43/570029343.db2.gz NAJCGBNYUREDFQ-WLJFKGHSSA-N 0 0 480.542 2.630 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949275 570029392 /nfs/dbraw/zinc/02/93/92/570029392.db2.gz DRTJRILKNKPIFM-SFHVURJKSA-N 0 0 474.004 2.518 40 0 JFABRN Cc1nc(SCCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC000225998730 570031569 /nfs/dbraw/zinc/03/15/69/570031569.db2.gz KCJAXRZEHRRNQB-UHFFFAOYSA-N 0 0 459.597 2.521 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000225997258 570031637 /nfs/dbraw/zinc/03/16/37/570031637.db2.gz IUQCZOGMUDLSII-XMMPIXPASA-N 0 0 494.569 2.887 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000226007887 570032264 /nfs/dbraw/zinc/03/22/64/570032264.db2.gz TYPSBLPYVVEBSP-UHFFFAOYSA-N 0 0 455.511 2.683 40 0 JFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(CC(N)=O)cc2)cc1 ZINC000226010215 570032369 /nfs/dbraw/zinc/03/23/69/570032369.db2.gz FFUMHRLMGCZDHQ-UHFFFAOYSA-N 0 0 481.574 2.595 40 0 JFABRN S=C(NCc1ccc2c(c1)OCCO2)Nc1nc(N2CCCCC2)cc(N2CCOCC2)n1 ZINC000226014401 570032907 /nfs/dbraw/zinc/03/29/07/570032907.db2.gz FQISTKCTHMRUIA-UHFFFAOYSA-N 0 0 470.599 2.561 40 0 JFABRN Cc1nc(SCCNC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC000226014581 570032909 /nfs/dbraw/zinc/03/29/09/570032909.db2.gz SPUCBUWYANTZGQ-UHFFFAOYSA-N 0 0 473.624 2.829 40 0 JFABRN C[C@@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 ZINC000226014663 570032923 /nfs/dbraw/zinc/03/29/23/570032923.db2.gz LBFLEUUQCSAWRQ-QGZVFWFLSA-N 0 0 484.626 2.950 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccc(CC(N)=O)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000226056974 570034935 /nfs/dbraw/zinc/03/49/35/570034935.db2.gz JITBXXDWLBENJL-UHFFFAOYSA-N 0 0 497.573 2.874 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCc2cc(Br)ccc21 ZINC000226068670 570035463 /nfs/dbraw/zinc/03/54/63/570035463.db2.gz AEOHIDOUTIPULP-UHFFFAOYSA-N 0 0 457.321 2.807 40 0 JFABRN CCN(CC(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000226070189 570035747 /nfs/dbraw/zinc/03/57/47/570035747.db2.gz ODILBNWEAQLTRE-UHFFFAOYSA-N 0 0 480.583 2.699 40 0 JFABRN COc1cc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc(OC)c1OC ZINC000226071631 570035798 /nfs/dbraw/zinc/03/57/98/570035798.db2.gz TTXPHDKJGUUTBO-UHFFFAOYSA-N 0 0 462.568 2.772 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000226083680 570036644 /nfs/dbraw/zinc/03/66/44/570036644.db2.gz OPPZHSONJGKMKY-GOSISDBHSA-N 0 0 492.594 2.780 40 0 JFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1 ZINC000226086784 570036923 /nfs/dbraw/zinc/03/69/23/570036923.db2.gz JMVZSAARANBUOA-OAHLLOKOSA-N 0 0 470.551 2.840 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408769522 570038708 /nfs/dbraw/zinc/03/87/08/570038708.db2.gz NJXGEYGPPRZVAI-CVGPFBNFSA-N 0 0 492.553 2.732 40 0 JFABRN CCC[C@]1(C(=O)OC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000229929131 570042378 /nfs/dbraw/zinc/04/23/78/570042378.db2.gz QDNNJANLDZUYRT-BILGYAHESA-N 0 0 496.516 2.595 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000229934313 570042478 /nfs/dbraw/zinc/04/24/78/570042478.db2.gz CXLBCXITWVXHHO-FZONSQQESA-N 0 0 488.587 2.634 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000231644377 570046815 /nfs/dbraw/zinc/04/68/15/570046815.db2.gz QGKJXAMFYPSPLC-PIXQIBFHSA-N 0 0 496.585 2.881 40 0 JFABRN CCOC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3cccs3)[C@@H]2C1=O ZINC000238924113 570048020 /nfs/dbraw/zinc/04/80/20/570048020.db2.gz RBCZJILDZWSGIA-RKVJSDRQSA-N 0 0 490.628 2.924 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)oc(C)c(-c2cscn2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000238924035 570048033 /nfs/dbraw/zinc/04/80/33/570048033.db2.gz QLPBVUOEXHYSIY-FXRJOTQOSA-N 0 0 589.575 2.687 40 0 JFABRN COC(=O)COc1c(I)cc(/C=C2\SC(=O)N(C)C2=O)cc1OC ZINC000408813319 570049709 /nfs/dbraw/zinc/04/97/09/570049709.db2.gz PGRBVPLUNGUUJU-WDZFZDKYSA-N 0 0 463.249 2.518 40 0 JFABRN CCOC(=O)N1CCN(C(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)CC1 ZINC000408825838 570052410 /nfs/dbraw/zinc/05/24/10/570052410.db2.gz ATZJMVQIBQXVRS-UHFFFAOYSA-N 0 0 466.582 2.932 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3O)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408834172 570052910 /nfs/dbraw/zinc/05/29/10/570052910.db2.gz LCRYSQIQGCUAAJ-MRCZTLKWSA-N 0 0 450.516 2.518 40 0 JFABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=c3\sc4n(c3=O)CCN=4)o2)Cc2ccccc2)cc1 ZINC000408834379 570053062 /nfs/dbraw/zinc/05/30/62/570053062.db2.gz YMMDCVTUPKQWDM-HAHDFKILSA-N 0 0 493.610 2.664 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(Cc2cccs2)C(=O)[C@H]2[C@H](C(=O)NCc3ccc(F)cc3)[C@H]3C=C[C@@]12O3 ZINC000245229647 570056065 /nfs/dbraw/zinc/05/60/65/570056065.db2.gz CLJFBGWDFWTDFS-MJAIZRIDSA-N 0 0 497.592 2.769 40 0 JFABRN CC(C)CN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NCc1ccccc1 ZINC000245230514 570056571 /nfs/dbraw/zinc/05/65/71/570056571.db2.gz TUSAMHOPZWSNTH-KZRLHFJPSA-N 0 0 477.536 2.887 40 0 JFABRN CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F ZINC000245240545 570058103 /nfs/dbraw/zinc/05/81/03/570058103.db2.gz QANCMLFPWRPMBF-KGZKIYMESA-N 0 0 487.393 2.542 40 0 JFABRN CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F ZINC000245240544 570058112 /nfs/dbraw/zinc/05/81/12/570058112.db2.gz QANCMLFPWRPMBF-HNASSTCJSA-N 0 0 487.393 2.542 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408867319 570058445 /nfs/dbraw/zinc/05/84/45/570058445.db2.gz KNMLLJBRKSYNCM-WLJFKGHSSA-N 0 0 497.548 2.976 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408881165 570062792 /nfs/dbraw/zinc/06/27/92/570062792.db2.gz JZLYVJJFBRDMFN-FBHQFGEZSA-N 0 0 479.558 2.837 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408885351 570064369 /nfs/dbraw/zinc/06/43/69/570064369.db2.gz ZVGKJHZBDBLZOU-CNSVBDKNSA-N 0 0 467.522 2.967 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000408927285 570078780 /nfs/dbraw/zinc/07/87/80/570078780.db2.gz UXOIIYOPSKJGLY-UHFFFAOYSA-N 0 0 489.575 2.901 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(C)o4)c(=O)n32)cc1OCC ZINC000408932436 570080473 /nfs/dbraw/zinc/08/04/73/570080473.db2.gz CDAURULFXFNRCX-GUBQRQEFSA-N 0 0 468.531 2.717 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4F)c(=O)n32)cc1OCC ZINC000408942310 570082803 /nfs/dbraw/zinc/08/28/03/570082803.db2.gz XHWJSCJZXVXBES-WCCCRJGXSA-N 0 0 482.533 2.955 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408943677 570083178 /nfs/dbraw/zinc/08/31/78/570083178.db2.gz LTMHGCFHRCYGDF-JZVSFUAJSA-N 0 0 470.934 2.776 40 0 JFABRN COc1ccc(C(=O)N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1OC ZINC000408970128 570088615 /nfs/dbraw/zinc/08/86/15/570088615.db2.gz BFTRFQFJCYITJT-UHFFFAOYSA-N 0 0 451.567 2.900 40 0 JFABRN O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4)C[C@@H]13)O2 ZINC000253400317 570096530 /nfs/dbraw/zinc/09/65/30/570096530.db2.gz LDJXZTCPCKGPFM-FIXSFTCYSA-N 0 0 461.562 2.626 40 0 JFABRN COc1cc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc(OC)c1OC ZINC000409016775 570101440 /nfs/dbraw/zinc/10/14/40/570101440.db2.gz IUFNWYJLEOQGTM-UHFFFAOYSA-N 0 0 467.566 2.913 40 0 JFABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1O ZINC000409020211 570102728 /nfs/dbraw/zinc/10/27/28/570102728.db2.gz MRSUIIOPRDBVHH-XSFVSMFZSA-N 0 0 453.520 2.786 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)CC1 ZINC000409026169 570104483 /nfs/dbraw/zinc/10/44/83/570104483.db2.gz HXPIQSFPBUIKBD-UHFFFAOYSA-N 0 0 470.897 2.927 40 0 JFABRN CC(=O)OC[C@@H]1O[C@@H](Oc2cc(C(C)C)ccc2C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253608964 570104518 /nfs/dbraw/zinc/10/45/18/570104518.db2.gz XPSRJIDOWVLUTQ-OSFFKXSWSA-N 0 0 480.510 2.580 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccc(C)c(Cl)c2)cc1 ZINC000409026384 570104582 /nfs/dbraw/zinc/10/45/82/570104582.db2.gz NOKCWWROBPKSFY-UHFFFAOYSA-N 0 0 463.987 2.876 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032258 570105946 /nfs/dbraw/zinc/10/59/46/570105946.db2.gz BXQCDSIGPHOGEX-VZIOXZNFSA-N 0 0 493.585 2.989 40 0 JFABRN O=C(COc1cccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)c1)Nc1ccccc1 ZINC000256055733 570107052 /nfs/dbraw/zinc/10/70/52/570107052.db2.gz QZOFDJXOZZQGSC-ZHZULCJRSA-N 0 0 455.499 2.778 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(OC)c(OC)c(OC)c3)sc2=N1 ZINC000409042187 570107780 /nfs/dbraw/zinc/10/77/80/570107780.db2.gz BTYTWBHFRCDAKQ-PZHBDVNGSA-N 0 0 494.569 2.824 40 0 JFABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)CCN2C(=O)CCNC2=O)n1 ZINC000257204709 570109269 /nfs/dbraw/zinc/10/92/69/570109269.db2.gz AVYKKFRQIONLHO-KRWDZBQOSA-N 0 0 456.934 2.765 40 0 JFABRN CNC(=O)[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCN1Cc1ccccc1 ZINC000257205768 570109609 /nfs/dbraw/zinc/10/96/09/570109609.db2.gz BAMMSJPZRIBFDM-JOCHJYFZSA-N 0 0 455.986 2.847 40 0 JFABRN COc1ccc(C(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1OC ZINC000409050842 570109816 /nfs/dbraw/zinc/10/98/16/570109816.db2.gz BAQYYGBCJFSHSE-UHFFFAOYSA-N 0 0 495.576 2.629 40 0 JFABRN CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1ccc(Cn2cccn2)cc1 ZINC000257208481 570110482 /nfs/dbraw/zinc/11/04/82/570110482.db2.gz BMJCJEDWQKVXIR-AREMUKBSSA-N 0 0 456.550 2.978 40 0 JFABRN CNc1nc([C@H]2CCCCN2C(=O)CCn2cnc3ccccc32)nc2c1CCN(C(C)=O)C2 ZINC000257211200 570111447 /nfs/dbraw/zinc/11/14/47/570111447.db2.gz BXWPVBVILYAEBL-JOCHJYFZSA-N 0 0 461.570 2.917 40 0 JFABRN O=C(c1ccccc1CN1CCOCC1)N1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCC(=O)N2 ZINC000257210997 570111464 /nfs/dbraw/zinc/11/14/64/570111464.db2.gz BXBAOWQOWPBLLE-JYFHCDHNSA-N 0 0 451.542 2.936 40 0 JFABRN CCCn1c2ccc(NC(=O)CN3CCN(C(C)=O)[C@H](c4ccccc4OC)C3)cc2oc1=O ZINC000257215988 570112856 /nfs/dbraw/zinc/11/28/56/570112856.db2.gz CSOVUMSTKCSQSV-NRFANRHFSA-N 0 0 466.538 2.857 40 0 JFABRN COc1ccccc1NC(=O)CSc1nnc(CNC(=O)COc2c(C)cccc2C)n1C ZINC000409063714 570115562 /nfs/dbraw/zinc/11/55/62/570115562.db2.gz BJAZNBFCYNDVNU-UHFFFAOYSA-N 0 0 469.567 2.867 40 0 JFABRN CN1C(=O)N(CC(=O)N2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)C(=O)C12CCCCC2 ZINC000257226192 570116012 /nfs/dbraw/zinc/11/60/12/570116012.db2.gz FJNNJXUTUOCTOG-SWYRRKHMSA-N 0 0 480.609 2.854 40 0 JFABRN CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccnc1Nc1cccc(OC)c1 ZINC000257226373 570116020 /nfs/dbraw/zinc/11/60/20/570116020.db2.gz FKJRGWQMFRWBDO-QHCPKHFHSA-N 0 0 459.550 2.906 40 0 JFABRN CN1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCn3ccnc3)C2)CC1 ZINC000257228089 570116436 /nfs/dbraw/zinc/11/64/36/570116436.db2.gz FSGGMVLKZAIAEK-RUZDIDTESA-N 0 0 488.032 2.779 40 0 JFABRN COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)CNC(=O)c4cncc(O)c4)C3)o2)cc1 ZINC000257235428 570118757 /nfs/dbraw/zinc/11/87/57/570118757.db2.gz GXUVSTPBZYNTDA-QGZVFWFLSA-N 0 0 450.495 2.511 40 0 JFABRN CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccnc1Nc1ccc(OC)cc1 ZINC000257235775 570118865 /nfs/dbraw/zinc/11/88/65/570118865.db2.gz GZJSVKBKXOQGGC-QHCPKHFHSA-N 0 0 459.550 2.906 40 0 JFABRN CCOCC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257237250 570119383 /nfs/dbraw/zinc/11/93/83/570119383.db2.gz HFTJUFCHUNSOPU-HSZRJFAPSA-N 0 0 451.995 2.528 40 0 JFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)Cn3cccnc3=O)C2)n1 ZINC000257238461 570119779 /nfs/dbraw/zinc/11/97/79/570119779.db2.gz HLBQMFFZJAMPAK-QGZVFWFLSA-N 0 0 452.946 2.826 40 0 JFABRN Cc1cc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCOCC3)C2)no1 ZINC000257242973 570121046 /nfs/dbraw/zinc/12/10/46/570121046.db2.gz IEZSOUWSTIPKMQ-JXFKEZNVSA-N 0 0 492.370 2.904 40 0 JFABRN CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1c(C)cc(C)nc1=O ZINC000257250335 570123297 /nfs/dbraw/zinc/12/32/97/570123297.db2.gz JMCQPBSHBGEYJY-KLWMKENUSA-N 0 0 462.594 2.862 40 0 JFABRN O=C(C[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1 ZINC000257251240 570123606 /nfs/dbraw/zinc/12/36/06/570123606.db2.gz JPZMOSSFRAYKFS-JTSKRJEESA-N 0 0 470.545 2.586 40 0 JFABRN COc1ccc(-c2nccc([C@H]3CCCN3C(=O)[C@@]3(C)CCCN(S(C)(=O)=O)C3)n2)cc1 ZINC000257252841 570123964 /nfs/dbraw/zinc/12/39/64/570123964.db2.gz JWHIVOPQWMOYJK-OFNKIYASSA-N 0 0 458.584 2.877 40 0 JFABRN CN1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000257253085 570124248 /nfs/dbraw/zinc/12/42/48/570124248.db2.gz JXMZWOFTBCAMRV-RUZDIDTESA-N 0 0 489.613 2.840 40 0 JFABRN O=C(c1cccc(OCCN2CCCC2=O)c1)N1CCOC[C@H](Cc2cccc3n[nH]cc32)C1 ZINC000257254010 570124403 /nfs/dbraw/zinc/12/44/03/570124403.db2.gz KBFMLVFDDRHDKG-LJQANCHMSA-N 0 0 462.550 2.895 40 0 JFABRN COc1ccc([C@@H]2CN(C(=O)c3ccccc3OCCN3CCCC3=O)CCN2C(C)=O)cc1 ZINC000257256054 570124916 /nfs/dbraw/zinc/12/49/16/570124916.db2.gz KJXHOBSYRIXECK-QHCPKHFHSA-N 0 0 465.550 2.742 40 0 JFABRN O=C(c1cccc(Oc2ncccn2)c1)N1CC[C@](O)(C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000257256684 570125266 /nfs/dbraw/zinc/12/52/66/570125266.db2.gz KMLZIQAVFMUKPL-SANMLTNESA-N 0 0 459.550 2.668 40 0 JFABRN O=C(C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)c2cccc(F)c2)C1)N1CCOCC1 ZINC000257256766 570125278 /nfs/dbraw/zinc/12/52/78/570125278.db2.gz KMULNRRIDBPMFB-DEOSSOPVSA-N 0 0 476.570 2.925 40 0 JFABRN CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(OC)c(OCc3ccccn3)c2)C1 ZINC000257257744 570125509 /nfs/dbraw/zinc/12/55/09/570125509.db2.gz KQWZRPISZJFUDV-AREMUKBSSA-N 0 0 460.534 2.984 40 0 JFABRN CCC(CC)C(=O)N1CCO[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257261654 570126835 /nfs/dbraw/zinc/12/68/35/570126835.db2.gz LIHLKFAEROCNCP-DEOSSOPVSA-N 0 0 466.022 2.917 40 0 JFABRN CCC(CC)C(=O)N1CCO[C@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257261655 570126854 /nfs/dbraw/zinc/12/68/54/570126854.db2.gz LIHLKFAEROCNCP-XMMPIXPASA-N 0 0 466.022 2.917 40 0 JFABRN COc1cccc(C(=O)N2CC[C@@H](Cc3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C)CC4)n3)C2)c1 ZINC000257264947 570127920 /nfs/dbraw/zinc/12/79/20/570127920.db2.gz LWQFZEQJPQBMDI-IBGZPJMESA-N 0 0 490.612 2.717 40 0 JFABRN O=C([O-])c1cccc(O[C@@H]2CN(CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)C[C@H]2O)c1 ZINC000257266896 570128477 /nfs/dbraw/zinc/12/84/77/570128477.db2.gz MFBCZZYHVDJKAU-RTBURBONSA-N 0 0 457.483 2.710 40 0 JFABRN CC(C)(NC(=O)COc1ccccc1)C(=O)N1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCC(=O)N2 ZINC000257269002 570129291 /nfs/dbraw/zinc/12/92/91/570129291.db2.gz MODPXZWDHJWPRN-HFZDXXHNSA-N 0 0 467.541 2.764 40 0 JFABRN O=C(CN1CCOC[C@@]2(CN(c3ccc(Cl)cc3)C(=O)O2)C1)NCCc1nc2ccccc2[nH]1 ZINC000257270701 570129869 /nfs/dbraw/zinc/12/98/69/570129869.db2.gz MVHVIBCIKVONLQ-DEOSSOPVSA-N 0 0 483.956 2.603 40 0 JFABRN CNC(=O)[C@@H]1CN(C(=O)c2cccnc2Nc2ccc(OC)cc2)CCN1Cc1ccccc1 ZINC000257270694 570129917 /nfs/dbraw/zinc/12/99/17/570129917.db2.gz MVGVQQCREQRIEG-QHCPKHFHSA-N 0 0 459.550 2.906 40 0 JFABRN COc1cccc(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)c1 ZINC000257272060 570130303 /nfs/dbraw/zinc/13/03/03/570130303.db2.gz NAXQAFLQWQCPQY-URXFXBBRSA-N 0 0 452.551 2.783 40 0 JFABRN CC(C)(NC(=O)Cc1ccccc1F)C(=O)N1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257278339 570132218 /nfs/dbraw/zinc/13/22/18/570132218.db2.gz OBVZQIFMFUKFPP-GOSISDBHSA-N 0 0 452.530 2.628 40 0 JFABRN Cc1cc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCc3ccccc3C2)on1 ZINC000257284467 570133924 /nfs/dbraw/zinc/13/39/24/570133924.db2.gz PCURLFXPFGYIMK-HTDNTCHWSA-N 0 0 451.498 2.860 40 0 JFABRN COc1cc(CN2CCOC[C@](O)(COc3cccc(C)c3)C2)ccc1OCCn1ccnc1 ZINC000257285057 570134175 /nfs/dbraw/zinc/13/41/75/570134175.db2.gz PFLCKGSHOXNDEF-SANMLTNESA-N 0 0 467.566 2.921 40 0 JFABRN CN(C(=O)CCCn1c2ccccc2nc1C(F)(F)F)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257289453 570135451 /nfs/dbraw/zinc/13/54/51/570135451.db2.gz PYRXVKVOEFUIPO-SFHLNBCPSA-N 0 0 468.520 2.908 40 0 JFABRN CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257290693 570135657 /nfs/dbraw/zinc/13/56/57/570135657.db2.gz QDYVOSVJQZLADU-UGKGYDQZSA-N 0 0 467.614 2.781 40 0 JFABRN CC(=O)N1CCC(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCCCC3)C2)CC1 ZINC000257290745 570135710 /nfs/dbraw/zinc/13/57/10/570135710.db2.gz QEDKVQUEHKBBMW-UPVQGACJSA-N 0 0 455.599 2.944 40 0 JFABRN O=C(CCN1CCCC1=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 ZINC000257292417 570136292 /nfs/dbraw/zinc/13/62/92/570136292.db2.gz QLIMDUYQMIJUPP-RUZDIDTESA-N 0 0 492.016 2.589 40 0 JFABRN CC1(C)NC(=O)N(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccccc3F)CC2)C1=O ZINC000257295550 570137053 /nfs/dbraw/zinc/13/70/53/570137053.db2.gz QYUXOFZTVSHTPU-NRFANRHFSA-N 0 0 486.588 2.708 40 0 JFABRN COC(=O)c1cccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)c1C ZINC000409126142 570137950 /nfs/dbraw/zinc/13/79/50/570137950.db2.gz AWFSNQHLBVYRAZ-XDHOZWIPSA-N 0 0 470.503 2.937 40 0 JFABRN COc1ccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cc1 ZINC000257309223 570141213 /nfs/dbraw/zinc/14/12/13/570141213.db2.gz UAAIBQFJOOVVMP-RDPSFJRHSA-N 0 0 469.557 2.908 40 0 JFABRN CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1I ZINC000409133854 570141376 /nfs/dbraw/zinc/14/13/76/570141376.db2.gz NNNSOLMNWRTIEY-NTEUORMPSA-N 0 0 491.303 2.916 40 0 JFABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CCN2C(C)=O)c1 ZINC000257312313 570142101 /nfs/dbraw/zinc/14/21/01/570142101.db2.gz UNILFVKCGRYEGR-DEOSSOPVSA-N 0 0 463.578 2.835 40 0 JFABRN Cn1cc(-c2ccc(C(=O)N3CCC[C@]4(CN(CCc5ccccc5)C(=O)CO4)CC3)cn2)cn1 ZINC000257312637 570142229 /nfs/dbraw/zinc/14/22/29/570142229.db2.gz UOXNWQWWZXCYNC-HHHXNRCGSA-N 0 0 473.577 2.949 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(CC3CCC(NC(=O)C4CC4)CC3)n2)n[nH]1 ZINC000257313446 570142577 /nfs/dbraw/zinc/14/25/77/570142577.db2.gz USMFJYZYPLTXMK-UHFFFAOYSA-N 0 0 452.607 2.631 40 0 JFABRN CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CN(Cc3cccnc3)CCO2)CC1 ZINC000257315555 570143163 /nfs/dbraw/zinc/14/31/63/570143163.db2.gz VBXLEWQBJNRRTG-DEOSSOPVSA-N 0 0 458.990 2.549 40 0 JFABRN CCOCCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409138467 570143317 /nfs/dbraw/zinc/14/33/17/570143317.db2.gz CEYYMNYFKKZWJM-UHFFFAOYSA-N 0 0 450.557 2.750 40 0 JFABRN COCCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)OC)c(OC)c2)C1=O ZINC000409138623 570143518 /nfs/dbraw/zinc/14/35/18/570143518.db2.gz FPERNPFAYLQJEQ-MDWZMJQESA-N 0 0 460.302 2.692 40 0 JFABRN CNC(=O)c1cnn2c1nccc2[C@H]1CCN(C(=O)c2ccnc(Cc3ccccc3OC)c2)C1 ZINC000257324167 570145715 /nfs/dbraw/zinc/14/57/15/570145715.db2.gz WNMLRKOZEFXLQF-IBGZPJMESA-N 0 0 470.533 2.713 40 0 JFABRN CC(C)(NC(=O)Cc1ccccc1F)C(=O)N1CCOC[C@H](Cc2cccc3n[nH]cc32)C1 ZINC000257326299 570146438 /nfs/dbraw/zinc/14/64/38/570146438.db2.gz WWRKKCYWQMGEFP-QGZVFWFLSA-N 0 0 452.530 2.857 40 0 JFABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1O ZINC000409147210 570147549 /nfs/dbraw/zinc/14/75/49/570147549.db2.gz WWXJLPZMUHSLNP-DEDYPNTBSA-N 0 0 469.519 2.912 40 0 JFABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000409148197 570147993 /nfs/dbraw/zinc/14/79/93/570147993.db2.gz YKXRJVYDPNWMEQ-UHFFFAOYSA-N 0 0 454.548 2.911 40 0 JFABRN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CN(CC(=O)Nc1ccc3[nH]c(C)nc3c1)CC2 ZINC000257338321 570149969 /nfs/dbraw/zinc/14/99/69/570149969.db2.gz YWXBFAUZMUHSFX-GDKKVTFASA-N 0 0 488.592 2.610 40 0 JFABRN O=C(CN1CCOCC1)Nc1cccc(C(=O)N2CCC[C@H]2c2nc(Cc3ccc(F)cc3)n[nH]2)c1 ZINC000257342841 570151126 /nfs/dbraw/zinc/15/11/26/570151126.db2.gz ZQIODOQKFJNOQW-QFIPXVFZSA-N 0 0 492.555 2.783 40 0 JFABRN NC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000409164379 570152829 /nfs/dbraw/zinc/15/28/29/570152829.db2.gz HTSVKWKPUYCQLL-CXUHLZMHSA-N 0 0 490.335 2.988 40 0 JFABRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)c1 ZINC000409169463 570154394 /nfs/dbraw/zinc/15/43/94/570154394.db2.gz PVOIPQLEUTUKJW-RQZCQDPDSA-N 0 0 457.533 2.948 40 0 JFABRN CCN1C(=O)N/C(=C/c2cc(I)cc(I)c2O)C1=O ZINC000409169334 570154319 /nfs/dbraw/zinc/15/43/19/570154319.db2.gz XNGGMGALIZSMLM-RUDMXATFSA-N 0 0 484.031 2.514 40 0 JFABRN CN(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)S(C)(=O)=O ZINC000260726752 570155424 /nfs/dbraw/zinc/15/54/24/570155424.db2.gz ZRVRLWZQFSLUBL-RUZDIDTESA-N 0 0 493.629 2.834 40 0 JFABRN C[C@H]1CCCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000260735234 570155664 /nfs/dbraw/zinc/15/56/64/570155664.db2.gz GEZAQEZKWRLIJU-OALUTQOASA-N 0 0 461.680 2.710 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000260740959 570155892 /nfs/dbraw/zinc/15/58/92/570155892.db2.gz BYVSMDYKPXCWSG-GJZGRUSLSA-N 0 0 464.540 2.507 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260740899 570155935 /nfs/dbraw/zinc/15/59/35/570155935.db2.gz NAUWMHIBDJSQLH-LJQANCHMSA-N 0 0 489.638 2.966 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)cc1 ZINC000260749545 570156509 /nfs/dbraw/zinc/15/65/09/570156509.db2.gz WANMGFHIKOFLLK-SFHVURJKSA-N 0 0 479.624 2.593 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 ZINC000260764638 570157204 /nfs/dbraw/zinc/15/72/04/570157204.db2.gz USZMRSFEINCKQK-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260771669 570157663 /nfs/dbraw/zinc/15/76/63/570157663.db2.gz WXCJCCASBKTDJT-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000260797289 570158350 /nfs/dbraw/zinc/15/83/50/570158350.db2.gz PFDOXQVXYQUALE-QGZVFWFLSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)C2)cc1 ZINC000260830693 570159576 /nfs/dbraw/zinc/15/95/76/570159576.db2.gz GVHOSGKBJSGYEN-SJLPKXTDSA-N 0 0 460.552 2.745 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(Cl)cc3)C2)cc1 ZINC000260841691 570160114 /nfs/dbraw/zinc/16/01/14/570160114.db2.gz BNPFADQCWJWGJQ-INIZCTEOSA-N 0 0 452.960 2.945 40 0 JFABRN CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409183806 570160330 /nfs/dbraw/zinc/16/03/30/570160330.db2.gz UZUIKQZNWDXEFT-KRWDZBQOSA-N 0 0 498.340 2.819 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3cccc(OC)c3)Oc3ccccc32)cc1 ZINC000260846159 570160455 /nfs/dbraw/zinc/16/04/55/570160455.db2.gz IUXCNUKHLBDDKW-XMMPIXPASA-N 0 0 498.557 2.855 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](CC)C(=O)NC)S(C)(=O)=O ZINC000260860614 570161037 /nfs/dbraw/zinc/16/10/37/570161037.db2.gz OLMVWEMGMZSJDA-LJQANCHMSA-N 0 0 479.574 2.544 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260865679 570161241 /nfs/dbraw/zinc/16/12/41/570161241.db2.gz CNIMXJGJRIVNIP-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000260885766 570161557 /nfs/dbraw/zinc/16/15/57/570161557.db2.gz CKPITTNGIWBJRA-LJQANCHMSA-N 0 0 459.612 2.948 40 0 JFABRN Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000260888107 570161719 /nfs/dbraw/zinc/16/17/19/570161719.db2.gz HKQUTUBNDHTWNG-HXUWFJFHSA-N 0 0 459.612 2.607 40 0 JFABRN Cc1ccc(N([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1C ZINC000260888516 570161751 /nfs/dbraw/zinc/16/17/51/570161751.db2.gz PLBPJPRCXAJGRD-HXUWFJFHSA-N 0 0 459.612 2.607 40 0 JFABRN CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000260890316 570161830 /nfs/dbraw/zinc/16/18/30/570161830.db2.gz BVSYVZBRJKVJAB-JKSUJKDBSA-N 0 0 468.959 2.849 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000260902329 570162775 /nfs/dbraw/zinc/16/27/75/570162775.db2.gz OSJYAOYEWFOPKK-MSOLQXFVSA-N 0 0 489.594 2.513 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000260901796 570162814 /nfs/dbraw/zinc/16/28/14/570162814.db2.gz ODJMXXNLZPTFTI-YADARESESA-N 0 0 480.542 2.740 40 0 JFABRN CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000260903525 570162864 /nfs/dbraw/zinc/16/28/64/570162864.db2.gz PGKGBEWVJSZWTM-DOTOQJQBSA-N 0 0 468.959 2.849 40 0 JFABRN Cc1ccc2c(c1)O[C@@H](C(=O)NC[C@H]1COc3ccccc3O1)CN2S(=O)(=O)c1ccccc1 ZINC000260907932 570163093 /nfs/dbraw/zinc/16/30/93/570163093.db2.gz UJQMMHOXHSZGJB-MHECFPHRSA-N 0 0 480.542 2.908 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)c2ccccc2)cc1 ZINC000260905853 570163113 /nfs/dbraw/zinc/16/31/13/570163113.db2.gz SYTPMHNAYKRGPA-FQEVSTJZSA-N 0 0 468.531 2.847 40 0 JFABRN Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NC[C@H]1COc3ccccc3O1)O2 ZINC000260913008 570163519 /nfs/dbraw/zinc/16/35/19/570163519.db2.gz ZJYAZOGOXNEZNP-UUOWRZLLSA-N 0 0 480.542 2.908 40 0 JFABRN Cc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260915134 570163746 /nfs/dbraw/zinc/16/37/46/570163746.db2.gz RSFOEBLXSIGAJH-OAQYLSRUSA-N 0 0 473.639 2.993 40 0 JFABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000409198125 570164165 /nfs/dbraw/zinc/16/41/65/570164165.db2.gz XSNSPVITTXPEHA-INIZCTEOSA-N 0 0 450.557 2.518 40 0 JFABRN CCOc1ccc(N(CCCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000260932827 570165112 /nfs/dbraw/zinc/16/51/12/570165112.db2.gz NCNDTRMQOOENSN-QGZVFWFLSA-N 0 0 482.624 2.912 40 0 JFABRN COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc1 ZINC000409201077 570165394 /nfs/dbraw/zinc/16/53/94/570165394.db2.gz LROUCRBGSJCPDP-XSFVSMFZSA-N 0 0 481.530 2.985 40 0 JFABRN CC[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000260949539 570166107 /nfs/dbraw/zinc/16/61/07/570166107.db2.gz XRDPIJRISMROGF-FOIQADDNSA-N 0 0 468.597 2.521 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000260983959 570166505 /nfs/dbraw/zinc/16/65/05/570166505.db2.gz OPRDNPUHMQHJDE-ROUUACIJSA-N 0 0 493.601 2.932 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)(C)C ZINC000261041512 570166971 /nfs/dbraw/zinc/16/69/71/570166971.db2.gz YPFVJOKJZUGXOH-HXUWFJFHSA-N 0 0 488.654 2.940 40 0 JFABRN O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409208069 570167938 /nfs/dbraw/zinc/16/79/38/570167938.db2.gz APKLZADFCYPUOK-UDWIEESQSA-N 0 0 467.503 2.927 40 0 JFABRN CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OCC ZINC000409211300 570169881 /nfs/dbraw/zinc/16/98/81/570169881.db2.gz MWUXHAVFJVBTPM-WOJGMQOQSA-N 0 0 485.468 2.698 40 0 JFABRN CCOC(=O)COc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OC ZINC000409213149 570170875 /nfs/dbraw/zinc/17/08/75/570170875.db2.gz OTMBYEVWGVOIDW-MFOYZWKCSA-N 0 0 451.497 2.873 40 0 JFABRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409227747 570176387 /nfs/dbraw/zinc/17/63/87/570176387.db2.gz WDXFUFSSBMEGTH-HMAPJEAMSA-N 0 0 496.541 2.852 40 0 JFABRN COC(=O)c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCO)n2)cc1OC ZINC000328955898 570179272 /nfs/dbraw/zinc/17/92/72/570179272.db2.gz ADNBHNYJNSKXCP-UHFFFAOYSA-N 0 0 478.427 2.829 40 0 JFABRN OCCNc1nc(Nc2ccc(I)cc2Cl)cc(-c2ccncc2)n1 ZINC000328986373 570180652 /nfs/dbraw/zinc/18/06/52/570180652.db2.gz HXYHPRQDBKDWHJ-UHFFFAOYSA-N 0 0 467.698 2.788 40 0 JFABRN CC(C)[C@@H](CO)Nc1nc(NCCN2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329008089 570181401 /nfs/dbraw/zinc/18/14/01/570181401.db2.gz LOTAECDIAVCQDQ-LJQANCHMSA-N 0 0 469.508 3.215 40 0 JFABRN OCCCNc1nc(Nc2ccc(I)cc2F)cc(-c2ccncc2)n1 ZINC000329035946 570182593 /nfs/dbraw/zinc/18/25/93/570182593.db2.gz RGUITFJBPOKETK-UHFFFAOYSA-N 0 0 465.270 2.664 40 0 JFABRN Cn1c(CN2CCOCC2)nnc1SCC(=O)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 ZINC000408536914 570190575 /nfs/dbraw/zinc/19/05/75/570190575.db2.gz TZCLNFAPXFSAPS-WMZOPIPTSA-N 0 0 455.609 2.742 40 0 JFABRN Cc1nnc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccc(Cl)cc2)s1 ZINC000408544302 570192337 /nfs/dbraw/zinc/19/23/37/570192337.db2.gz FVKNXBPHVMTCLE-UHFFFAOYSA-N 0 0 465.992 2.644 40 0 JFABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408549589 570194768 /nfs/dbraw/zinc/19/47/68/570194768.db2.gz VIZOPJDUPSYMJA-LICLKQGHSA-N 0 0 487.896 2.822 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000409314025 570199778 /nfs/dbraw/zinc/19/97/78/570199778.db2.gz DUTNONKOYYRMTI-UHFFFAOYSA-N 0 0 461.540 2.702 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1OC ZINC000408560277 570200373 /nfs/dbraw/zinc/20/03/73/570200373.db2.gz OGAKOWUHAIJEKC-SFHVURJKSA-N 0 0 491.585 2.592 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OCC)c(C)c3)C2)CC1 ZINC000408561113 570200823 /nfs/dbraw/zinc/20/08/23/570200823.db2.gz QSOUXRYLHDIWHO-LJQANCHMSA-N 0 0 466.600 2.596 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000408561257 570200953 /nfs/dbraw/zinc/20/09/53/570200953.db2.gz RNUCMIUHJHFURN-SFHVURJKSA-N 0 0 491.585 2.592 40 0 JFABRN COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c1 ZINC000408561615 570201177 /nfs/dbraw/zinc/20/11/77/570201177.db2.gz UDQNAYMMBIJPFD-OAHLLOKOSA-N 0 0 464.540 2.760 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)c1 ZINC000408562040 570201535 /nfs/dbraw/zinc/20/15/35/570201535.db2.gz XEPBWBIPBLTISF-HNNXBMFYSA-N 0 0 462.524 2.514 40 0 JFABRN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)CC1 ZINC000408562056 570201539 /nfs/dbraw/zinc/20/15/39/570201539.db2.gz XLSRHEQXJKKCIS-UHFFFAOYSA-N 0 0 461.540 2.719 40 0 JFABRN CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)CC1 ZINC000408589298 570208774 /nfs/dbraw/zinc/20/87/74/570208774.db2.gz GWGVHQXJHKRREX-UHFFFAOYSA-N 0 0 499.948 2.959 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCCCn1ccnc1 ZINC000408590392 570208998 /nfs/dbraw/zinc/20/89/98/570208998.db2.gz GZZRYFMAEWZDMV-UHFFFAOYSA-N 0 0 454.552 2.528 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1Cl ZINC000408592696 570209509 /nfs/dbraw/zinc/20/95/09/570209509.db2.gz LJGBDZYCOPBCBL-QGZVFWFLSA-N 0 0 466.003 2.981 40 0 JFABRN CO[C@]12C[C@@H]3[C@H]([C@H](C)C1=CC(=O)O2)[C@H](O)[C@H](OC(C)=O)[C@@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]31C ZINC000253389906 291485849 /nfs/dbraw/zinc/48/58/49/291485849.db2.gz MIFAMIONJNEQDA-CLCMDNMASA-N 0 0 464.555 2.765 40 0 biogenic,in-vitro JFABRN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000000922124 193972849 /nfs/dbraw/zinc/97/28/49/193972849.db2.gz RJIASHCKUJGXHD-UHFFFAOYSA-N 0 0 462.539 2.933 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000927459 193979459 /nfs/dbraw/zinc/97/94/59/193979459.db2.gz LTQBKVIODCWNCC-UHFFFAOYSA-N 0 0 460.538 2.897 40 0 JFABRN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1 ZINC000000931319 193983219 /nfs/dbraw/zinc/98/32/19/193983219.db2.gz QAKXMMOJIZATMP-UHFFFAOYSA-N 0 0 462.553 2.650 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccnc1)C(=S)NC[C@H]1CCCO1)OCO3 ZINC000001224866 194076196 /nfs/dbraw/zinc/07/61/96/194076196.db2.gz AVAMDIGYPBVMIQ-GOSISDBHSA-N 0 0 452.536 2.708 40 0 JFABRN O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000001330947 194089243 /nfs/dbraw/zinc/08/92/43/194089243.db2.gz SLWISGNVEGLLCL-UHFFFAOYSA-N 0 0 464.913 2.711 40 0 JFABRN O=S(=O)(NCCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000001325278 194086553 /nfs/dbraw/zinc/08/65/53/194086553.db2.gz LDNVOBZWHQOJJW-UHFFFAOYSA-N 0 0 466.581 2.547 40 0 JFABRN O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000001325607 194086704 /nfs/dbraw/zinc/08/67/04/194086704.db2.gz LILINBOPSFYQED-UHFFFAOYSA-N 0 0 481.615 2.948 40 0 JFABRN Cc1cc2cc(CN(C[C@@H]3COCCO3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000001335241 194093924 /nfs/dbraw/zinc/09/39/24/194093924.db2.gz VSJYZMNMZFNSOG-HXUWFJFHSA-N 0 0 460.527 2.890 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2cccs2)cc1 ZINC000001333385 194091754 /nfs/dbraw/zinc/09/17/54/194091754.db2.gz PEUYICVZZRAJKU-UHFFFAOYSA-N 0 0 493.632 2.828 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C2CC2)cc1 ZINC000001333434 194091921 /nfs/dbraw/zinc/09/19/21/194091921.db2.gz UKQBEJMIVPNYLY-UHFFFAOYSA-N 0 0 465.597 2.509 40 0 JFABRN CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2Cc2ccc3c(c2)OCO3)cc1C ZINC000001372401 194106209 /nfs/dbraw/zinc/10/62/09/194106209.db2.gz GPWHCEZKXSJCFJ-UHFFFAOYSA-N 0 0 454.512 2.838 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1Cc1ccccc1)Cc1cccnc1)OCCO3 ZINC000001373839 194107981 /nfs/dbraw/zinc/10/79/81/194107981.db2.gz LESRLDZFIPCNGX-UHFFFAOYSA-N 0 0 495.543 2.932 40 0 JFABRN COC(=O)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccccc4Cl)c(=O)n32)cc1 ZINC000001466934 194124795 /nfs/dbraw/zinc/12/47/95/194124795.db2.gz UMBFZIIHIIOXSR-SQWSFHKJSA-N 0 0 482.945 2.848 40 0 JFABRN COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c(OC)c1 ZINC000003372759 194306370 /nfs/dbraw/zinc/30/63/70/194306370.db2.gz FIHZGADKAWBTQQ-UHFFFAOYSA-N 0 0 464.430 2.889 40 0 JFABRN COC(=O)[C@H](NC(=O)[C@@H]1[C@@H](NC(=O)Nc2cccc(SC)c2)CCN1C(=O)C=C(C)C)C(C)C ZINC000003839223 194362528 /nfs/dbraw/zinc/36/25/28/194362528.db2.gz XXCDIWNJKOIWJC-TYPHKJRUSA-N 0 0 490.626 2.780 40 0 biogenic,in-vitro JFABRN COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(NS(=O)(=O)c3cccs3)c2=O)cc1 ZINC000003841448 194363452 /nfs/dbraw/zinc/36/34/52/194363452.db2.gz UWYSEPYWQCPCTK-DOTOQJQBSA-N 0 0 485.587 2.979 40 0 biogenic,in-vitro JFABRN O=C(COc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(NS(=O)(=O)c3cccc(F)c3)ccc12 ZINC000003841470 194363458 /nfs/dbraw/zinc/36/34/58/194363458.db2.gz FCMLMIHNQAXAAG-ZWKOTPCHSA-N 0 0 497.548 2.813 40 0 biogenic,in-vitro JFABRN CC(C)(C)NC(=O)[C@H]1N(c2cccnc2)C(=O)[C@@H]2[C@H](C(=O)Nc3ccccc3F)[C@]3(C)C=C[C@@]21O3 ZINC000004083301 194376265 /nfs/dbraw/zinc/37/62/65/194376265.db2.gz JSWKVDFMYAQIAI-PRRCRQMASA-N 0 0 478.524 2.819 40 0 JFABRN O[C@H]1[C@H](OCc2ccccc2)[C@@H](O)[C@H](O)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000004100781 194377573 /nfs/dbraw/zinc/37/75/73/194377573.db2.gz IXMGEOOZRLCUTD-OGUPRHQYSA-N 0 0 450.531 2.839 40 0 JFABRN COc1cc(NC(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(c3ncccn3)C2)cc(OC)c1 ZINC000004236254 194385475 /nfs/dbraw/zinc/38/54/75/194385475.db2.gz UQTXBAMGQUUEBN-JKSUJKDBSA-N 0 0 462.510 2.923 40 0 biogenic,in-vitro JFABRN O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@@H]2[C@@H](n3nnnc3Sc3ncccn3)CO[C@H]12 ZINC000004259349 194386550 /nfs/dbraw/zinc/38/65/50/194386550.db2.gz URDCFAWMQBWZJE-GBJTYRQASA-N 0 0 495.443 2.589 40 0 biogenic,in-vitro JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1OCC ZINC000004388966 194388835 /nfs/dbraw/zinc/38/88/35/194388835.db2.gz DNKPWGWSAXYBOD-XMMPIXPASA-N 0 0 499.564 2.600 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1cc(OC)ccc1OC ZINC000004400310 194389110 /nfs/dbraw/zinc/38/91/10/194389110.db2.gz IFYDGNLBHWWENH-VWLOTQADSA-N 0 0 495.580 2.724 40 0 JFABRN COc1cc([C@H]2c3cc4c(cc3[C@H](OC(C)=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000004683018 194393554 /nfs/dbraw/zinc/39/35/54/194393554.db2.gz SASVNKPCTLROPQ-JNHSIYEJSA-N 0 0 456.447 2.980 40 0 JFABRN CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)c3cccs3)n2)cc1 ZINC000005397829 194405439 /nfs/dbraw/zinc/40/54/39/194405439.db2.gz KKZKULGYMKMMEB-FMWKFLBASA-N 0 0 451.552 2.648 40 0 biogenic,in-vitro JFABRN CN(C)c1ccc(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccc(N(C)C)cc3)n2)cc1 ZINC000005397852 194405602 /nfs/dbraw/zinc/40/56/02/194405602.db2.gz DIRATGWTNFUXIT-CXSMSNRLSA-N 0 0 488.592 2.652 40 0 biogenic,in-vitro JFABRN CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000006088633 194412096 /nfs/dbraw/zinc/41/20/96/194412096.db2.gz JYHUEBOYIHDGOV-UHFFFAOYSA-N 0 0 490.563 2.617 40 0 JFABRN CC(=O)OC[C@H]1O[C@@H](c2cccc3c2c2ccccc2n3S(=O)(=O)c2ccccc2)[C@@H](O)[C@@H]1O ZINC000005760715 194407434 /nfs/dbraw/zinc/40/74/34/194407434.db2.gz JUURWDHVEPLGIB-VGCGRUFVSA-N 0 0 481.526 2.756 40 0 JFABRN COCCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006238953 194421469 /nfs/dbraw/zinc/42/14/69/194421469.db2.gz PZWWDUOVHQECNP-UHFFFAOYSA-N 0 0 483.546 2.899 40 0 JFABRN CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O ZINC000006134935 194413497 /nfs/dbraw/zinc/41/34/97/194413497.db2.gz DLESLZSNPIALHC-MOPGFXCFSA-N 0 0 478.590 2.603 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1 ZINC000008995076 194500135 /nfs/dbraw/zinc/50/01/35/194500135.db2.gz RWVXJOYOODFAMD-RUZDIDTESA-N 0 0 494.548 2.935 40 0 JFABRN COC(=O)c1ccc([C@@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 ZINC000012661067 195080922 /nfs/dbraw/zinc/08/09/22/195080922.db2.gz KCYAMSVWSIIKMK-IZZGNVEXSA-N 0 0 462.539 2.911 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C)C(=O)NC3CCCC3)n2)cc1 ZINC000012701196 195091504 /nfs/dbraw/zinc/09/15/04/195091504.db2.gz JQQGIAGRDVHAIY-SFHVURJKSA-N 0 0 490.564 2.853 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000012701435 195091574 /nfs/dbraw/zinc/09/15/74/195091574.db2.gz AIPQEJLMXGYRRJ-INIZCTEOSA-N 0 0 496.543 2.977 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000012701723 195091737 /nfs/dbraw/zinc/09/17/37/195091737.db2.gz INYDXDAHQZGDKZ-INIZCTEOSA-N 0 0 494.527 2.731 40 0 JFABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000012703308 195091892 /nfs/dbraw/zinc/09/18/92/195091892.db2.gz MOELCGUYPFGWQU-IBGZPJMESA-N 0 0 467.551 2.860 40 0 JFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000012711190 195095194 /nfs/dbraw/zinc/09/51/94/195095194.db2.gz AENZJKNOHRVWQO-IFXJQAMLSA-N 0 0 499.618 2.877 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N ZINC000012711167 195095206 /nfs/dbraw/zinc/09/52/06/195095206.db2.gz CQBKQTNTHHFVDQ-KBXCAEBGSA-N 0 0 485.591 2.569 40 0 JFABRN CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3F)CC1)C(=O)C(C)(C)O2 ZINC000012875900 195166106 /nfs/dbraw/zinc/16/61/06/195166106.db2.gz GJJOXPOGVIOCLF-UHFFFAOYSA-N 0 0 482.556 2.817 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc(OC)c1OC ZINC000020802442 195227418 /nfs/dbraw/zinc/22/74/18/195227418.db2.gz URBMYRSNFSLSQT-VQTJNVASSA-N 0 0 453.495 2.815 40 0 JFABRN COc1ccc(Br)cc1CNC(=O)Cn1ncn2c(cc3cc(F)ccc32)c1=O ZINC000020862952 195234064 /nfs/dbraw/zinc/23/40/64/195234064.db2.gz LYYCNJPQXLDMTE-UHFFFAOYSA-N 0 0 459.275 2.876 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cc(OC)ccc3[nH]c2=O)CC1 ZINC000057531015 195350726 /nfs/dbraw/zinc/35/07/26/195350726.db2.gz YJHWVNNCAVNVTL-HXUWFJFHSA-N 0 0 468.558 2.643 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)cc2c1 ZINC000057589526 195351531 /nfs/dbraw/zinc/35/15/31/195351531.db2.gz RZNRCCHQSAJXOA-HSZRJFAPSA-N 0 0 462.529 2.811 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)N3CCC(O)CC3)cc2c1 ZINC000057594876 195352114 /nfs/dbraw/zinc/35/21/14/195352114.db2.gz KNRLOKWXRALICA-XMMPIXPASA-N 0 0 490.564 2.516 40 0 JFABRN Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@H]3CCCO3)Cc3ccc4c(c3)OCO4)cc2c1 ZINC000057606957 195352688 /nfs/dbraw/zinc/35/26/88/195352688.db2.gz ZMEQWQCQFLEBPH-OAQYLSRUSA-N 0 0 488.548 2.933 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000057608438 195353252 /nfs/dbraw/zinc/35/32/52/195353252.db2.gz NWBSUMBMOAINBK-NZQKXSOJSA-N 0 0 478.553 2.833 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000057608138 195353276 /nfs/dbraw/zinc/35/32/76/195353276.db2.gz XTHSKNDRARHFBI-NZQKXSOJSA-N 0 0 478.553 2.833 40 0 JFABRN COCCn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057615848 195353794 /nfs/dbraw/zinc/35/37/94/195353794.db2.gz LMLAEUWAFBKUFL-UHFFFAOYSA-N 0 0 476.537 2.709 40 0 JFABRN COCCn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057615847 195353920 /nfs/dbraw/zinc/35/39/20/195353920.db2.gz ZJANCKWZVBWXCD-UHFFFAOYSA-N 0 0 462.554 2.989 40 0 JFABRN COCCn1nnnc1CN(Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057640407 195354221 /nfs/dbraw/zinc/35/42/21/195354221.db2.gz YSCZEGIKVYEPID-UHFFFAOYSA-N 0 0 478.553 2.689 40 0 JFABRN CC[C@@H](c1nnnn1CCOC)N(Cc1cccnc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641408 195355634 /nfs/dbraw/zinc/35/56/34/195355634.db2.gz MWOWHPRBBCNDKD-NRFANRHFSA-N 0 0 493.568 2.727 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641811 195355904 /nfs/dbraw/zinc/35/59/04/195355904.db2.gz IIPOXJJHARQFLZ-UGKGYDQZSA-N 0 0 482.585 2.827 40 0 JFABRN C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCN(Cc4ccccc4)C3)cc2)C1 ZINC000057698515 195357760 /nfs/dbraw/zinc/35/77/60/195357760.db2.gz RHVXDFCUHNJDFT-FQEVSTJZSA-N 0 0 477.652 2.961 40 0 aggregator JFABRN O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C2)cc1 ZINC000057698601 195357827 /nfs/dbraw/zinc/35/78/27/195357827.db2.gz VNUPNLHCYRJBBT-UHFFFAOYSA-N 0 0 463.625 2.762 40 0 JFABRN CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C[C@@H]1NC(=O)c2cc(OC)ccc21 ZINC000057730782 195358967 /nfs/dbraw/zinc/35/89/67/195358967.db2.gz JHJAKKJOYRMGRH-KUHUBIRLSA-N 0 0 452.536 2.750 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000059600487 195410933 /nfs/dbraw/zinc/41/09/33/195410933.db2.gz PLXNSFKSEASEIL-SRKIZSPNSA-N 0 0 498.532 2.660 40 0 JFABRN CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224837194 195464701 /nfs/dbraw/zinc/46/47/01/195464701.db2.gz LTOOHJTXWSYWLA-UHFFFAOYSA-N 0 0 494.013 2.897 40 0 JFABRN CC(=O)[C@@H]1C[C@@H](CC(=O)N[C@@H](O)C(Br)(Br)Br)C1(C)C ZINC000016138959 518206405 /nfs/dbraw/zinc/20/64/05/518206405.db2.gz ACVOQMCJYKGONO-NRPADANISA-N 0 0 463.992 2.901 40 0 JFABRN CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4Cc4ccc5c(c4)OCO5)n3)ccn2)CC1 ZINC000049154983 519590433 /nfs/dbraw/zinc/59/04/33/519590433.db2.gz GDCFMFUKTAPIFZ-FQEVSTJZSA-N 0 0 476.537 2.866 40 0 biogenic,in-vitro JFABRN CC(C)CCNC(=O)[C@@H](c1ccncc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 ZINC000006076935 519659402 /nfs/dbraw/zinc/65/94/02/519659402.db2.gz PUMLHRWNFVTKRK-LJQANCHMSA-N 0 0 466.567 2.770 40 0 JFABRN CC(=O)N[C@@H](Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(c2c3c(nc4ncnn42)CCC3)CC1 ZINC000013565738 519687611 /nfs/dbraw/zinc/68/76/11/519687611.db2.gz JTPQTLAYXWGIGK-DEOSSOPVSA-N 0 0 489.624 2.569 40 0 JFABRN CC(C)NC(=O)CCn1c2nn(Cc3cccc(C(F)(F)F)c3)c(=O)n2c2ccccc2c1=O ZINC000033169978 519704436 /nfs/dbraw/zinc/70/44/36/519704436.db2.gz CIJIQARKILRMCT-UHFFFAOYSA-N 0 0 473.455 2.793 40 0 JFABRN CC(=O)Oc1ccc([C@H]2c3cc(OC(C)=O)c(OC(C)=O)cc3C[C@@H]3C(=O)OC[C@@H]32)cc1OC(C)=O ZINC000004404422 519759638 /nfs/dbraw/zinc/75/96/38/519759638.db2.gz DNMNGEFEECGXMP-RLSLOFABSA-N 0 0 496.468 2.865 40 0 JFABRN CCCn1nnnc1NC(=S)NC(=O)c1cc(Br)cc(Br)c1OC ZINC000022714204 519897051 /nfs/dbraw/zinc/89/70/51/519897051.db2.gz NNDGVQOZTFHZCT-UHFFFAOYSA-N 0 0 478.170 2.744 40 0 JFABRN CCCCCCSC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000008665868 520108339 /nfs/dbraw/zinc/10/83/39/520108339.db2.gz QWAPZLBVSLSCGX-CIAFKFPVSA-N 0 0 492.587 2.590 40 0 JFABRN CCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCOC)c1ccc(OC)cc1 ZINC000004373422 520346052 /nfs/dbraw/zinc/34/60/52/520346052.db2.gz WTZMVICAJFJUBD-QHCPKHFHSA-N 0 0 453.543 2.573 40 0 JFABRN CCOC(=O)C=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(=O)c1ccc(Cl)cc1 ZINC000033686854 520403772 /nfs/dbraw/zinc/40/37/72/520403772.db2.gz NEPQFHHZZAKBSE-STLXZYOISA-N 0 0 457.935 2.627 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000016682414 520481558 /nfs/dbraw/zinc/48/15/58/520481558.db2.gz AFTJTDQYCCAJIH-YOKWNPFVSA-N 0 0 492.553 2.844 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000033497409 520486960 /nfs/dbraw/zinc/48/69/60/520486960.db2.gz RLEKSHMHTOKPOD-CYEGBWLXSA-N 0 0 470.572 2.877 40 0 JFABRN CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccccc3CN3CCOCC3)c(=O)n1C2 ZINC000020503630 520529313 /nfs/dbraw/zinc/52/93/13/520529313.db2.gz YCPZIPOGYPRGAK-PZJWPPBQSA-N 0 0 471.623 2.506 40 0 biogenic,in-vitro JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000016682745 520561578 /nfs/dbraw/zinc/56/15/78/520561578.db2.gz NXZIVOBGFDYFQP-UHFFFAOYSA-N 0 0 460.552 2.976 40 0 JFABRN CCOC(=O)CN(C(=O)CSc1nc2ccccc2c(=O)n1CCOC)c1ccccc1 ZINC000006546421 520722604 /nfs/dbraw/zinc/72/26/04/520722604.db2.gz NPPUCMZAYMEGDJ-UHFFFAOYSA-N 0 0 455.536 2.731 40 0 JFABRN CCCCOc1ccc(N(CC(=O)NCCC(C)C)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006481023 520883474 /nfs/dbraw/zinc/88/34/74/520883474.db2.gz IHPKGEVPBXJLOS-UHFFFAOYSA-N 0 0 461.588 2.812 40 0 JFABRN CCCCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000006481052 520883942 /nfs/dbraw/zinc/88/39/42/520883942.db2.gz KCPDMUVCZAEJII-CYBMUJFWSA-N 0 0 461.588 2.953 40 0 JFABRN CCOC(=O)Cc1csc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2C)n1 ZINC000006547330 520910195 /nfs/dbraw/zinc/91/01/95/520910195.db2.gz VPPXABXLWURYDJ-UHFFFAOYSA-N 0 0 461.569 2.995 40 0 JFABRN CCC[C@H](C(=O)NCc1ccc(OC)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000004399956 520982720 /nfs/dbraw/zinc/98/27/20/520982720.db2.gz BEBXDEUGDCSONT-QGZVFWFLSA-N 0 0 485.566 2.553 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc3c(c2)OCO3)cc1Cl ZINC000039986553 521189313 /nfs/dbraw/zinc/18/93/13/521189313.db2.gz ZFCKGJKVUMVAAS-UHFFFAOYSA-N 0 0 454.932 2.794 40 0 JFABRN CCC(=O)Nc1cc(NC(=O)CSc2nnnn2-c2ccc(C(=O)OC)cc2)ccc1C ZINC000006461919 521197396 /nfs/dbraw/zinc/19/73/96/521197396.db2.gz CCZZFLYNVCUSKU-UHFFFAOYSA-N 0 0 454.512 2.837 40 0 JFABRN CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2 ZINC000013501862 521313420 /nfs/dbraw/zinc/31/34/20/521313420.db2.gz JFZJUYMYTUYZEU-UHFFFAOYSA-N 0 0 460.556 2.971 40 0 JFABRN CCOC(=O)c1c2cc(OC)c(Br)cc2n(CC(=O)OC)c1CN1CCOCC1 ZINC000020437129 521420588 /nfs/dbraw/zinc/42/05/88/521420588.db2.gz CWPTXECXYYAWHU-UHFFFAOYSA-N 0 0 469.332 2.594 40 0 JFABRN CCOC(=O)c1cc(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)ccc1Cl ZINC000044880736 521439033 /nfs/dbraw/zinc/43/90/33/521439033.db2.gz SFMNMYPQHXCUTF-UHFFFAOYSA-N 0 0 470.931 2.939 40 0 JFABRN CCOC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000006195150 521525596 /nfs/dbraw/zinc/52/55/96/521525596.db2.gz RMMFLUXGLJOROS-UHFFFAOYSA-N 0 0 472.563 2.895 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1C ZINC000044911744 521542444 /nfs/dbraw/zinc/54/24/44/521542444.db2.gz MRYYJXHRLPJFQF-SFHVURJKSA-N 0 0 452.916 2.991 40 0 JFABRN COC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnnn1-c1cc(OC)ccc1OC ZINC000012468238 521753150 /nfs/dbraw/zinc/75/31/50/521753150.db2.gz UWINVPVDSRUXBV-UHFFFAOYSA-N 0 0 491.551 2.769 40 0 JFABRN COC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)sc2c1CCCC2 ZINC000020245301 521765870 /nfs/dbraw/zinc/76/58/70/521765870.db2.gz OURMYKLCXSZLDE-UHFFFAOYSA-N 0 0 469.560 2.804 40 0 JFABRN CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 ZINC000012472589 521849309 /nfs/dbraw/zinc/84/93/09/521849309.db2.gz BQJSJOWNCRHJEX-KRWDZBQOSA-N 0 0 485.541 2.714 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)ccc1Cl ZINC000020042387 521887687 /nfs/dbraw/zinc/88/76/87/521887687.db2.gz SYTXNYKLAUXXOD-INIZCTEOSA-N 0 0 459.307 2.946 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)ccc1Cl ZINC000020042390 521887781 /nfs/dbraw/zinc/88/77/81/521887781.db2.gz SYTXNYKLAUXXOD-MRXNPFEDSA-N 0 0 459.307 2.946 40 0 JFABRN COc1cc(-c2ccc(NC(=O)CSC(N)=O)c(OC)c2)ccc1NC(=O)CSC(N)=O ZINC000004706417 521898153 /nfs/dbraw/zinc/89/81/53/521898153.db2.gz ZHKMAXNOVZMUDV-UHFFFAOYSA-N 0 0 478.552 2.872 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000012467297 522154831 /nfs/dbraw/zinc/15/48/31/522154831.db2.gz GCYNZACHSPMZKD-HSZRJFAPSA-N 0 0 477.544 2.520 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3cccc(F)c3)nnc1n(C)c2=O ZINC000033256804 522220884 /nfs/dbraw/zinc/22/08/84/522220884.db2.gz PMBNMBVCRKRBCP-CYBMUJFWSA-N 0 0 482.541 2.979 40 0 JFABRN COc1cc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)ccc1OC(C)C ZINC000020488750 522430278 /nfs/dbraw/zinc/43/02/78/522430278.db2.gz WSHZBUAEIMIRJQ-FQEVSTJZSA-N 0 0 468.959 2.979 40 0 JFABRN CN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000016187592 522437620 /nfs/dbraw/zinc/43/76/20/522437620.db2.gz TYJVCQGVWUBHSL-VMPITWQZSA-N 0 0 492.439 2.927 40 0 JFABRN COc1cc(NC(=O)N2CCN(C)CC2)ccc1-c1ccc(NC(=O)N2CCN(C)CC2)cc1OC ZINC000004791924 522686127 /nfs/dbraw/zinc/68/61/27/522686127.db2.gz GXWLZMHIFUUPDV-UHFFFAOYSA-N 0 0 496.612 2.929 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000013673452 522907893 /nfs/dbraw/zinc/90/78/93/522907893.db2.gz IRJDBXIWIFDMJA-UHFFFAOYSA-N 0 0 460.552 2.611 40 0 JFABRN COc1cc([C@@H]2OC(=O)[C@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC(=O)[C@H]23)cc(OC)c1OC ZINC000008655239 522931810 /nfs/dbraw/zinc/93/18/10/522931810.db2.gz CXVHFGPMGPBZMK-FGYAAKKASA-N 0 0 474.462 2.867 40 0 JFABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000022527784 523052251 /nfs/dbraw/zinc/05/22/51/523052251.db2.gz UMAPBBPNTCMNHP-LJQANCHMSA-N 0 0 464.540 2.521 40 0 JFABRN COc1cc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1OC ZINC000006239417 523059101 /nfs/dbraw/zinc/05/91/01/523059101.db2.gz NCLAUKOZCNWTJW-SFHVURJKSA-N 0 0 458.536 2.915 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000012480942 523270110 /nfs/dbraw/zinc/27/01/10/523270110.db2.gz YAJHMJFNMYHUCP-GOSISDBHSA-N 0 0 492.580 2.833 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000019867523 523368404 /nfs/dbraw/zinc/36/84/04/523368404.db2.gz DJVUMTLYFFDWBH-UHFFFAOYSA-N 0 0 465.597 2.554 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000019868618 523368587 /nfs/dbraw/zinc/36/85/87/523368587.db2.gz UDSGIEJYQMLGRO-UHFFFAOYSA-N 0 0 491.585 2.773 40 0 JFABRN COc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000067897629 523669953 /nfs/dbraw/zinc/66/99/53/523669953.db2.gz QQHKRWUCWJGKGA-MOPGFXCFSA-N 0 0 450.413 2.846 40 0 biogenic,in-vitro JFABRN COc1ccc(C(=O)N[C@H](C)c2ccc(SC)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000020025007 523735175 /nfs/dbraw/zinc/73/51/75/523735175.db2.gz IIXVADQPGMOLRP-OAHLLOKOSA-N 0 0 450.582 2.929 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)c2ccccc2O1 ZINC000014571699 523744077 /nfs/dbraw/zinc/74/40/77/523744077.db2.gz LLBLCYCPCHPKKT-NRFANRHFSA-N 0 0 488.562 2.841 40 0 JFABRN COc1ccc(C(=O)Nc2ccc(I)cc2)cc1S(=O)(=O)N(C)C ZINC000014862770 523751634 /nfs/dbraw/zinc/75/16/34/523751634.db2.gz ULZKBIHNPATWNQ-UHFFFAOYSA-N 0 0 460.293 2.802 40 0 JFABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(OC)cc1 ZINC000013503018 523770390 /nfs/dbraw/zinc/77/03/90/523770390.db2.gz QOEXDBLRRZWRHY-JOCHJYFZSA-N 0 0 491.610 2.823 40 0 JFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013686497 523804196 /nfs/dbraw/zinc/80/41/96/523804196.db2.gz JVBGSCRCELVUMV-GHTZIAJQSA-N 0 0 477.558 2.918 40 0 JFABRN CO[C@@]12C[C@@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@@]31C ZINC000035465163 523818534 /nfs/dbraw/zinc/81/85/34/523818534.db2.gz MIFAMIONJNEQDA-LDPGXWFKSA-N 0 0 464.555 2.765 40 0 biogenic,in-vitro JFABRN COCCNC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 ZINC000013509356 523912461 /nfs/dbraw/zinc/91/24/61/523912461.db2.gz QTDFXLDRJJADLP-XMMPIXPASA-N 0 0 458.522 2.672 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013509195 523918404 /nfs/dbraw/zinc/91/84/04/523918404.db2.gz FMABOUITZGXBAU-VWLOTQADSA-N 0 0 473.533 2.977 40 0 JFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)c(OC)c1OC ZINC000044838608 524046217 /nfs/dbraw/zinc/04/62/17/524046217.db2.gz CXQLOVDCEVARJN-UHFFFAOYSA-N 0 0 476.595 2.879 40 0 JFABRN COc1ccc(CNC(=O)[C@@H](c2ccco2)N(CCCO)C(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000012472235 524062419 /nfs/dbraw/zinc/06/24/19/524062419.db2.gz JIKOQGNHPOEKPD-DNQXCXABSA-N 0 0 480.517 2.697 40 0 JFABRN COc1ccc(Cc2nn3c(nn(CC(=O)Nc4cc(C)cc(C)c4)c3=S)[nH]c2=O)cc1 ZINC000016778147 524166025 /nfs/dbraw/zinc/16/60/25/524166025.db2.gz FTOGXNFQBPRPAT-UHFFFAOYSA-N 0 0 450.524 2.804 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000016187668 524247077 /nfs/dbraw/zinc/24/70/77/524247077.db2.gz KWBVMARIWMHXLH-UHFFFAOYSA-N 0 0 472.394 2.971 40 0 JFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccco2)cc1 ZINC000006074663 524337857 /nfs/dbraw/zinc/33/78/57/524337857.db2.gz XUQOTVQGLUFEED-QGZVFWFLSA-N 0 0 471.539 2.729 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000044885064 524360469 /nfs/dbraw/zinc/36/04/69/524360469.db2.gz NYLSQNZWRUJLQP-UHFFFAOYSA-N 0 0 462.959 2.925 40 0 JFABRN COc1ccccc1N(CC(=O)NCCC(C)C)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000012479197 524527508 /nfs/dbraw/zinc/52/75/08/524527508.db2.gz FOIAIVAIIKDOBI-UHFFFAOYSA-N 0 0 450.543 2.853 40 0 JFABRN Cc1ccc(Cn2c(SCC(=O)Nc3ccc(F)c(F)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000016292515 524766216 /nfs/dbraw/zinc/76/62/16/524766216.db2.gz OUPJSGHIJMOMNR-UHFFFAOYSA-N 0 0 485.516 2.799 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000020489506 525022907 /nfs/dbraw/zinc/02/29/07/525022907.db2.gz RXFAYKSSXRQZOP-UHFFFAOYSA-N 0 0 457.552 2.854 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000020453641 525023877 /nfs/dbraw/zinc/02/38/77/525023877.db2.gz QYOIMXPARVFEDB-UHFFFAOYSA-N 0 0 454.552 2.904 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2cccc(C(F)(F)F)c2)cc1 ZINC000067897627 525047654 /nfs/dbraw/zinc/04/76/54/525047654.db2.gz QFOKWKWRRKUOAG-MOPGFXCFSA-N 0 0 470.469 2.515 40 0 biogenic,in-vitro JFABRN COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)Cc4ccccc4)c(=O)n2C3)cc1 ZINC000004236525 525047955 /nfs/dbraw/zinc/04/79/55/525047955.db2.gz WBRQSFJYYSTXPO-VQTJNVASSA-N 0 0 493.585 2.846 40 0 biogenic,in-vitro JFABRN COc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000016217315 525064161 /nfs/dbraw/zinc/06/41/61/525064161.db2.gz DGRSCYILIRXJDC-ROUUACIJSA-N 0 0 482.624 2.767 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)cc1C(=O)N1CCCC1 ZINC000020493328 525065735 /nfs/dbraw/zinc/06/57/35/525065735.db2.gz ZPOXRVOALUDVFN-UHFFFAOYSA-N 0 0 454.552 2.904 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(N)=O)cc2)cc1C ZINC000020008990 525069986 /nfs/dbraw/zinc/06/99/86/525069986.db2.gz NGHQFVXMWUDCTG-NRFANRHFSA-N 0 0 467.547 2.631 40 0 JFABRN COc1ncn([C@H]2C[C@@H](OC(=O)c3ccc(C)cc3)[C@H](COC(=O)c3ccc(C)cc3)O2)c(=O)n1 ZINC000005124790 525076487 /nfs/dbraw/zinc/07/64/87/525076487.db2.gz ZUWKKHQJSZOTKK-QHAWAJNXSA-N 0 0 479.489 2.634 40 0 JFABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006074998 525115810 /nfs/dbraw/zinc/11/58/10/525115810.db2.gz YAQFUXSUGBGXQO-IBGZPJMESA-N 0 0 496.593 2.526 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccccc2Cl)no1 ZINC000013505874 525120163 /nfs/dbraw/zinc/12/01/63/525120163.db2.gz SSDCQVBHIAKCOY-KRWDZBQOSA-N 0 0 462.934 2.679 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 ZINC000044848057 525133848 /nfs/dbraw/zinc/13/38/48/525133848.db2.gz YEAFFUZKJAZWSL-CYBMUJFWSA-N 0 0 488.347 2.943 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000020015685 525134078 /nfs/dbraw/zinc/13/40/78/525134078.db2.gz GIRYQWNORZDDLT-CYBMUJFWSA-N 0 0 456.948 2.864 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC ZINC000044900518 525139614 /nfs/dbraw/zinc/13/96/14/525139614.db2.gz OBXSYFIEVSKNMX-CABCVRRESA-N 0 0 464.540 2.507 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)cc1 ZINC000020033029 525298266 /nfs/dbraw/zinc/29/82/66/525298266.db2.gz ZJLGEHGNRRWJGA-UHFFFAOYSA-N 0 0 487.603 2.692 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)cc1C ZINC000044883263 525301485 /nfs/dbraw/zinc/30/14/85/525301485.db2.gz KILMKSIIZKLGPM-GOSISDBHSA-N 0 0 494.639 2.561 40 0 JFABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 ZINC000044848053 525305242 /nfs/dbraw/zinc/30/52/42/525305242.db2.gz YEAFFUZKJAZWSL-ZDUSSCGKSA-N 0 0 488.347 2.943 40 0 JFABRN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1N1CCCC1=O ZINC000020493070 525421194 /nfs/dbraw/zinc/42/11/94/525421194.db2.gz FIKNDLQXEIJMEB-UHFFFAOYSA-N 0 0 463.581 2.707 40 0 JFABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc43)cc2c1 ZINC000006176784 525478663 /nfs/dbraw/zinc/47/86/63/525478663.db2.gz SCFMERLVFXLPGK-AUSIDOKSSA-N 0 0 458.522 2.854 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)C2)cc1 ZINC000006161905 525536151 /nfs/dbraw/zinc/53/61/51/525536151.db2.gz GHBNIOGEQWTQHC-KRWDZBQOSA-N 0 0 482.541 2.991 40 0 JFABRN COc1ccc2c(c1OC)C(=O)N1CCc3c(Br)c(OC)c4c(c3[C@@H]1[C@@H]2O)OCO4 ZINC000095470466 525611140 /nfs/dbraw/zinc/61/11/40/525611140.db2.gz KXRBFODKEMDLDG-HZPDHXFCSA-N 0 0 478.295 2.990 40 0 JFABRN Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccc(F)cc2)c1 ZINC000004093581 525677062 /nfs/dbraw/zinc/67/70/62/525677062.db2.gz VRDDLKSPKDLLES-HXUWFJFHSA-N 0 0 456.518 2.572 40 0 JFABRN C[C@H](C(=O)NCc1cccnc1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cnccn3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466955 526086885 /nfs/dbraw/zinc/08/68/85/526086885.db2.gz QARGDVLSYMDPME-MTWOVEBYSA-N 0 0 465.598 2.746 40 0 biogenic,in-vitro JFABRN COc1cccc(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3CCC(=O)NC(C)C)c1 ZINC000033292003 526179347 /nfs/dbraw/zinc/17/93/47/526179347.db2.gz UNUIBSVWOTZSKE-UHFFFAOYSA-N 0 0 494.577 2.698 40 0 JFABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000033161469 526521226 /nfs/dbraw/zinc/52/12/26/526521226.db2.gz WXSQAFPFXVQXPK-MOPGFXCFSA-N 0 0 471.579 2.635 40 0 JFABRN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)Nc1ccc2c(c1)OCCO2 ZINC000013572593 527009827 /nfs/dbraw/zinc/00/98/27/527009827.db2.gz AGRSGPXAEMARLR-LSDHHAIUSA-N 0 0 457.577 2.695 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccc(O)cc2)c1N ZINC000012474209 527104975 /nfs/dbraw/zinc/10/49/75/527104975.db2.gz CVILMJKCLJAHKW-HXUWFJFHSA-N 0 0 479.562 2.977 40 0 JFABRN O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)NC1CCCCC1)N1CCN(c2ccccc2)CC1 ZINC000009668436 527154039 /nfs/dbraw/zinc/15/40/39/527154039.db2.gz SDGIGRNYIWVPIX-HJOGWXRNSA-N 0 0 481.641 2.879 40 0 JFABRN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)c1ccnc(Cl)c1 ZINC000067896749 527259308 /nfs/dbraw/zinc/25/93/08/527259308.db2.gz VBVXNJPZDIPLFG-DENIHFKCSA-N 0 0 452.898 2.843 40 0 biogenic,in-vitro JFABRN Cc1nccn1-c1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000020460577 527386696 /nfs/dbraw/zinc/38/66/96/527386696.db2.gz BDYSNUSEDYEYTL-UHFFFAOYSA-N 0 0 474.970 2.785 40 0 JFABRN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1C=C([O-])NC(N2CCN(c3ccc(F)cc3)CC2)=[NH+]1 ZINC000014607023 527411579 /nfs/dbraw/zinc/41/15/79/527411579.db2.gz LWHAWXQULFHXNS-SFHVURJKSA-N 0 0 463.435 2.850 40 0 JFABRN COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000096295831 536571748 /nfs/dbraw/zinc/57/17/48/536571748.db2.gz NKHFTZBGCLGXNM-KGYLXKDPSA-N 0 0 458.511 2.646 40 0 JFABRN Cn1c2nc(SCC(=O)c3ccc(F)cc3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000000798892 553783336 /nfs/dbraw/zinc/78/33/36/553783336.db2.gz BQLDTTRDQXYSJU-UHFFFAOYSA-N 0 0 456.474 2.735 40 0 JFABRN Cc1cc2cc(CN(CCN3CCOCC3)C(=S)NCc3ccco3)c(=O)[nH]c2cc1C ZINC000000878889 553814716 /nfs/dbraw/zinc/81/47/16/553814716.db2.gz JFEFOJGGZIXKEW-UHFFFAOYSA-N 0 0 454.596 2.947 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)n2)cc1 ZINC000000882686 553819340 /nfs/dbraw/zinc/81/93/40/553819340.db2.gz FOGJDWZOKAXWLZ-QGZVFWFLSA-N 0 0 454.556 2.850 40 0 JFABRN Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000883733 553820533 /nfs/dbraw/zinc/82/05/33/553820533.db2.gz UZPQPVLNJOFHNY-UHFFFAOYSA-N 0 0 476.555 2.617 40 0 JFABRN O=C(Cn1nnc(-c2ccc(CN3CCOCC3)cc2)n1)Nc1ccc(Br)cc1 ZINC000000907955 553840325 /nfs/dbraw/zinc/84/03/25/553840325.db2.gz PDRAFYWKPJMTJL-UHFFFAOYSA-N 0 0 457.332 2.574 40 0 JFABRN CCOc1ccc(NC(=O)Cn2c(Nc3ccc(OCC)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000917027 553848169 /nfs/dbraw/zinc/84/81/69/553848169.db2.gz JCIOMDWHZWRRID-UHFFFAOYSA-N 0 0 478.509 2.603 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccccc1OC)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000926880 553863517 /nfs/dbraw/zinc/86/35/17/553863517.db2.gz XLPLEJCWHNIEAO-UHFFFAOYSA-N 0 0 490.564 2.906 40 0 JFABRN O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000000933788 553872251 /nfs/dbraw/zinc/87/22/51/553872251.db2.gz MBGBWQNKOVQACC-MRXNPFEDSA-N 0 0 456.611 2.559 40 0 JFABRN Cn1c2ncn(CC[NH2+][C@@H](c3ccccc3)c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000001579528 553979145 /nfs/dbraw/zinc/97/91/45/553979145.db2.gz SGLWLMJSJXFJPV-SFHVURJKSA-N 0 0 468.355 2.575 40 0 JFABRN COc1ccccc1-c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=S)NC2CCCCC2)n1 ZINC000005434211 554490949 /nfs/dbraw/zinc/49/09/49/554490949.db2.gz RCPRIWXELGZZOO-SEIRJHJZSA-N 0 0 469.611 2.896 40 0 biogenic,in-vitro JFABRN CC(=O)OC[C@@H]1O[C@@H](c2cccc3c2c2ccccc2n3S(=O)(=O)c2ccccc2)[C@@H](O)[C@@H]1O ZINC000005760717 554494145 /nfs/dbraw/zinc/49/41/45/554494145.db2.gz JUURWDHVEPLGIB-VHXCZSFDSA-N 0 0 481.526 2.756 40 0 JFABRN COc1ccc(N(CC(=O)NCCC(C)C)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000006134002 554505598 /nfs/dbraw/zinc/50/55/98/554505598.db2.gz QYCQHVPKIGKNEC-UHFFFAOYSA-N 0 0 496.568 2.561 40 0 JFABRN COc1ccccc1N(CC(=O)NCCC(C)C)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006134027 554505906 /nfs/dbraw/zinc/50/59/06/554505906.db2.gz PKUPOEIFSIDDJJ-UHFFFAOYSA-N 0 0 454.506 2.683 40 0 JFABRN CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006134037 554505991 /nfs/dbraw/zinc/50/59/91/554505991.db2.gz KHZFEVVNPWAYMO-QGZVFWFLSA-N 0 0 496.543 2.788 40 0 JFABRN COC(=O)c1ccccc1NC(=S)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006136125 554507809 /nfs/dbraw/zinc/50/78/09/554507809.db2.gz WXBVFDDTJKNESM-UHFFFAOYSA-N 0 0 469.519 2.625 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC(C)CC3)cc2c1 ZINC000006196988 554518881 /nfs/dbraw/zinc/51/88/81/554518881.db2.gz KSBIMSZACOWICP-DENIHFKCSA-N 0 0 452.559 2.914 40 0 JFABRN COCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006239041 554520608 /nfs/dbraw/zinc/52/06/08/554520608.db2.gz TVVBOKUPCXQYNH-UHFFFAOYSA-N 0 0 455.536 2.789 40 0 JFABRN CNC(=O)c1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NCCO)c3)c3ccccc32)cc1 ZINC000006280835 554525017 /nfs/dbraw/zinc/52/50/17/554525017.db2.gz ONGWIKPNKVYMQA-UHFFFAOYSA-N 0 0 491.573 2.979 40 0 JFABRN CCC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006501370 554547642 /nfs/dbraw/zinc/54/76/42/554547642.db2.gz TXJQRZZQCHENPP-MRXNPFEDSA-N 0 0 461.563 2.833 40 0 JFABRN Cn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C ZINC000006530256 554549184 /nfs/dbraw/zinc/54/91/84/554549184.db2.gz ZQSYMRQNRVVZAQ-UHFFFAOYSA-N 0 0 461.547 2.526 40 0 JFABRN CCOC(=O)c1[nH]c(Cc2[nH]c(C(=O)OCC)c(C)c2CC(=O)OC)c(CCC(=O)OC)c1C ZINC000006547840 554550368 /nfs/dbraw/zinc/55/03/68/554550368.db2.gz XPQJPDWVLSKXFI-UHFFFAOYSA-N 0 0 476.526 2.725 40 0 JFABRN CCC[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1 ZINC000006550920 554550759 /nfs/dbraw/zinc/55/07/59/554550759.db2.gz IWFFZCQQXRWIPL-OAQYLSRUSA-N 0 0 461.584 2.814 40 0 JFABRN COc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2CC(=O)N2CCCC2)cc1 ZINC000006552088 554551170 /nfs/dbraw/zinc/55/11/70/554551170.db2.gz OICUPBLOEXAGBY-UHFFFAOYSA-N 0 0 452.540 2.702 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000006631674 554556855 /nfs/dbraw/zinc/55/68/55/554556855.db2.gz PYYTZMIGDLJJCZ-IBGZPJMESA-N 0 0 496.543 2.977 40 0 JFABRN CC[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000006631865 554557025 /nfs/dbraw/zinc/55/70/25/554557025.db2.gz VQJPNFWLYFVDNW-KRWDZBQOSA-N 0 0 451.552 2.562 40 0 JFABRN CCc1ccc(N(CC(=O)NC(C)(C)C)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000006821912 554558525 /nfs/dbraw/zinc/55/85/25/554558525.db2.gz GZEXJSJEDUUSTG-UHFFFAOYSA-N 0 0 480.569 2.868 40 0 JFABRN CCc1nnc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCOC)s1 ZINC000006860974 554559326 /nfs/dbraw/zinc/55/93/26/554559326.db2.gz MBIFHFXLSICQCF-UHFFFAOYSA-N 0 0 494.599 2.762 40 0 JFABRN COCCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1-c1ccccc1 ZINC000006905389 554561294 /nfs/dbraw/zinc/56/12/94/554561294.db2.gz AMNNYRYFWCWIBH-UHFFFAOYSA-N 0 0 457.581 2.971 40 0 JFABRN COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000006973467 554562642 /nfs/dbraw/zinc/56/26/42/554562642.db2.gz UETJUORBXQAPJE-UHFFFAOYSA-N 0 0 466.517 2.575 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccccc2)cc1C ZINC000008816556 554698510 /nfs/dbraw/zinc/69/85/10/554698510.db2.gz RGEOQVIVZWLRCF-UHFFFAOYSA-N 0 0 467.547 2.932 40 0 JFABRN CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000008831625 554723131 /nfs/dbraw/zinc/72/31/31/554723131.db2.gz COSKBQBIQWJKIS-UHFFFAOYSA-N 0 0 468.579 2.889 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000008835500 554734616 /nfs/dbraw/zinc/73/46/16/554734616.db2.gz RSGHLASDJPBFJM-UHFFFAOYSA-N 0 0 495.751 2.719 40 0 JFABRN CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2CCSC)C(=O)Nc2ccc(Br)cc21 ZINC000008971751 554844029 /nfs/dbraw/zinc/84/40/29/554844029.db2.gz YUKOQZBTSJQSDD-ZKNHNOBHSA-N 0 0 466.401 2.723 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCc1ccccc1)c1ccc2c(c1)OCO2)Nc1ccccn1 ZINC000008994713 554854730 /nfs/dbraw/zinc/85/47/30/554854730.db2.gz BSPDQVKNVANFSR-UHFFFAOYSA-N 0 0 460.490 2.879 40 0 JFABRN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](O)c1ccc(Cl)cc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000009058611 554877388 /nfs/dbraw/zinc/87/73/88/554877388.db2.gz FCCFRZPQNNQUST-AIBQHXCESA-N 0 0 453.926 2.594 40 0 JFABRN COc1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c(OC)cc1Cl ZINC000009063845 554881936 /nfs/dbraw/zinc/88/19/36/554881936.db2.gz FHIFEKOUHHDAQD-UHFFFAOYSA-N 0 0 470.931 2.639 40 0 JFABRN CNC(=S)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1N2[C@@H]2C[C@@]1(C)CC(C)(C)C2 ZINC000009186250 554958611 /nfs/dbraw/zinc/95/86/11/554958611.db2.gz YHJGUGBSHQYESE-KEWLPNKHSA-N 0 0 483.638 2.969 40 0 JFABRN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(Cl)cc31)N1CCC[C@@H]21 ZINC000009317552 555092786 /nfs/dbraw/zinc/09/27/86/555092786.db2.gz VWQFHLSYXDDIMQ-GSRZOBFVSA-N 0 0 465.893 2.558 40 0 JFABRN O=C(CNC(=O)c1ccco1)N(Cc1ccco1)[C@H](C(=O)NC1CCCC1)c1cccnc1 ZINC000013150809 555356548 /nfs/dbraw/zinc/35/65/48/555356548.db2.gz XWFUOCFBJDMHFG-QFIPXVFZSA-N 0 0 450.495 2.826 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2)Nc1nccs1 ZINC000013151149 555358537 /nfs/dbraw/zinc/35/85/37/555358537.db2.gz DKJWGMPEODFWNG-UHFFFAOYSA-N 0 0 458.540 2.678 40 0 JFABRN CCOC(=O)[C@@H]1C(c2ccc(C)cc2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F ZINC000013407952 555396882 /nfs/dbraw/zinc/39/68/82/555396882.db2.gz QANCMLFPWRPMBF-FQVGPWKCSA-N 0 0 487.393 2.542 40 0 JFABRN Cc1cc(NC(=O)CCCC(=O)Nc2nnc(CCS(=O)(=O)c3ccc(C)cc3)s2)no1 ZINC000013471094 555402449 /nfs/dbraw/zinc/40/24/49/555402449.db2.gz VXLCFDZVPXIZRV-UHFFFAOYSA-N 0 0 477.568 2.907 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495316 555407136 /nfs/dbraw/zinc/40/71/36/555407136.db2.gz QACJUWQYTJEAOD-QFIPXVFZSA-N 0 0 475.553 2.935 40 0 JFABRN CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496013 555410451 /nfs/dbraw/zinc/41/04/51/555410451.db2.gz QAHPPMOIRKIBLA-LEWJYISDSA-N 0 0 454.575 2.646 40 0 JFABRN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000013496154 555411248 /nfs/dbraw/zinc/41/12/48/555411248.db2.gz COUBVNFOVHVBRQ-UHFFFAOYSA-N 0 0 462.509 2.626 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCO)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500535 555441450 /nfs/dbraw/zinc/44/14/50/555441450.db2.gz XNJGPBGVSYVDLU-JOCHJYFZSA-N 0 0 466.542 2.746 40 0 JFABRN CCC[C@H](c1nnnn1CC(=O)OCC)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500886 555444955 /nfs/dbraw/zinc/44/49/55/555444955.db2.gz VJPSAXQTNKNOAY-RBBKRZOGSA-N 0 0 482.585 2.909 40 0 JFABRN CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501031 555446688 /nfs/dbraw/zinc/44/66/88/555446688.db2.gz JIAFFONCMGSOOU-UNMCSNQZSA-N 0 0 454.575 2.728 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2nccs2)c(OC)c1 ZINC000013501985 555452275 /nfs/dbraw/zinc/45/22/75/555452275.db2.gz XLLOEVMSILATOD-UHFFFAOYSA-N 0 0 472.523 2.822 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000013502479 555455616 /nfs/dbraw/zinc/45/56/16/555455616.db2.gz HECWWGGZJQNFEN-QHCPKHFHSA-N 0 0 465.485 2.696 40 0 JFABRN CCC[C@H](C(=O)NC[C@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000013502853 555457840 /nfs/dbraw/zinc/45/78/40/555457840.db2.gz GMVXCGOYUHEDFB-IFMALSPDSA-N 0 0 491.585 2.601 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H](C(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(OC)cc1 ZINC000013503030 555459032 /nfs/dbraw/zinc/45/90/32/555459032.db2.gz PGZUBWLPKRNUNN-JOCHJYFZSA-N 0 0 493.626 2.925 40 0 JFABRN O=C(CN(Cc1ccc(Cl)cc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1 ZINC000013503092 555459328 /nfs/dbraw/zinc/45/93/28/555459328.db2.gz KWBROVSEKLVEAB-UHFFFAOYSA-N 0 0 493.944 2.696 40 0 JFABRN CCC[C@H](C(=O)NC[C@@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000013503132 555459516 /nfs/dbraw/zinc/45/95/16/555459516.db2.gz LLCLHKYNIXGKCJ-RBBKRZOGSA-N 0 0 491.585 2.601 40 0 JFABRN CC(C)[C@H](C(=O)NC(C)(C)C)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503188 555459883 /nfs/dbraw/zinc/45/98/83/555459883.db2.gz RFWUPMPINOMTED-YLJYHZDGSA-N 0 0 488.050 2.565 40 0 JFABRN O=C(CN(Cc1ccc(F)cc1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 ZINC000013503205 555459936 /nfs/dbraw/zinc/45/99/36/555459936.db2.gz CRYGFTFFYXUQBS-UHFFFAOYSA-N 0 0 493.944 2.696 40 0 JFABRN Cc1ccccc1N(CC(=O)NCc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503242 555460164 /nfs/dbraw/zinc/46/01/64/555460164.db2.gz XKNBZIIKLYUAPX-UHFFFAOYSA-N 0 0 475.954 2.869 40 0 JFABRN CC(C)[C@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013503340 555460599 /nfs/dbraw/zinc/46/05/99/555460599.db2.gz MPMWTVZIFXSMJR-XMMPIXPASA-N 0 0 483.590 2.928 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC1CCCC1)c1cccc(OC)c1 ZINC000013505748 555468120 /nfs/dbraw/zinc/46/81/20/555468120.db2.gz BCDNOEWRIOKWDT-DEOSSOPVSA-N 0 0 486.569 2.985 40 0 JFABRN CCOC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)cc1 ZINC000013506369 555471044 /nfs/dbraw/zinc/47/10/44/555471044.db2.gz SWWMDKXZNSVMIB-UHFFFAOYSA-N 0 0 457.552 2.747 40 0 JFABRN COC(=O)c1cccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2cccs2)c1 ZINC000013506566 555472304 /nfs/dbraw/zinc/47/23/04/555472304.db2.gz OYIPWXTZEVRQNT-UHFFFAOYSA-N 0 0 457.552 2.747 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013507800 555476973 /nfs/dbraw/zinc/47/69/73/555476973.db2.gz LQNVUBCOUZAHED-HSZRJFAPSA-N 0 0 469.538 2.591 40 0 JFABRN COCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1C ZINC000013507868 555477184 /nfs/dbraw/zinc/47/71/84/555477184.db2.gz IXIOEKSNUWTUPB-HSZRJFAPSA-N 0 0 455.555 2.983 40 0 JFABRN COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 ZINC000013508470 555478861 /nfs/dbraw/zinc/47/88/61/555478861.db2.gz VYUJZHMQVKKTPW-QHCPKHFHSA-N 0 0 463.494 2.570 40 0 JFABRN COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC ZINC000013508466 555478891 /nfs/dbraw/zinc/47/88/91/555478891.db2.gz BLLXFDYIWNSVIL-QHCPKHFHSA-N 0 0 463.494 2.570 40 0 JFABRN COCCNC(=O)[C@@H](c1ccccc1C)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013508880 555479829 /nfs/dbraw/zinc/47/98/29/555479829.db2.gz QOBUSGHDLWKWBF-XMMPIXPASA-N 0 0 461.522 2.865 40 0 JFABRN CCOc1ccc([C@@H](C(=O)NCCOC)N(C(=O)Cn2nnc3ccccc32)c2cccnc2)cc1 ZINC000013509220 555480798 /nfs/dbraw/zinc/48/07/98/555480798.db2.gz BLLZXIASPFSNMA-VWLOTQADSA-N 0 0 488.548 2.762 40 0 JFABRN CCOc1ccccc1[C@H](C(=O)NCCOC)N(C(=O)Cn1nnc2ccccc21)c1cccnc1 ZINC000013509206 555480807 /nfs/dbraw/zinc/48/08/07/555480807.db2.gz IRRAKWPFCLYKAJ-RUZDIDTESA-N 0 0 488.548 2.762 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013509193 555480895 /nfs/dbraw/zinc/48/08/95/555480895.db2.gz BKXWJHPZZXSGIU-XMMPIXPASA-N 0 0 477.521 2.566 40 0 JFABRN COCCNC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)cc(C)c1 ZINC000013509373 555481301 /nfs/dbraw/zinc/48/13/01/555481301.db2.gz LSNKNKSWXNZUQY-VWLOTQADSA-N 0 0 472.549 2.980 40 0 JFABRN COCCNC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1C ZINC000013509361 555481336 /nfs/dbraw/zinc/48/13/36/555481336.db2.gz KEGVPWQBDUTXON-VWLOTQADSA-N 0 0 472.549 2.980 40 0 JFABRN CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013565640 555502560 /nfs/dbraw/zinc/50/25/60/555502560.db2.gz XJSKDMLOHXIZLF-RUZDIDTESA-N 0 0 497.592 2.996 40 0 JFABRN CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013565730 555502569 /nfs/dbraw/zinc/50/25/69/555502569.db2.gz GHTLIDOOHLDFLB-RUZDIDTESA-N 0 0 497.592 2.996 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 ZINC000019867806 555522010 /nfs/dbraw/zinc/52/20/10/555522010.db2.gz HMLSNGBSTOGZHM-UHFFFAOYSA-N 0 0 487.622 2.942 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868785 555523409 /nfs/dbraw/zinc/52/34/09/555523409.db2.gz ZTCUIAAJDVTJQH-KRWDZBQOSA-N 0 0 497.664 2.962 40 0 JFABRN CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3C1[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 ZINC000013590901 555525144 /nfs/dbraw/zinc/52/51/44/555525144.db2.gz ANYNUHFXXQLFIY-GCOHMJLCSA-N 0 0 498.535 2.964 40 0 JFABRN O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000009831469 555533736 /nfs/dbraw/zinc/53/37/36/555533736.db2.gz NYIYJALKMRDHGN-GOSISDBHSA-N 0 0 465.941 2.974 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCN1CCOCC1)C(=S)NC1CCCCC1)OCO3 ZINC000019940479 555558843 /nfs/dbraw/zinc/55/88/43/555558843.db2.gz WXOZMEORLLFXFX-UHFFFAOYSA-N 0 0 472.611 2.598 40 0 JFABRN Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940608 555559086 /nfs/dbraw/zinc/55/90/86/555559086.db2.gz YXEVKCONWVZBMD-ZEQKJWHPSA-N 0 0 499.619 2.909 40 0 JFABRN O=C(CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1F)NC1CCCC1 ZINC000019941195 555560221 /nfs/dbraw/zinc/56/02/21/555560221.db2.gz JXBBPAFZHMSXKV-XIFFEERXSA-N 0 0 477.533 2.744 40 0 JFABRN O=CN1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000013669968 555560293 /nfs/dbraw/zinc/56/02/93/555560293.db2.gz QGDJZQBXOVLNRA-UHFFFAOYSA-N 0 0 489.903 2.855 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)C1CCCC1 ZINC000019941201 555560322 /nfs/dbraw/zinc/56/03/22/555560322.db2.gz SNYPRKHCNLAHBP-HEJPQYQCSA-N 0 0 465.591 2.731 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C)CC3)cc2c1 ZINC000019941440 555560613 /nfs/dbraw/zinc/56/06/13/555560613.db2.gz XWOJXLXZACEDAD-QHCPKHFHSA-N 0 0 461.545 2.601 40 0 JFABRN Cc1cccc(CNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 ZINC000013671771 555563137 /nfs/dbraw/zinc/56/31/37/555563137.db2.gz XFDJYRNJGKPBKX-UHFFFAOYSA-N 0 0 458.321 2.682 40 0 JFABRN C[C@H](C(=O)NCCSCc1ccccc1F)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000013672573 555564254 /nfs/dbraw/zinc/56/42/54/555564254.db2.gz OSTNKLQMFIGJRS-OAHLLOKOSA-N 0 0 468.572 2.801 40 0 JFABRN NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013678505 555569597 /nfs/dbraw/zinc/56/95/97/555569597.db2.gz KVCOKBAPYOKCLD-NRFANRHFSA-N 0 0 451.504 2.522 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1 ZINC000013680668 555573318 /nfs/dbraw/zinc/57/33/18/555573318.db2.gz MJPUJXCFAKFBPL-UHFFFAOYSA-N 0 0 453.586 2.755 40 0 JFABRN COc1ccc(NC(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973648 555574343 /nfs/dbraw/zinc/57/43/43/555574343.db2.gz XTADELWNYIYATN-GJZGRUSLSA-N 0 0 474.583 2.892 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000019972831 555574627 /nfs/dbraw/zinc/57/46/27/555574627.db2.gz VNYTYAVXGNXXRU-QHCPKHFHSA-N 0 0 477.544 2.520 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000019973008 555575028 /nfs/dbraw/zinc/57/50/28/555575028.db2.gz LVGYQQPNDYIVJL-QHCPKHFHSA-N 0 0 477.544 2.520 40 0 JFABRN CCCN(CCC)C(=O)CSC(Nc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000009974342 555578729 /nfs/dbraw/zinc/57/87/29/555578729.db2.gz CLCFISYPHMIXEO-UHFFFAOYSA-N 0 0 450.536 2.881 40 0 JFABRN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000020005198 555579286 /nfs/dbraw/zinc/57/92/86/555579286.db2.gz GYIAOZQYUTWJHF-QHCPKHFHSA-N 0 0 498.601 2.961 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc1C ZINC000009974578 555579673 /nfs/dbraw/zinc/57/96/73/555579673.db2.gz LVAHJQAQTDRLFH-FQEVSTJZSA-N 0 0 457.596 2.753 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)cc1C ZINC000009974587 555579704 /nfs/dbraw/zinc/57/97/04/555579704.db2.gz ZRZZQWKFASTDKA-HXUWFJFHSA-N 0 0 487.622 2.762 40 0 JFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NCCOC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013686328 555579718 /nfs/dbraw/zinc/57/97/18/555579718.db2.gz OPNAGICTAZDFFF-IBGZPJMESA-N 0 0 467.975 2.900 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl ZINC000020006388 555581128 /nfs/dbraw/zinc/58/11/28/555581128.db2.gz CIOGGBOWEHNCSE-HXUWFJFHSA-N 0 0 487.965 2.976 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cccc(Br)c2)cc1OC ZINC000020013075 555589180 /nfs/dbraw/zinc/58/91/80/555589180.db2.gz RYUXRTLBHBPPOI-ZDUSSCGKSA-N 0 0 471.373 2.964 40 0 JFABRN COc1ccc(CCNC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC ZINC000010010082 555591952 /nfs/dbraw/zinc/59/19/52/555591952.db2.gz HBSRTCXDOWYSEB-UHFFFAOYSA-N 0 0 464.609 2.939 40 0 JFABRN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1OC ZINC000020016967 555592770 /nfs/dbraw/zinc/59/27/70/555592770.db2.gz DSYCVFQYEGBPDF-SFHVURJKSA-N 0 0 462.568 2.738 40 0 JFABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000020020601 555597625 /nfs/dbraw/zinc/59/76/25/555597625.db2.gz RSGFNVJMBLXCTL-HNNXBMFYSA-N 0 0 483.384 2.726 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020022221 555599639 /nfs/dbraw/zinc/59/96/39/555599639.db2.gz XYGLYNUFPAWQEV-MRXNPFEDSA-N 0 0 452.960 2.926 40 0 JFABRN COc1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000020025001 555602927 /nfs/dbraw/zinc/60/29/27/555602927.db2.gz JAEGLCAJMJFYNA-CQSZACIVSA-N 0 0 483.384 2.970 40 0 JFABRN COc1ccccc1NC(=O)CSc1nnc(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)n1C ZINC000010041352 555606019 /nfs/dbraw/zinc/60/60/19/555606019.db2.gz RQPMXZDVFLFNEK-ZRDIBKRKSA-N 0 0 497.577 2.901 40 0 JFABRN Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Br)cc2)c(=O)n3C)n1-c1ccccc1N ZINC000010103768 555618289 /nfs/dbraw/zinc/61/82/89/555618289.db2.gz GPNBTQZUMOLBJB-UHFFFAOYSA-N 0 0 479.338 2.840 40 0 JFABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020048522 555618265 /nfs/dbraw/zinc/61/82/65/555618265.db2.gz VPGWBLDQTCVBTF-UHFFFAOYSA-N 0 0 459.568 2.631 40 0 JFABRN CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000010111056 555621850 /nfs/dbraw/zinc/62/18/50/555621850.db2.gz RYOSUUZOYZBXDQ-QGZVFWFLSA-N 0 0 462.568 2.760 40 0 JFABRN O=S(=O)(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000010119314 555630106 /nfs/dbraw/zinc/63/01/06/555630106.db2.gz LEAZMKVWIVOYSP-UHFFFAOYSA-N 0 0 456.973 2.502 40 0 JFABRN CCOC(=O)Nc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000010119375 555630420 /nfs/dbraw/zinc/63/04/20/555630420.db2.gz GOTZIIVBQFQKEL-UHFFFAOYSA-N 0 0 479.580 2.791 40 0 JFABRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000020098158 555632883 /nfs/dbraw/zinc/63/28/83/555632883.db2.gz DQMISPDRRLOTEF-HXUWFJFHSA-N 0 0 477.652 2.756 40 0 JFABRN CC(C)C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000010216641 555649571 /nfs/dbraw/zinc/64/95/71/555649571.db2.gz PMKLVQXYRMQLLJ-ACRUOGEOSA-N 0 0 495.576 2.958 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(OC)c(OC)c2)C1C(=O)c1ccc(Cl)cc1 ZINC000010231952 555655586 /nfs/dbraw/zinc/65/55/86/555655586.db2.gz MTPLRDJWWDCMBS-SFHVURJKSA-N 0 0 455.858 2.669 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(Br)cc2)C1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000010232177 555656387 /nfs/dbraw/zinc/65/63/87/555656387.db2.gz YZJFAAJHTBDQIP-INIZCTEOSA-N 0 0 485.254 2.669 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2cccc(Br)c2)C1C(=O)c1cccc(OC)c1 ZINC000010232328 555656903 /nfs/dbraw/zinc/65/69/03/555656903.db2.gz NMSAGXBZBPKZDK-KRWDZBQOSA-N 0 0 470.283 2.769 40 0 JFABRN CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000020150731 555667035 /nfs/dbraw/zinc/66/70/35/555667035.db2.gz SXLYGBGVPSJFHR-YGWSKSRPSA-N 0 0 480.517 2.716 40 0 JFABRN CCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000020150830 555667416 /nfs/dbraw/zinc/66/74/16/555667416.db2.gz QDNNJANLDZUYRT-OYSWMMLKSA-N 0 0 496.516 2.595 40 0 JFABRN COC(=O)[C@@]1(CCSC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000020150768 555667461 /nfs/dbraw/zinc/66/74/61/555667461.db2.gz CXLBCXITWVXHHO-KGYLXKDPSA-N 0 0 488.587 2.634 40 0 JFABRN COc1cccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000010299970 555676604 /nfs/dbraw/zinc/67/66/04/555676604.db2.gz LVLQNGSXDAJQEG-UHFFFAOYSA-N 0 0 455.536 2.919 40 0 JFABRN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1OC ZINC000010302844 555678364 /nfs/dbraw/zinc/67/83/64/555678364.db2.gz GPQYOCPUHGBBDE-UHFFFAOYSA-N 0 0 480.558 2.611 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000010323826 555683198 /nfs/dbraw/zinc/68/31/98/555683198.db2.gz RFPBUKUSTVJIGE-UHFFFAOYSA-N 0 0 461.559 2.584 40 0 JFABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1 ZINC000010331590 555688072 /nfs/dbraw/zinc/68/80/72/555688072.db2.gz GXHHKBNRCXAPRV-UHFFFAOYSA-N 0 0 494.639 2.561 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000010333221 555688825 /nfs/dbraw/zinc/68/88/25/555688825.db2.gz YQIOOVZVJKISEQ-OAHLLOKOSA-N 0 0 462.524 2.670 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010335766 555690986 /nfs/dbraw/zinc/69/09/86/555690986.db2.gz SMNYWLWDUIKZLQ-SFHVURJKSA-N 0 0 461.584 2.863 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1Cl ZINC000010434506 555709369 /nfs/dbraw/zinc/70/93/69/555709369.db2.gz PWDGDJRAURLJPN-CQSZACIVSA-N 0 0 470.975 2.879 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(Cl)cc2)cc1OC ZINC000014154650 555712114 /nfs/dbraw/zinc/71/21/14/555712114.db2.gz CLIROLMYJYDIBQ-KRWDZBQOSA-N 0 0 468.959 2.848 40 0 JFABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)Cc1ccc(Br)cc1 ZINC000010543721 555725767 /nfs/dbraw/zinc/72/57/67/555725767.db2.gz XCHWGASGQPLPEC-UHFFFAOYSA-N 0 0 459.387 2.592 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000020235837 555728847 /nfs/dbraw/zinc/72/88/47/555728847.db2.gz MMMMEYMXNPZPBZ-UHFFFAOYSA-N 0 0 455.536 2.919 40 0 JFABRN C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000010793062 555740380 /nfs/dbraw/zinc/74/03/80/555740380.db2.gz IQEGSSYBEQOCCA-DAYGRLMNSA-N 0 0 472.991 2.601 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)ccc1Cl ZINC000020244881 555740884 /nfs/dbraw/zinc/74/08/84/555740884.db2.gz LPXQUGJGFGGCFY-UHFFFAOYSA-N 0 0 453.948 2.995 40 0 JFABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(I)cc2)cc1 ZINC000020245560 555741273 /nfs/dbraw/zinc/74/12/73/555741273.db2.gz FASGLAKBXXAFMW-UHFFFAOYSA-N 0 0 459.309 2.786 40 0 JFABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000010966726 555749829 /nfs/dbraw/zinc/74/98/29/555749829.db2.gz PYNIFPDEQOZGAL-HNNXBMFYSA-N 0 0 468.572 2.507 40 0 JFABRN CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)COc4ccccc4)cc3)nn12 ZINC000014269336 555758868 /nfs/dbraw/zinc/75/88/68/555758868.db2.gz OZBFWABKWHCXQN-UHFFFAOYSA-N 0 0 452.565 2.985 40 0 JFABRN O=C(Nc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1)c1ccco1 ZINC000011177692 555765112 /nfs/dbraw/zinc/76/51/12/555765112.db2.gz IWLGPBFXPGGBER-UHFFFAOYSA-N 0 0 473.482 2.944 40 0 JFABRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000014271703 555767228 /nfs/dbraw/zinc/76/72/28/555767228.db2.gz VTKDCTQPAGGREB-UHFFFAOYSA-N 0 0 456.568 2.889 40 0 JFABRN COc1c(F)c(F)c(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)c(F)c1F ZINC000014273649 555774036 /nfs/dbraw/zinc/77/40/36/555774036.db2.gz FPZSOARHNIEPQC-UHFFFAOYSA-N 0 0 461.437 2.586 40 0 JFABRN COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000014291837 555793423 /nfs/dbraw/zinc/79/34/23/555793423.db2.gz PHBJUFJFBOPNSD-UHFFFAOYSA-N 0 0 457.596 2.828 40 0 JFABRN CCCNS(=O)(=O)c1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1OC ZINC000014291977 555793696 /nfs/dbraw/zinc/79/36/96/555793696.db2.gz XCMREGYXEZCMRO-JXMROGBWSA-N 0 0 457.596 2.855 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000014396513 555802246 /nfs/dbraw/zinc/80/22/46/555802246.db2.gz WKEJMWAIBVNSLT-UHFFFAOYSA-N 0 0 465.547 2.777 40 0 JFABRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000014398220 555803837 /nfs/dbraw/zinc/80/38/37/555803837.db2.gz UHICZEDHKLGQBQ-UHFFFAOYSA-N 0 0 461.540 2.692 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCSCc1ccc(C)cc1)c1ccc2c(c1)OCO2 ZINC000014398132 555803948 /nfs/dbraw/zinc/80/39/48/555803948.db2.gz ANXKPDBOYDROOI-UHFFFAOYSA-N 0 0 450.582 2.929 40 0 JFABRN Cc1ccc(C)c(N(CCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)c1 ZINC000014401151 555806472 /nfs/dbraw/zinc/80/64/72/555806472.db2.gz GGGRIIRLSQBLPF-UHFFFAOYSA-N 0 0 487.622 2.923 40 0 JFABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)cc3OC)cc2)CC1 ZINC000020572688 555824169 /nfs/dbraw/zinc/82/41/69/555824169.db2.gz LEDIJPUAVVAEFU-UHFFFAOYSA-N 0 0 456.568 2.889 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000014594998 555835604 /nfs/dbraw/zinc/83/56/04/555835604.db2.gz QFXSVEABWYBQTQ-UHFFFAOYSA-N 0 0 492.550 2.538 40 0 JFABRN O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 ZINC000014607228 555835980 /nfs/dbraw/zinc/83/59/80/555835980.db2.gz FIJIKXHHHQDVDM-FQEVSTJZSA-N 0 0 475.376 2.673 40 0 JFABRN COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(C(=O)OC)c1 ZINC000015012680 555854333 /nfs/dbraw/zinc/85/43/33/555854333.db2.gz VANQCICVMMUIND-UHFFFAOYSA-N 0 0 494.953 2.953 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(N4CCOCC4)n3)CC2)cc1 ZINC000022053254 555866575 /nfs/dbraw/zinc/86/65/75/555866575.db2.gz KDCDCVSCBGHQGC-LJQANCHMSA-N 0 0 497.621 2.543 40 0 JFABRN O=S(=O)(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1Cl ZINC000022227806 555886773 /nfs/dbraw/zinc/88/67/73/555886773.db2.gz PSRCXQXSZHDKIA-UHFFFAOYSA-N 0 0 479.407 2.535 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000022229003 555887826 /nfs/dbraw/zinc/88/78/26/555887826.db2.gz HOWJUHVAESUABW-UHFFFAOYSA-N 0 0 451.976 2.976 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000022228973 555887882 /nfs/dbraw/zinc/88/78/82/555887882.db2.gz LFBFCYLICQLMFK-UHFFFAOYSA-N 0 0 451.976 2.976 40 0 JFABRN COc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c(OC)c1 ZINC000022229300 555888318 /nfs/dbraw/zinc/88/83/18/555888318.db2.gz SKIWFFKANUAEFA-UHFFFAOYSA-N 0 0 489.594 2.612 40 0 JFABRN CCOC(=O)N1CCN(C(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)CC1 ZINC000022231822 555890850 /nfs/dbraw/zinc/89/08/50/555890850.db2.gz UWCACESPDDQQSP-UHFFFAOYSA-N 0 0 489.594 2.641 40 0 JFABRN COC(=O)[C@H](C)[C@@H]1c2cc(Br)cc(Br)c2OC(=O)[C@@H]1C(=O)OC ZINC000015276714 555892321 /nfs/dbraw/zinc/89/23/21/555892321.db2.gz WTTLFVLYQYOQPQ-PFZYVWIYSA-N 0 0 450.079 2.813 40 0 JFABRN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000022246261 555896127 /nfs/dbraw/zinc/89/61/27/555896127.db2.gz CIWSLLBPEMXLBN-RUZDIDTESA-N 0 0 463.603 2.921 40 0 JFABRN COc1ccccc1N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)CC1 ZINC000022246297 555896408 /nfs/dbraw/zinc/89/64/08/555896408.db2.gz OFKKPCLPODUMHU-QHCPKHFHSA-N 0 0 479.602 2.934 40 0 JFABRN COc1ccc(C)cc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000022250154 555899828 /nfs/dbraw/zinc/89/98/28/555899828.db2.gz ZOUIAAPTUILVHE-UHFFFAOYSA-N 0 0 454.932 2.695 40 0 JFABRN COc1cc(C(=O)NCc2ccccn2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253332 555901515 /nfs/dbraw/zinc/90/15/15/555901515.db2.gz LLOOQWJGVKJUBY-UHFFFAOYSA-N 0 0 455.536 2.995 40 0 JFABRN COc1cc(C(=O)NCCCn2ccnc2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253724 555902042 /nfs/dbraw/zinc/90/20/42/555902042.db2.gz OOVZUHWBNGIBIP-UHFFFAOYSA-N 0 0 472.567 2.687 40 0 JFABRN COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000015576526 555916366 /nfs/dbraw/zinc/91/63/66/555916366.db2.gz ZJQJXAKNTYIBQP-GOSISDBHSA-N 0 0 461.559 2.584 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000015609654 555918700 /nfs/dbraw/zinc/91/87/00/555918700.db2.gz ZIXTZECMHFISMD-UHFFFAOYSA-N 0 0 471.579 2.971 40 0 JFABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1S(=O)(=O)c1cccs1 ZINC000015676448 555937869 /nfs/dbraw/zinc/93/78/69/555937869.db2.gz OOMRCGXMTCZOFA-INIZCTEOSA-N 0 0 451.957 2.935 40 0 biogenic,in-vitro JFABRN CCOC(=O)c1c(NC(=O)CN2CCC(C(N)=O)CC2)sc2c1CCN(Cc1ccccc1)C2 ZINC000022742157 555949540 /nfs/dbraw/zinc/94/95/40/555949540.db2.gz FLBJISFUCBJLBO-UHFFFAOYSA-N 0 0 484.622 2.619 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000022839599 555956069 /nfs/dbraw/zinc/95/60/69/555956069.db2.gz MDGBCJPMAYCAMW-UHFFFAOYSA-N 0 0 474.457 2.752 40 0 JFABRN CCN1CCN([C@@H](c2nnnn2CCc2ccc(OC)c(OC)c2)c2cc(OC)ccc2OC)CC1 ZINC000022930014 555983093 /nfs/dbraw/zinc/98/30/93/555983093.db2.gz AAOQJOQUJARRCS-RUZDIDTESA-N 0 0 496.612 2.677 40 0 JFABRN COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000023120260 556013209 /nfs/dbraw/zinc/01/32/09/556013209.db2.gz LVRYUMHAAMTABD-UHFFFAOYSA-N 0 0 462.524 2.530 40 0 JFABRN CC(C)CNC(=O)c1ccc2c(c1)n1c(=O)n(Cc3ccc(F)cc3)nc1n(C(C)C)c2=O ZINC000023126120 556014832 /nfs/dbraw/zinc/01/48/32/556014832.db2.gz ZRXCUMKLEYZODS-UHFFFAOYSA-N 0 0 451.502 2.965 40 0 JFABRN CCCn1c2nn(CC(=O)Nc3ccc(C)cc3C)c(=O)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000023126204 556015166 /nfs/dbraw/zinc/01/51/66/556015166.db2.gz AVAQCJRGKASDIJ-UHFFFAOYSA-N 0 0 490.564 2.615 40 0 JFABRN COC(=O)c1ccc(Cl)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 ZINC000024040265 556117950 /nfs/dbraw/zinc/11/79/50/556117950.db2.gz NINCMAIEJIXSAB-UHFFFAOYSA-N 0 0 452.916 2.708 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000024211621 556126982 /nfs/dbraw/zinc/12/69/82/556126982.db2.gz FBPHYAXPRBAQDW-INIZCTEOSA-N 0 0 450.582 2.674 40 0 JFABRN CC(C)(C)C(=O)COC(=O)[C@@H](CCS(C)(=O)=O)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000024522446 556133282 /nfs/dbraw/zinc/13/32/82/556133282.db2.gz LOADEUFMAIHRKP-CQSZACIVSA-N 0 0 478.350 2.551 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000025164247 556201555 /nfs/dbraw/zinc/20/15/55/556201555.db2.gz PKCWLCODVIZMKB-UHFFFAOYSA-N 0 0 459.568 2.798 40 0 JFABRN CCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 ZINC000025203667 556205154 /nfs/dbraw/zinc/20/51/54/556205154.db2.gz KWFMOMMCCVYLOA-SFHVURJKSA-N 0 0 452.463 2.656 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013030035 556224808 /nfs/dbraw/zinc/22/48/08/556224808.db2.gz BZZOYGJSDOFILP-HSZRJFAPSA-N 0 0 453.518 2.846 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccc(OC)c(OC)c1 ZINC000013030533 556225907 /nfs/dbraw/zinc/22/59/07/556225907.db2.gz CKFJJWOBEJLNLF-RUZDIDTESA-N 0 0 497.596 2.827 40 0 JFABRN COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@H](OC(=O)CC(C)=O)[C@H]1OC ZINC000017148705 556226686 /nfs/dbraw/zinc/22/66/86/556226686.db2.gz QBZQSENKKXVNNZ-RORMOQAWSA-N 0 0 498.576 2.811 40 0 JFABRN CCc1ccc(N(CC(=O)N2CCN(CC)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000025767221 556233266 /nfs/dbraw/zinc/23/32/66/556233266.db2.gz ZNMQYXSNIXGJSU-UHFFFAOYSA-N 0 0 459.612 2.925 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000026110469 556242505 /nfs/dbraw/zinc/24/25/05/556242505.db2.gz PZLSPISIORILKG-OAHLLOKOSA-N 0 0 492.425 2.836 40 0 JFABRN O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000026111687 556243113 /nfs/dbraw/zinc/24/31/13/556243113.db2.gz OQXPNJYUYUGYNV-UHFFFAOYSA-N 0 0 499.633 2.772 40 0 JFABRN CCS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)Oc2ccccc21 ZINC000026112683 556243925 /nfs/dbraw/zinc/24/39/25/556243925.db2.gz SDFGLMDQFJAZAU-OAQYLSRUSA-N 0 0 463.987 2.914 40 0 JFABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)Oc2ccccc21 ZINC000026112729 556244244 /nfs/dbraw/zinc/24/42/44/556244244.db2.gz QZVTUARYVYZNKR-MRXNPFEDSA-N 0 0 464.565 2.969 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000026391705 556253135 /nfs/dbraw/zinc/25/31/35/556253135.db2.gz REQJEFXJHUKWRA-CQSZACIVSA-N 0 0 468.959 2.869 40 0 JFABRN O=C(NCCCCCCNC(=O)NC[C@H]1COc2ccccc2O1)NC[C@@H]1COc2ccccc2O1 ZINC000018010366 556276156 /nfs/dbraw/zinc/27/61/56/556276156.db2.gz WPNLZBOXMJJXLF-BGYRXZFFSA-N 0 0 498.580 2.825 40 0 JFABRN COc1ccccc1NC(=O)N1CCC(NC(=O)[C@H](Cc2ccc(F)cc2)NC(C)=O)CC1 ZINC000013084818 556282535 /nfs/dbraw/zinc/28/25/35/556282535.db2.gz WGCIJJZHNNGYGJ-NRFANRHFSA-N 0 0 456.518 2.694 40 0 JFABRN CCOc1ccc(NC(=O)N2CCC(NC(=O)[C@H](Cc3ccccc3)NC(C)=O)CC2)cc1 ZINC000013084882 556282562 /nfs/dbraw/zinc/28/25/62/556282562.db2.gz KILXXCKFFJYGJB-QHCPKHFHSA-N 0 0 452.555 2.945 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000013085167 556283236 /nfs/dbraw/zinc/28/32/36/556283236.db2.gz PMPVIRFCXQINEW-HSZRJFAPSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000013085238 556283505 /nfs/dbraw/zinc/28/35/05/556283505.db2.gz YMZUXWYTUVYTOR-OAQYLSRUSA-N 0 0 457.958 2.817 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(OC)c1 ZINC000013085358 556283799 /nfs/dbraw/zinc/28/37/99/556283799.db2.gz AYDPSVVZHHSWSD-QFIPXVFZSA-N 0 0 486.544 2.703 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(OC)c1 ZINC000013085340 556283856 /nfs/dbraw/zinc/28/38/56/556283856.db2.gz DNQXBALPGICNAX-QHCPKHFHSA-N 0 0 482.581 2.872 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1OC ZINC000013085420 556284081 /nfs/dbraw/zinc/28/40/81/556284081.db2.gz OTELBPSLTDEVQX-JOCHJYFZSA-N 0 0 482.581 2.872 40 0 JFABRN O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)N=c1sccn1Cc1ccccc1Cl ZINC000013098253 556296764 /nfs/dbraw/zinc/29/67/64/556296764.db2.gz FYOOSELHCKNVAZ-FLFQWRMESA-N 0 0 493.994 2.590 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(OC)ccc3OC)CC2)cc1 ZINC000018204249 556309610 /nfs/dbraw/zinc/30/96/10/556309610.db2.gz UJRXSLPGVHSPSL-INIZCTEOSA-N 0 0 462.568 2.991 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000018422016 556321217 /nfs/dbraw/zinc/32/12/17/556321217.db2.gz RJEQOGIJUKJZCH-QFIPXVFZSA-N 0 0 486.480 2.862 40 0 JFABRN CCOC(=O)[C@@H]1CCCN(C(=O)NCCCCCCNC(=O)N2CCC[C@H](C(=O)OCC)C2)C1 ZINC000019075037 556327537 /nfs/dbraw/zinc/32/75/37/556327537.db2.gz ZLYPFDNHZCTKAM-BGYRXZFFSA-N 0 0 482.622 2.516 40 0 JFABRN CCCCN1C=N[C@@H]2[C@H]1C(OCC(=O)Nc1sccc1C(N)=O)=NC(=O)N2Cc1ccccc1 ZINC000028616829 556337147 /nfs/dbraw/zinc/33/71/47/556337147.db2.gz YIXVHSGUTDSSFR-ICSRJNTNSA-N 0 0 482.566 2.675 40 0 JFABRN COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000019553523 556353695 /nfs/dbraw/zinc/35/36/95/556353695.db2.gz INKOCIZQIFVAQH-HSZRJFAPSA-N 0 0 458.522 2.870 40 0 JFABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)cc2c1 ZINC000019563416 556354172 /nfs/dbraw/zinc/35/41/72/556354172.db2.gz PSVMHCYVEMPIHV-XUZZJYLKSA-N 0 0 472.549 2.850 40 0 JFABRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C)CC3)cc2c1 ZINC000019568188 556354866 /nfs/dbraw/zinc/35/48/66/556354866.db2.gz QQFWYYRMZFLVHZ-QHCPKHFHSA-N 0 0 461.545 2.656 40 0 JFABRN COCCn1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019594015 556356094 /nfs/dbraw/zinc/35/60/94/556356094.db2.gz NPIGUYZNXNPKDW-VWLOTQADSA-N 0 0 487.564 2.504 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(N4CCCC4=O)cc3)C2)cc1 ZINC000030755983 556373147 /nfs/dbraw/zinc/37/31/47/556373147.db2.gz OKZGZICXUUXSJW-QGZVFWFLSA-N 0 0 457.552 2.861 40 0 JFABRN COc1ccc(CN(C)C(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1OC ZINC000030869413 556384562 /nfs/dbraw/zinc/38/45/62/556384562.db2.gz COWZBKKJBSESDB-UHFFFAOYSA-N 0 0 456.948 2.790 40 0 JFABRN C[C@H](C(=O)N1CCOCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)COc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000030883944 556387064 /nfs/dbraw/zinc/38/70/64/556387064.db2.gz QADCHQVAOIJEPH-QOQAKOHJSA-N 0 0 472.626 2.868 40 0 biogenic,in-vitro JFABRN COC(=O)c1cc(C(=O)OC)cc(-n2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)c1 ZINC000019818923 556387091 /nfs/dbraw/zinc/38/70/91/556387091.db2.gz BUENXPDCWNVPNX-UHFFFAOYSA-N 0 0 469.457 2.977 40 0 JFABRN COc1ccc(CNC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)CC[C@H](NS(C)(=O)=O)[C@@H](C)[C@@H]3[C@H]2O)cc1 ZINC000030884224 556387360 /nfs/dbraw/zinc/38/73/60/556387360.db2.gz DIUGRXZSJCSFTC-DZLLZJFYSA-N 0 0 466.644 2.689 40 0 biogenic,in-vitro JFABRN O=C(C[C@@H]1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019819493 556388138 /nfs/dbraw/zinc/38/81/38/556388138.db2.gz JGISAEUCTZXOLF-LJQANCHMSA-N 0 0 458.478 2.968 40 0 JFABRN NC(=O)C1CCN(C(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000031078302 556391998 /nfs/dbraw/zinc/39/19/98/556391998.db2.gz IUNJWXQBPAPSNS-UHFFFAOYSA-N 0 0 484.405 2.908 40 0 JFABRN COc1ccc2cc(CN(Cc3cccnc3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1 ZINC000019824591 556395729 /nfs/dbraw/zinc/39/57/29/556395729.db2.gz MHRZWJZWRULEDJ-UHFFFAOYSA-N 0 0 481.622 2.531 40 0 JFABRN Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000019826431 556397101 /nfs/dbraw/zinc/39/71/01/556397101.db2.gz OZUPEJOCVUQPRO-JYFHCDHNSA-N 0 0 499.619 2.909 40 0 JFABRN O=C(NCc1cccc(N2CCCC2=O)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000031778812 556403916 /nfs/dbraw/zinc/40/39/16/556403916.db2.gz BAXLPGCAXKVXLM-SFHVURJKSA-N 0 0 459.543 2.670 40 0 JFABRN CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Br)c3)cc2)CC1 ZINC000032125386 556429597 /nfs/dbraw/zinc/42/95/97/556429597.db2.gz XDWNYQVNDDIHAF-UHFFFAOYSA-N 0 0 497.440 2.658 40 0 JFABRN Cc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C[C@H](C5=Cc6sc(=O)[nH]c6S[C@H]54)[C@@H]3C2=O)c1 ZINC000032598023 556449760 /nfs/dbraw/zinc/44/97/60/556449760.db2.gz HLKYYESPTLHTQY-UPQOXJCWSA-N 0 0 467.572 2.882 40 0 JFABRN C[C@H]1CCCC[C@H]1n1c(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccnc1 ZINC000032910915 556535280 /nfs/dbraw/zinc/53/52/80/556535280.db2.gz OJVIPSHJPBMIRS-CGTJXYLNSA-N 0 0 463.629 2.829 40 0 JFABRN COc1cccc(NC(=O)N[C@H]2CO[C@@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)[C@@H]2O)c1 ZINC000514289637 560032217 /nfs/dbraw/zinc/03/22/17/560032217.db2.gz XQWJFRCFSYCMMJ-FDFHNCONSA-N 0 0 494.514 2.786 40 0 biogenic,in-vitro JFABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C(=O)N1Cc1ccccc1Cl ZINC000225392506 560043797 /nfs/dbraw/zinc/04/37/97/560043797.db2.gz QAXCWKWUSUYHOI-QUCCMNQESA-N 0 0 493.913 2.917 40 0 biogenic,in-vitro JFABRN CS(=O)(=O)c1ccc(OC[C@@]2(C[NH2+]Cc3cccc(C(F)(F)F)c3)C[C@@H](O)[C@@H](O)C2)cc1 ZINC000107283906 560044705 /nfs/dbraw/zinc/04/47/05/560044705.db2.gz AXYDAJXUFQJNSG-AERCQKQUSA-N 0 0 473.513 2.780 40 0 biogenic,in-vitro JFABRN COCC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000067896813 560050298 /nfs/dbraw/zinc/05/02/98/560050298.db2.gz DCPIKVCKSUIKRM-WIYYLYMNSA-N 0 0 452.429 2.751 40 0 biogenic,in-vitro JFABRN Cc1cc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccccc3F)cc2)n(C)n1 ZINC000067896543 560050309 /nfs/dbraw/zinc/05/03/09/560050309.db2.gz OZVQNFQXVWEHQU-FYYLOGMGSA-N 0 0 452.486 2.581 40 0 biogenic,in-vitro JFABRN COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4cccnc4)[C@@H]3CO)cc2)cc1OC ZINC000072321234 560076855 /nfs/dbraw/zinc/07/68/55/560076855.db2.gz GYSSBUUEYLBLCB-PXDATVDWSA-N 0 0 477.517 2.812 40 0 biogenic,in-vitro JFABRN COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)C[C@@H]3CCCO3)cc2c1 ZINC000008582563 562939727 /nfs/dbraw/zinc/93/97/27/562939727.db2.gz GJMNUJOXQRUNPQ-QFIPXVFZSA-N 0 0 460.538 2.753 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C[C@H]1CCCO1)C1CCCCC1)OCO3 ZINC000008582652 562939848 /nfs/dbraw/zinc/93/98/48/562939848.db2.gz NSGSQTZXSSENSC-LJQANCHMSA-N 0 0 466.542 2.757 40 0 JFABRN O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 ZINC000008671106 562949460 /nfs/dbraw/zinc/94/94/60/562949460.db2.gz GHDWZPOJOPWKJB-UHFFFAOYSA-N 0 0 481.983 2.618 40 0 JFABRN CC1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000008671639 562949591 /nfs/dbraw/zinc/94/95/91/562949591.db2.gz QLIAYYPNQCCFJM-KKSFZXQISA-N 0 0 452.515 2.656 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000008677013 562950566 /nfs/dbraw/zinc/95/05/66/562950566.db2.gz BNDGOHJSYWATAO-OAQYLSRUSA-N 0 0 475.567 2.653 40 0 JFABRN CCOc1ccc(S(=O)(=O)NC[C@@H](C)NS(=O)(=O)c2ccc(OCC)c(C)c2)cc1C ZINC000054363287 569590232 /nfs/dbraw/zinc/59/02/32/569590232.db2.gz IHBFWSOSQYFCPR-QGZVFWFLSA-N 0 0 470.613 2.746 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000059418393 569603272 /nfs/dbraw/zinc/60/32/72/569603272.db2.gz UHFZKKVMWALTGD-ZRELAVNMSA-N 0 0 480.542 2.521 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000059418518 569603395 /nfs/dbraw/zinc/60/33/95/569603395.db2.gz VRBVQPZUEYQQPS-MTGKDYNDSA-N 0 0 451.573 2.915 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000059600485 569607241 /nfs/dbraw/zinc/60/72/41/569607241.db2.gz PLXNSFKSEASEIL-PRWBYUBPSA-N 0 0 498.532 2.660 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[nH]c(=O)c32)cc1 ZINC000059816844 569607767 /nfs/dbraw/zinc/60/77/67/569607767.db2.gz RKQHXCRYWBNWQF-PBFPGSCMSA-N 0 0 452.515 2.560 40 0 JFABRN O=C(Cn1nc2n(c1=O)c1ccccc1c(=O)n2Cc1ccccc1)NCc1ccc(Cl)cc1 ZINC000064580746 569620501 /nfs/dbraw/zinc/62/05/01/569620501.db2.gz YNKFOXPNVCOCLT-UHFFFAOYSA-N 0 0 473.920 2.829 40 0 JFABRN Cc1cc(C)cc(NC(=O)Cn2nc3n(c2=O)c2ccccc2c(=O)n3CCCOC(C)C)c1 ZINC000064580727 569620598 /nfs/dbraw/zinc/62/05/98/569620598.db2.gz DUKCKJHGFHRFOL-UHFFFAOYSA-N 0 0 463.538 2.882 40 0 JFABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000033161471 569621736 /nfs/dbraw/zinc/62/17/36/569621736.db2.gz WXSQAFPFXVQXPK-OALUTQOASA-N 0 0 471.579 2.635 40 0 JFABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)ccc1O ZINC000033728829 569632239 /nfs/dbraw/zinc/63/22/39/569632239.db2.gz DAVTYPXBSDIHGU-CNSVBDKNSA-N 0 0 450.516 2.513 40 0 JFABRN CCOC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Cl ZINC000033859908 569636550 /nfs/dbraw/zinc/63/65/50/569636550.db2.gz UTXYCXRDSVUKKL-DHDCSXOGSA-N 0 0 462.842 2.754 40 0 JFABRN CCC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000033937379 569639127 /nfs/dbraw/zinc/63/91/27/569639127.db2.gz NSXKAYGOJVHDDI-FYYLOGMGSA-N 0 0 484.601 2.818 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4C)[C@H](C(=O)NC(C)(C)C)[C@]34C=C[C@@]2(C)O4)no1 ZINC000033939908 569639245 /nfs/dbraw/zinc/63/92/45/569639245.db2.gz GDDBZJOHHCIGIG-KAJYBCESSA-N 0 0 478.549 2.890 40 0 JFABRN CC(C)CN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(F)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NCc1ccccc1 ZINC000033939968 569639362 /nfs/dbraw/zinc/63/93/62/569639362.db2.gz TUSAMHOPZWSNTH-UETMDFGDSA-N 0 0 477.536 2.887 40 0 JFABRN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 ZINC000034695703 569647578 /nfs/dbraw/zinc/64/75/78/569647578.db2.gz BVRSMDQKYFDPMX-OAHLLOKOSA-N 0 0 462.524 2.530 40 0 JFABRN O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000034746042 569655580 /nfs/dbraw/zinc/65/55/80/569655580.db2.gz HIZOVYIVJLBOLP-UHFFFAOYSA-N 0 0 454.527 2.765 40 0 JFABRN CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000034896828 569669547 /nfs/dbraw/zinc/66/95/47/569669547.db2.gz UQZPBBYCGKDJGS-LJQANCHMSA-N 0 0 485.566 2.509 40 0 JFABRN CC1=N/C(=C\c2cc(I)cc(I)c2O)C(=O)O1 ZINC000034898181 569669636 /nfs/dbraw/zinc/66/96/36/569669636.db2.gz XXRHAYIKFXLADS-OQFOIZHKSA-N 0 0 454.989 2.918 40 0 JFABRN COC(=O)c1ccccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C ZINC000035074041 569674242 /nfs/dbraw/zinc/67/42/42/569674242.db2.gz VYWDRDUVBQUPPJ-AWEZNQCLSA-N 0 0 453.524 2.824 40 0 JFABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)c1 ZINC000035104946 569675000 /nfs/dbraw/zinc/67/50/00/569675000.db2.gz GJJZLTGHIAGNDI-UHFFFAOYSA-N 0 0 489.575 2.769 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3OCC#N)C2=O)o1 ZINC000035201234 569678118 /nfs/dbraw/zinc/67/81/18/569678118.db2.gz SYMTUJINNKRNOQ-ZSOIEALJSA-N 0 0 490.266 2.833 40 0 JFABRN COc1cccc(NC(=O)CSCc2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)c1 ZINC000035310819 569680156 /nfs/dbraw/zinc/68/01/56/569680156.db2.gz WDWWLUGQCWHMGX-UHFFFAOYSA-N 0 0 454.487 2.995 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@@H]3c4cc(OC)c(OC)cc4CCN3S(C)(=O)=O)cc2c1 ZINC000035314700 569680410 /nfs/dbraw/zinc/68/04/10/569680410.db2.gz JVWYUBIZNPCKQQ-QFIPXVFZSA-N 0 0 458.536 2.851 40 0 JFABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)n2C)cc1 ZINC000035375137 569684374 /nfs/dbraw/zinc/68/43/74/569684374.db2.gz TZQANKSEWFZXQT-UHFFFAOYSA-N 0 0 481.578 2.906 40 0 JFABRN CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cn1nc(C)c2ccccc2c1=O ZINC000072337913 569703430 /nfs/dbraw/zinc/70/34/30/569703430.db2.gz PAOQXTCRBQPZHB-QGZVFWFLSA-N 0 0 479.487 2.802 40 0 JFABRN COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)S1(=O)=O ZINC000036015037 569748997 /nfs/dbraw/zinc/74/89/97/569748997.db2.gz DGCPWCDNTJYODP-XMTFNYHQSA-N 0 0 472.346 2.877 40 0 JFABRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000100203992 569755258 /nfs/dbraw/zinc/75/52/58/569755258.db2.gz UKUSYJSWBBJTPI-MVOHMCPASA-N 0 0 479.920 2.948 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)c(OC)c2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000100421722 569759796 /nfs/dbraw/zinc/75/97/96/569759796.db2.gz NXIQXVHLXVZLII-UPUUWEMXSA-N 0 0 484.574 2.824 40 0 JFABRN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)ccc1OCC(=O)OC(C)C ZINC000036612707 569778005 /nfs/dbraw/zinc/77/80/05/569778005.db2.gz ZULKUIQCXBREST-HSZRJFAPSA-N 0 0 467.522 2.970 40 0 JFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000037021556 569781325 /nfs/dbraw/zinc/78/13/25/569781325.db2.gz JVBGSCRCELVUMV-NQIIRXRSSA-N 0 0 477.558 2.918 40 0 JFABRN O=C([C@@H]1COc2ccccc2O1)N1CCN([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000101312772 569791871 /nfs/dbraw/zinc/79/18/71/569791871.db2.gz FLFHCZZAFBFTLF-PXNSSMCTSA-N 0 0 490.343 2.610 40 0 JFABRN CCOC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000101452053 569797790 /nfs/dbraw/zinc/79/77/90/569797790.db2.gz WVCLOWQJSRKPPN-IMIIHFCZSA-N 0 0 495.963 2.633 40 0 JFABRN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)NCCc3ccccc3)CC2)cc1 ZINC000101465574 569798601 /nfs/dbraw/zinc/79/86/01/569798601.db2.gz VTJRCKATNCOIJV-SZPZYZBQSA-N 0 0 471.623 2.555 40 0 JFABRN COc1ccc(NC(=O)CNC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000101464616 569798612 /nfs/dbraw/zinc/79/86/12/569798612.db2.gz QVLIWLKADPIFQR-KDURUIRLSA-N 0 0 473.595 2.843 40 0 JFABRN COc1ccc(NC(=O)[C@H](C)NC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000101483163 569799272 /nfs/dbraw/zinc/79/92/72/569799272.db2.gz XIRPMCFAZOEDPY-GBESFXJTSA-N 0 0 473.595 2.923 40 0 JFABRN C[C@@H](NC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1ccccc1 ZINC000101489004 569799517 /nfs/dbraw/zinc/79/95/17/569799517.db2.gz PZIRYQMVBUHIEU-SBHAEUEKSA-N 0 0 457.596 2.765 40 0 JFABRN COC(=O)C1CCN(C(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000101499967 569800829 /nfs/dbraw/zinc/80/08/29/569800829.db2.gz KTJVIJSEOYFOPZ-IYBDPMFKSA-N 0 0 456.992 2.836 40 0 JFABRN COc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000038303555 569801221 /nfs/dbraw/zinc/80/12/21/569801221.db2.gz FYUYLXHSHSDGMS-OAHLLOKOSA-N 0 0 461.400 2.907 40 0 JFABRN Cc1nccn1-c1ccccc1CNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000038752447 569806399 /nfs/dbraw/zinc/80/63/99/569806399.db2.gz LOSGVRSBWKOYHQ-UHFFFAOYSA-N 0 0 470.551 2.772 40 0 JFABRN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(=O)N2CCCC[C@H]2C)c2ccccc12 ZINC000039556384 569810359 /nfs/dbraw/zinc/81/03/59/569810359.db2.gz COHCALBHFFVKAY-SDLDRHLBSA-N 0 0 468.579 2.615 40 0 JFABRN CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)N(CC(=O)OC)C2=S)cc1 ZINC000039556829 569810785 /nfs/dbraw/zinc/81/07/85/569810785.db2.gz VTUKKCCPLLFRTB-MTJSOVHGSA-N 0 0 492.557 2.673 40 0 JFABRN CCOC(=O)[C@H]1CCCN(c2nc3ncc4c(c3c(=O)[nH]2)C[C@@H](c2ccccc2O)CC4=O)C1 ZINC000040372949 569824236 /nfs/dbraw/zinc/82/42/36/569824236.db2.gz MZLFONIAUDBZBN-LSDHHAIUSA-N 0 0 462.506 2.716 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4CC)[nH]c(=O)c32)cc1 ZINC000040390463 569824904 /nfs/dbraw/zinc/82/49/04/569824904.db2.gz VGKIJSAOHFWQPI-IRXDYDNUSA-N 0 0 467.526 2.780 40 0 JFABRN COCc1nn2c(nnc3c2ccn(NC(=O)c2ccncc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396187 569825672 /nfs/dbraw/zinc/82/56/72/569825672.db2.gz LKINTVRQRWVUFE-UHFFFAOYSA-N 0 0 461.869 2.685 40 0 JFABRN COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N2 ZINC000040400035 569827131 /nfs/dbraw/zinc/82/71/31/569827131.db2.gz HSRDHZPSNHWQRH-HNNXBMFYSA-N 0 0 462.466 2.545 40 0 JFABRN O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N=c1sccn1Cc1ccccc1Cl ZINC000103126029 569833038 /nfs/dbraw/zinc/83/30/38/569833038.db2.gz GLTOSTQYDYFLMI-FTTZNLHGSA-N 0 0 489.981 2.787 40 0 JFABRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1OC ZINC000103513410 569835501 /nfs/dbraw/zinc/83/55/01/569835501.db2.gz KQHPQMMPALRFHS-RZXSNQJFSA-N 0 0 465.893 2.954 40 0 JFABRN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](O)c1ccc(Cl)cc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000103517053 569835561 /nfs/dbraw/zinc/83/55/61/569835561.db2.gz BFNZVVRVIRCIOX-YYVLHXKZSA-N 0 0 453.926 2.593 40 0 JFABRN C[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857185 569839357 /nfs/dbraw/zinc/83/93/57/569839357.db2.gz BICHILFMOTZUJG-YCRPNKLZSA-N 0 0 494.635 2.792 40 0 JFABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000106763460 569855640 /nfs/dbraw/zinc/85/56/40/569855640.db2.gz CNYOWMQMRPXMNR-ZHZULCJRSA-N 0 0 487.578 2.745 40 0 JFABRN COc1ccc(NC(=O)c2ccc3nnc([C@@H]4CN(Cc5ccccn5)CCN4C)n3c2)cc1 ZINC000107189389 569856348 /nfs/dbraw/zinc/85/63/48/569856348.db2.gz IEMYDVXKDAHOOR-QFIPXVFZSA-N 0 0 457.538 2.874 40 0 JFABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)cc1 ZINC000107809899 569857487 /nfs/dbraw/zinc/85/74/87/569857487.db2.gz UOMCBNDSEWHIIP-LJQANCHMSA-N 0 0 469.567 2.635 40 0 JFABRN CCc1cccc(C)c1NC(=O)CSc1nnc([C@@H](CO)NC(=O)c2ccc(OC)cc2)n1C ZINC000108160791 569858859 /nfs/dbraw/zinc/85/88/59/569858859.db2.gz IYSSHKACNIAZFE-LJQANCHMSA-N 0 0 483.594 2.889 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3O[C@@H](C)C(=O)OC)C2=O)o1 ZINC000108289744 569859477 /nfs/dbraw/zinc/85/94/77/569859477.db2.gz YBISVQXTLZKXDZ-GPILYODUSA-N 0 0 462.842 2.753 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(N)=O)c2ccccc2OC)cc1 ZINC000113937769 569862441 /nfs/dbraw/zinc/86/24/41/569862441.db2.gz SRXSRMPDJZJBKA-UHFFFAOYSA-N 0 0 469.519 2.637 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1cccc(Cl)c1 ZINC000113956582 569862582 /nfs/dbraw/zinc/86/25/82/569862582.db2.gz UJPSIDLYPMASBK-UHFFFAOYSA-N 0 0 479.986 2.997 40 0 JFABRN Cc1c(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000113957279 569862618 /nfs/dbraw/zinc/86/26/18/569862618.db2.gz JAZSZXYGSCZQQQ-AWEZNQCLSA-N 0 0 464.494 2.556 40 0 JFABRN CO[C@@H]1O[C@@]23CC[C@]4(O)C[C@H](OC(C)=O)CC[C@@]14[C@H]2CC[C@@]1(C)[C@H]3CC[C@@H]1C(=O)COC(C)=O ZINC000119197839 569864289 /nfs/dbraw/zinc/86/42/89/569864289.db2.gz KEOOAUOUZQFIKC-CXOWZSJCSA-N 0 0 478.582 2.930 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 ZINC000138569786 569865945 /nfs/dbraw/zinc/86/59/45/569865945.db2.gz WNCSLLGFHIZPPW-HNNXBMFYSA-N 0 0 463.412 2.689 40 0 JFABRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(I)c1O ZINC000205708313 569874227 /nfs/dbraw/zinc/87/42/27/569874227.db2.gz UEGDUWNQLGPRJO-WUXMJOGZSA-N 0 0 477.276 2.993 40 0 JFABRN Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2)c1 ZINC000214645188 569876869 /nfs/dbraw/zinc/87/68/69/569876869.db2.gz ODHBEQOWBSDZBG-KGENOOAVSA-N 0 0 495.557 2.908 40 0 JFABRN CCOC(=O)c1cc(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)ccc1Cl ZINC000216299244 569878225 /nfs/dbraw/zinc/87/82/25/569878225.db2.gz QLVSPQUBPWSQLD-UHFFFAOYSA-N 0 0 470.931 2.939 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1F ZINC000216401444 569878666 /nfs/dbraw/zinc/87/86/66/569878666.db2.gz RFMDAZYNKSJWAG-UHFFFAOYSA-N 0 0 462.547 2.703 40 0 JFABRN COC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000216490244 569879099 /nfs/dbraw/zinc/87/90/99/569879099.db2.gz OUROZFRJMJAUFF-UHFFFAOYSA-N 0 0 477.410 2.947 40 0 JFABRN CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218166792 569882926 /nfs/dbraw/zinc/88/29/26/569882926.db2.gz XNFRXDBJEXUFMX-UXHICEINSA-N 0 0 460.504 2.776 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCc2ccccc2C1)OCO3 ZINC000221965385 569883838 /nfs/dbraw/zinc/88/38/38/569883838.db2.gz HBZWGWGVYPXUBG-NTKDMRAZSA-N 0 0 486.532 2.570 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222404147 569884116 /nfs/dbraw/zinc/88/41/16/569884116.db2.gz PICIXLXFPHOTEH-OAQYLSRUSA-N 0 0 485.606 2.862 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000222413214 569884138 /nfs/dbraw/zinc/88/41/38/569884138.db2.gz AWPKXLGRNCTJRD-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000222416460 569884220 /nfs/dbraw/zinc/88/42/20/569884220.db2.gz NBZDLZZQURDBRE-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222437108 569884320 /nfs/dbraw/zinc/88/43/20/569884320.db2.gz CFUOBRYSUSNGNM-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222459108 569884397 /nfs/dbraw/zinc/88/43/97/569884397.db2.gz PMTUYPAWHGBGHP-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222461998 569884447 /nfs/dbraw/zinc/88/44/47/569884447.db2.gz BWAKOUFSRNZGAL-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222462082 569884452 /nfs/dbraw/zinc/88/44/52/569884452.db2.gz GZGREGXOXPGTNI-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000222459448 569884463 /nfs/dbraw/zinc/88/44/63/569884463.db2.gz MHRACTSZKSWBJI-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222505193 569884976 /nfs/dbraw/zinc/88/49/76/569884976.db2.gz OQLVDYHUUCLCBZ-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000222504300 569884991 /nfs/dbraw/zinc/88/49/91/569884991.db2.gz SXJNAXSKANZPLD-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222517854 569885084 /nfs/dbraw/zinc/88/50/84/569885084.db2.gz BYIVDLDEOIQVPO-ZDUSSCGKSA-N 0 0 473.929 2.548 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222521015 569885103 /nfs/dbraw/zinc/88/51/03/569885103.db2.gz YPBVUTMQRKCEFD-SFHVURJKSA-N 0 0 495.045 2.733 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222551832 569885641 /nfs/dbraw/zinc/88/56/41/569885641.db2.gz GFZPYOQLXYZVQT-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000222554357 569885769 /nfs/dbraw/zinc/88/57/69/569885769.db2.gz ZVNRTACTJOOYTE-FQEVSTJZSA-N 0 0 451.548 2.907 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3F)C2)c1 ZINC000222566960 569885899 /nfs/dbraw/zinc/88/58/99/569885899.db2.gz CFGVVFBFDMCWDI-QGZVFWFLSA-N 0 0 450.532 2.902 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3c(OC)cccc3OC)CC2)cc1 ZINC000222574882 569886089 /nfs/dbraw/zinc/88/60/89/569886089.db2.gz DBXDBQHVIKYOLX-UHFFFAOYSA-N 0 0 462.568 2.820 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000222577623 569886157 /nfs/dbraw/zinc/88/61/57/569886157.db2.gz AIMOSRBONDJTQQ-KRWDZBQOSA-N 0 0 466.003 2.904 40 0 JFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222579989 569886211 /nfs/dbraw/zinc/88/62/11/569886211.db2.gz MBSNJTSZDYLFBQ-VXNXHJTFSA-N 0 0 491.563 2.853 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222621273 569887138 /nfs/dbraw/zinc/88/71/38/569887138.db2.gz AWFZUWJBRSWHJU-OAQYLSRUSA-N 0 0 463.575 2.924 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222629561 569887290 /nfs/dbraw/zinc/88/72/90/569887290.db2.gz GRTCJWYDDLTJAI-HNNXBMFYSA-N 0 0 485.528 2.813 40 0 JFABRN CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000222632772 569887386 /nfs/dbraw/zinc/88/73/86/569887386.db2.gz NKKICNHIKRIZPZ-UHFFFAOYSA-N 0 0 459.568 2.556 40 0 JFABRN COC(=O)c1cn(C(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c2ccccc12 ZINC000222647262 569887715 /nfs/dbraw/zinc/88/77/15/569887715.db2.gz RGZKKMSRAZIRHI-UHFFFAOYSA-N 0 0 486.546 2.730 40 0 JFABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000222660438 569887917 /nfs/dbraw/zinc/88/79/17/569887917.db2.gz VFSCMINAODPYAZ-INIZCTEOSA-N 0 0 489.623 2.836 40 0 JFABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000222662618 569887965 /nfs/dbraw/zinc/88/79/65/569887965.db2.gz ADXVSHVKAKHESK-SFHVURJKSA-N 0 0 473.595 2.946 40 0 JFABRN C[C@@H](NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222667343 569888019 /nfs/dbraw/zinc/88/80/19/569888019.db2.gz DGUBJACETWVJKS-CYBMUJFWSA-N 0 0 469.357 2.864 40 0 JFABRN Cc1nc(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)n[nH]1 ZINC000222683689 569888500 /nfs/dbraw/zinc/88/85/00/569888500.db2.gz NXSJYSPFSNGTTG-UHFFFAOYSA-N 0 0 461.569 2.510 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)s1 ZINC000222687569 569888528 /nfs/dbraw/zinc/88/85/28/569888528.db2.gz AMTHUDRDDDETGY-VIFPVBQESA-N 0 0 498.530 2.615 40 0 JFABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc[nH]n3)cc2)c1 ZINC000222687268 569888557 /nfs/dbraw/zinc/88/85/57/569888557.db2.gz LJYFWUUTDSZNNU-UHFFFAOYSA-N 0 0 461.569 2.510 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000222746641 569890123 /nfs/dbraw/zinc/89/01/23/569890123.db2.gz VYKYCJFVXBZLCU-UHFFFAOYSA-N 0 0 489.623 2.790 40 0 JFABRN COc1ccccc1N(CCCC(=O)NCc1ccc(OC)c(OC)c1OC)S(C)(=O)=O ZINC000222773928 569890743 /nfs/dbraw/zinc/89/07/43/569890743.db2.gz BXYVIVLRGCCLBF-UHFFFAOYSA-N 0 0 466.556 2.584 40 0 JFABRN CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000222777478 569890865 /nfs/dbraw/zinc/89/08/65/569890865.db2.gz AERGFPKXCMRODY-KRWDZBQOSA-N 0 0 494.620 2.932 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)c2ccccc2O1 ZINC000222783285 569890926 /nfs/dbraw/zinc/89/09/26/569890926.db2.gz RUMNWKKQEDYVBE-JOCHJYFZSA-N 0 0 488.562 2.516 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)c(C)c1 ZINC000222791379 569891177 /nfs/dbraw/zinc/89/11/77/569891177.db2.gz JYTZPVNYQXPSNE-UHFFFAOYSA-N 0 0 473.595 2.866 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222803952 569891477 /nfs/dbraw/zinc/89/14/77/569891477.db2.gz WDZRLVUIPMKMSO-HNNXBMFYSA-N 0 0 491.997 2.817 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222820033 569891941 /nfs/dbraw/zinc/89/19/41/569891941.db2.gz GDFBDQXQJMKEQI-QFIPXVFZSA-N 0 0 493.601 2.932 40 0 JFABRN CCSc1nnc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 ZINC000222822996 569891945 /nfs/dbraw/zinc/89/19/45/569891945.db2.gz MIWGGVPMGSJXOE-UHFFFAOYSA-N 0 0 458.587 2.606 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1 ZINC000222828978 569892096 /nfs/dbraw/zinc/89/20/96/569892096.db2.gz HRUFGGYNMLJTFK-UHFFFAOYSA-N 0 0 465.959 2.606 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222843314 569892476 /nfs/dbraw/zinc/89/24/76/569892476.db2.gz IZHBZVKGHSIKOV-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000222844429 569892485 /nfs/dbraw/zinc/89/24/85/569892485.db2.gz FHCDWAIBYSIHEO-GOSISDBHSA-N 0 0 483.590 2.778 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222843466 569892506 /nfs/dbraw/zinc/89/25/06/569892506.db2.gz FRZHWWJMJGVKLD-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222843369 569892515 /nfs/dbraw/zinc/89/25/15/569892515.db2.gz UXDKUIHIAYOQMQ-HNNXBMFYSA-N 0 0 491.997 2.817 40 0 JFABRN COc1ccc([C@H](C)NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 ZINC000222845864 569892557 /nfs/dbraw/zinc/89/25/57/569892557.db2.gz ZZSXDKBNHJOSKF-KRWDZBQOSA-N 0 0 462.568 2.535 40 0 JFABRN COc1cc(CN(C)C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc(OC)c1OC ZINC000222847632 569892604 /nfs/dbraw/zinc/89/26/04/569892604.db2.gz OIRWCOADQZIEQQ-UHFFFAOYSA-N 0 0 464.584 2.990 40 0 JFABRN CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000222848730 569892605 /nfs/dbraw/zinc/89/26/05/569892605.db2.gz AFNRYVDGQBCPCS-UHFFFAOYSA-N 0 0 473.624 3.000 40 0 JFABRN C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000222853454 569892767 /nfs/dbraw/zinc/89/27/67/569892767.db2.gz ODAGXGDLFVYAPL-LJQANCHMSA-N 0 0 459.974 2.585 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222858601 569892865 /nfs/dbraw/zinc/89/28/65/569892865.db2.gz ZLVBCGAYLITEJF-GOSISDBHSA-N 0 0 463.575 2.531 40 0 JFABRN Cc1nc(SCCNC(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)n[nH]1 ZINC000222856677 569892899 /nfs/dbraw/zinc/89/28/99/569892899.db2.gz IKLZKLTWQGDFEV-INIZCTEOSA-N 0 0 473.624 2.994 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222864712 569893015 /nfs/dbraw/zinc/89/30/15/569893015.db2.gz IDFKMKGEGMZIHY-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000222864593 569893027 /nfs/dbraw/zinc/89/30/27/569893027.db2.gz FYOMKQADLGKIHS-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000222870179 569893194 /nfs/dbraw/zinc/89/31/94/569893194.db2.gz OYXCPJOLBNYTDT-UHFFFAOYSA-N 0 0 481.640 2.893 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222875181 569893295 /nfs/dbraw/zinc/89/32/95/569893295.db2.gz TXAQBCKTAHBMBY-QFIPXVFZSA-N 0 0 493.601 2.932 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222887028 569893612 /nfs/dbraw/zinc/89/36/12/569893612.db2.gz YAAJWUXJGWLMKA-KRWDZBQOSA-N 0 0 475.586 2.752 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000222892412 569893742 /nfs/dbraw/zinc/89/37/42/569893742.db2.gz FWDSVHLOHHYWDT-IBGZPJMESA-N 0 0 467.591 2.812 40 0 JFABRN CCOC(=O)C1(c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1 ZINC000222892614 569893745 /nfs/dbraw/zinc/89/37/45/569893745.db2.gz ZDIQDSNKBKXGIV-UHFFFAOYSA-N 0 0 486.590 2.874 40 0 JFABRN COc1ccc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000222905394 569894061 /nfs/dbraw/zinc/89/40/61/569894061.db2.gz ZTGKMOUMTUREJR-UHFFFAOYSA-N 0 0 471.579 2.897 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000222917765 569894295 /nfs/dbraw/zinc/89/42/95/569894295.db2.gz SGVLJXCNUSOKOH-NRFANRHFSA-N 0 0 477.602 2.966 40 0 JFABRN COc1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000222918331 569894364 /nfs/dbraw/zinc/89/43/64/569894364.db2.gz BQBHYBVYYZTOFO-UHFFFAOYSA-N 0 0 481.368 2.682 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222921264 569894434 /nfs/dbraw/zinc/89/44/34/569894434.db2.gz INIJIAJIUMZCGL-INIZCTEOSA-N 0 0 499.008 2.645 40 0 JFABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)ccc1OC ZINC000222922621 569894491 /nfs/dbraw/zinc/89/44/91/569894491.db2.gz DBXZWMTVBXLERT-UHFFFAOYSA-N 0 0 459.568 2.801 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000222923923 569894540 /nfs/dbraw/zinc/89/45/40/569894540.db2.gz AKRWCVTYQHBZSX-NRFANRHFSA-N 0 0 489.638 2.836 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000222927535 569894619 /nfs/dbraw/zinc/89/46/19/569894619.db2.gz NFYRBRUBIFXLDH-UHFFFAOYSA-N 0 0 495.623 2.729 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000222944122 569895137 /nfs/dbraw/zinc/89/51/37/569895137.db2.gz HHEPCSKRWKKHCQ-IBGZPJMESA-N 0 0 489.638 2.870 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222945915 569895187 /nfs/dbraw/zinc/89/51/87/569895187.db2.gz FJIYLYSAKZXDPZ-IBGZPJMESA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000222952440 569895276 /nfs/dbraw/zinc/89/52/76/569895276.db2.gz TUPKLOYSZXWIDQ-KRWDZBQOSA-N 0 0 463.575 2.708 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222952744 569895333 /nfs/dbraw/zinc/89/53/33/569895333.db2.gz LFIBSVWTBLQRGZ-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN COCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000222959167 569895465 /nfs/dbraw/zinc/89/54/65/569895465.db2.gz QSDRHKVLLCKSOF-GOSISDBHSA-N 0 0 458.555 2.825 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222960176 569895503 /nfs/dbraw/zinc/89/55/03/569895503.db2.gz DRRWCXMJSANRPP-FQEVSTJZSA-N 0 0 475.611 2.795 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222970033 569895752 /nfs/dbraw/zinc/89/57/52/569895752.db2.gz SNSZCYBZNOCRPD-LJQANCHMSA-N 0 0 492.617 2.609 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222981472 569896048 /nfs/dbraw/zinc/89/60/48/569896048.db2.gz DWBLVIZEYXJWLD-QFIPXVFZSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223029383 569897207 /nfs/dbraw/zinc/89/72/07/569897207.db2.gz VZWHQJIKCRLQJD-FQEVSTJZSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223031415 569897323 /nfs/dbraw/zinc/89/73/23/569897323.db2.gz LBFXJEPBVWWDLF-IBGZPJMESA-N 0 0 496.029 2.976 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223035013 569897428 /nfs/dbraw/zinc/89/74/28/569897428.db2.gz FUDMGBGTKLYSCI-SFHVURJKSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223042027 569897559 /nfs/dbraw/zinc/89/75/59/569897559.db2.gz YBTVEFHYGZKRDG-HXUWFJFHSA-N 0 0 467.538 2.593 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223052949 569897851 /nfs/dbraw/zinc/89/78/51/569897851.db2.gz CEBBPFXDIBFFOV-JOCHJYFZSA-N 0 0 459.612 2.949 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223054280 569897909 /nfs/dbraw/zinc/89/79/09/569897909.db2.gz PJRSEODIIUHCPL-HZPDHXFCSA-N 0 0 491.997 2.817 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223082452 569898901 /nfs/dbraw/zinc/89/89/01/569898901.db2.gz OYEWLXPREPGYAG-ILWGZMRPSA-N 0 0 453.583 2.970 40 0 JFABRN COc1ccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223084585 569898966 /nfs/dbraw/zinc/89/89/66/569898966.db2.gz CSRIIHLVXVKVLI-DZFGPLHGSA-N 0 0 469.582 2.668 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Cc1ccccc1 ZINC000223089756 569899146 /nfs/dbraw/zinc/89/91/46/569899146.db2.gz KJCAVJKPPJADIY-UHFFFAOYSA-N 0 0 479.624 2.652 40 0 JFABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223114562 569899822 /nfs/dbraw/zinc/89/98/22/569899822.db2.gz GJPTWPYHIXSAOG-JOCHJYFZSA-N 0 0 494.057 2.944 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223123906 569900204 /nfs/dbraw/zinc/90/02/04/569900204.db2.gz KUGLVVFCRGDQLA-LJQANCHMSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223126139 569900284 /nfs/dbraw/zinc/90/02/84/569900284.db2.gz GHDRYGPDJUSJKX-LFGUQSLTSA-N 0 0 457.546 2.799 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223129929 569900416 /nfs/dbraw/zinc/90/04/16/569900416.db2.gz FOJXIPPBUQFZQQ-LJQANCHMSA-N 0 0 469.966 2.799 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223141958 569900935 /nfs/dbraw/zinc/90/09/35/569900935.db2.gz FFKSXXBFKUNZMT-IBGZPJMESA-N 0 0 499.008 2.645 40 0 JFABRN CC[C@@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223156732 569901335 /nfs/dbraw/zinc/90/13/35/569901335.db2.gz KPVXDWIZZXEULC-ZDUSSCGKSA-N 0 0 472.614 2.603 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223173370 569902013 /nfs/dbraw/zinc/90/20/13/569902013.db2.gz DOKYAIVYXWRDFV-SFHVURJKSA-N 0 0 482.002 2.668 40 0 JFABRN COc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000223178413 569902218 /nfs/dbraw/zinc/90/22/18/569902218.db2.gz LMETWFXKGYTWHN-UHFFFAOYSA-N 0 0 460.552 2.612 40 0 JFABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C[C@@H]2CCCO2)N1CCCN1CCOCC1 ZINC000223177907 569902226 /nfs/dbraw/zinc/90/22/26/569902226.db2.gz WWNPZXYZNBTLPS-AJSBUHFISA-N 0 0 455.628 2.757 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223203309 569903332 /nfs/dbraw/zinc/90/33/32/569903332.db2.gz PWYNSIOGBVAPKD-FQEVSTJZSA-N 0 0 485.606 2.862 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223209818 569903546 /nfs/dbraw/zinc/90/35/46/569903546.db2.gz CLIGDHKCLVQRPF-HXUWFJFHSA-N 0 0 463.575 2.762 40 0 JFABRN O=C(Nc1nnc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1)c1ccccc1Cl ZINC000223210140 569903551 /nfs/dbraw/zinc/90/35/51/569903551.db2.gz SSLKUABKDLMJFP-UHFFFAOYSA-N 0 0 477.999 2.950 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223230697 569904280 /nfs/dbraw/zinc/90/42/80/569904280.db2.gz HVYTTZUHZMIQCG-NRFANRHFSA-N 0 0 463.575 2.925 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223233010 569904373 /nfs/dbraw/zinc/90/43/73/569904373.db2.gz WCBMFYLIOWZHOR-LJQANCHMSA-N 0 0 469.966 2.653 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223254630 569905020 /nfs/dbraw/zinc/90/50/20/569905020.db2.gz CCUNSKYZMOFTSP-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000223264804 569905373 /nfs/dbraw/zinc/90/53/73/569905373.db2.gz WHLGVEQHOXDFSQ-JOCHJYFZSA-N 0 0 473.595 2.679 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000223276721 569905924 /nfs/dbraw/zinc/90/59/24/569905924.db2.gz BYVSMDYKPXCWSG-LSDHHAIUSA-N 0 0 464.540 2.507 40 0 JFABRN Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)c4ccccc4)s3)n2)cc1 ZINC000223292118 569906478 /nfs/dbraw/zinc/90/64/78/569906478.db2.gz TTZAKJADULZYSO-UHFFFAOYSA-N 0 0 470.536 2.970 40 0 JFABRN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)s1 ZINC000223327809 569907693 /nfs/dbraw/zinc/90/76/93/569907693.db2.gz ZOFVHVWABDQHEJ-UHFFFAOYSA-N 0 0 461.544 2.749 40 0 JFABRN CN(CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1)S(C)(=O)=O ZINC000223330379 569907812 /nfs/dbraw/zinc/90/78/12/569907812.db2.gz WMBPATICMJSPHJ-RUZDIDTESA-N 0 0 479.602 2.964 40 0 JFABRN CC(C)OCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000223332046 569907838 /nfs/dbraw/zinc/90/78/38/569907838.db2.gz FNQNSCSOVTZNFP-DEOSSOPVSA-N 0 0 489.638 2.579 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)[C@H]3CCN(S(C)(=O)=O)c4ccccc4O3)s2)cc1 ZINC000223335021 569907890 /nfs/dbraw/zinc/90/78/90/569907890.db2.gz SRXDXFFVQWFWDD-QGZVFWFLSA-N 0 0 460.537 2.770 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(C)(=O)=O)c1 ZINC000223345418 569908049 /nfs/dbraw/zinc/90/80/49/569908049.db2.gz GWBHOXSTEUXCIN-UHFFFAOYSA-N 0 0 462.553 2.935 40 0 JFABRN Cc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)cc1 ZINC000223358896 569908592 /nfs/dbraw/zinc/90/85/92/569908592.db2.gz RJNDHYGEFSSQMP-ZDUSSCGKSA-N 0 0 450.467 2.794 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)s1 ZINC000223362119 569908764 /nfs/dbraw/zinc/90/87/64/569908764.db2.gz RSXKFJIXRJNPHI-SNVBAGLBSA-N 0 0 479.005 2.558 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223387791 569909538 /nfs/dbraw/zinc/90/95/38/569909538.db2.gz NNLFRBCAWPNDFQ-IBGZPJMESA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223391086 569909659 /nfs/dbraw/zinc/90/96/59/569909659.db2.gz QBJYCWLXRFUMOP-OAQYLSRUSA-N 0 0 475.611 2.631 40 0 JFABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223399654 569909888 /nfs/dbraw/zinc/90/98/88/569909888.db2.gz ULVRWRAEARVAIP-OAQYLSRUSA-N 0 0 466.003 2.828 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223410190 569910328 /nfs/dbraw/zinc/91/03/28/569910328.db2.gz OBLTZCIVEIQAJQ-HXUWFJFHSA-N 0 0 482.002 2.523 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000223455338 569911853 /nfs/dbraw/zinc/91/18/53/569911853.db2.gz IEZPBLMWFYZFDA-OAQYLSRUSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223473835 569912468 /nfs/dbraw/zinc/91/24/68/569912468.db2.gz SDIPGGVUEDZWTN-JOCHJYFZSA-N 0 0 459.612 2.665 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223473503 569912480 /nfs/dbraw/zinc/91/24/80/569912480.db2.gz BMXYXKXRYDYMAP-NRFANRHFSA-N 0 0 459.612 2.665 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223473350 569912491 /nfs/dbraw/zinc/91/24/91/569912491.db2.gz UIXPCMXAXBCPSV-NRFANRHFSA-N 0 0 459.612 2.665 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223486309 569913058 /nfs/dbraw/zinc/91/30/58/569913058.db2.gz QWENGVOYLJEOPI-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223518212 569914340 /nfs/dbraw/zinc/91/43/40/569914340.db2.gz HLQAHCNIKCZZKQ-INIZCTEOSA-N 0 0 451.976 2.659 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223520934 569914447 /nfs/dbraw/zinc/91/44/47/569914447.db2.gz MZFDZQRXSNSQFB-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223520970 569914461 /nfs/dbraw/zinc/91/44/61/569914461.db2.gz MZFDZQRXSNSQFB-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223521257 569914490 /nfs/dbraw/zinc/91/44/90/569914490.db2.gz LIMHQDXFBCUSOV-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223530660 569914781 /nfs/dbraw/zinc/91/47/81/569914781.db2.gz ZHJDIIKKCGEDNL-HXUWFJFHSA-N 0 0 489.638 2.837 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223562863 569916173 /nfs/dbraw/zinc/91/61/73/569916173.db2.gz LDJKWLUJHNHDKD-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223563012 569916196 /nfs/dbraw/zinc/91/61/96/569916196.db2.gz HJNQQGWFQWEMIT-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223563603 569916223 /nfs/dbraw/zinc/91/62/23/569916223.db2.gz XDASFUJWPAKYGE-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223565044 569916313 /nfs/dbraw/zinc/91/63/13/569916313.db2.gz UWLGNSNWYLIUGV-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2cccc3ccccc32)cc1OC ZINC000223576867 569916577 /nfs/dbraw/zinc/91/65/77/569916577.db2.gz VYHNADMJTUISGA-UHFFFAOYSA-N 0 0 458.536 2.673 40 0 JFABRN CNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)ccc1OC ZINC000223597882 569917320 /nfs/dbraw/zinc/91/73/20/569917320.db2.gz SGVOELHZZWZZQC-UHFFFAOYSA-N 0 0 450.904 2.579 40 0 JFABRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)n2)cc1 ZINC000223603052 569917561 /nfs/dbraw/zinc/91/75/61/569917561.db2.gz YMORBNHGFQNDPN-UHFFFAOYSA-N 0 0 460.512 2.923 40 0 JFABRN CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(N4CCCC4=O)c3)n2)cc1 ZINC000223606405 569917688 /nfs/dbraw/zinc/91/76/88/569917688.db2.gz JNXMZDPIYHOBBE-UHFFFAOYSA-N 0 0 472.523 2.749 40 0 JFABRN C[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223608624 569917760 /nfs/dbraw/zinc/91/77/60/569917760.db2.gz HDFUYKYWGMQVHX-QGZVFWFLSA-N 0 0 470.547 2.961 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223607581 569917765 /nfs/dbraw/zinc/91/77/65/569917765.db2.gz WYJSQKJFWGWAAW-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223652947 569919002 /nfs/dbraw/zinc/91/90/02/569919002.db2.gz MHEUNXYHEARNSG-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCCc1ccc(OCCNC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1 ZINC000223655975 569919188 /nfs/dbraw/zinc/91/91/88/569919188.db2.gz ILGSWKISCZBDHV-UHFFFAOYSA-N 0 0 450.557 2.618 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223660050 569919300 /nfs/dbraw/zinc/91/93/00/569919300.db2.gz DQGKUZTZFYPASM-IBGZPJMESA-N 0 0 459.612 2.877 40 0 JFABRN COc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)cc1OC ZINC000223679333 569919781 /nfs/dbraw/zinc/91/97/81/569919781.db2.gz QYZHYTRVZQTALV-UHFFFAOYSA-N 0 0 464.584 2.963 40 0 JFABRN COc1ccc(-c2noc(CNC(=O)CCCN(c3cccc(OC)c3)S(C)(=O)=O)n2)cc1 ZINC000223712513 569920807 /nfs/dbraw/zinc/92/08/07/569920807.db2.gz LECYQCRLPGMBBQ-UHFFFAOYSA-N 0 0 474.539 2.616 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223717843 569920992 /nfs/dbraw/zinc/92/09/92/569920992.db2.gz SINBMLWYCASJMM-INIZCTEOSA-N 0 0 499.008 2.645 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223718647 569921007 /nfs/dbraw/zinc/92/10/07/569921007.db2.gz UYRKHUQOALQKQL-MRXNPFEDSA-N 0 0 491.997 2.818 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223762683 569922505 /nfs/dbraw/zinc/92/25/05/569922505.db2.gz MTTHLEWFMCXJTG-INIZCTEOSA-N 0 0 491.997 2.818 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223786291 569923268 /nfs/dbraw/zinc/92/32/68/569923268.db2.gz RTLBKUCLGVVNNJ-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223795763 569923586 /nfs/dbraw/zinc/92/35/86/569923586.db2.gz YLRUTULUSDRVRR-AWEZNQCLSA-N 0 0 487.956 2.938 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223824646 569924362 /nfs/dbraw/zinc/92/43/62/569924362.db2.gz WSZUKUNQXACUJE-SFHVURJKSA-N 0 0 463.575 2.925 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223825178 569924402 /nfs/dbraw/zinc/92/44/02/569924402.db2.gz DUFFCSKZAVSHFN-SFHVURJKSA-N 0 0 495.045 2.896 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223828066 569924548 /nfs/dbraw/zinc/92/45/48/569924548.db2.gz XIZCTMMHPWISKX-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000223842331 569924856 /nfs/dbraw/zinc/92/48/56/569924856.db2.gz JCEGVOJDZJMXDR-HOTGVXAUSA-N 0 0 468.597 2.521 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1Cl ZINC000223850852 569925105 /nfs/dbraw/zinc/92/51/05/569925105.db2.gz LGNFGSPDNBLFCX-KBPBESRZSA-N 0 0 489.015 2.784 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223857041 569925325 /nfs/dbraw/zinc/92/53/25/569925325.db2.gz UURLYJQIDFQSIN-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000223862941 569925513 /nfs/dbraw/zinc/92/55/13/569925513.db2.gz MZRLTSLZVWZHLP-JXFKEZNVSA-N 0 0 452.598 2.821 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223870977 569925762 /nfs/dbraw/zinc/92/57/62/569925762.db2.gz DNFAZROSJGAEMS-OAHLLOKOSA-N 0 0 485.528 2.813 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000223872121 569925789 /nfs/dbraw/zinc/92/57/89/569925789.db2.gz DOZMXNWZBYPRRA-UHFFFAOYSA-N 0 0 472.567 2.980 40 0 JFABRN C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223876836 569925949 /nfs/dbraw/zinc/92/59/49/569925949.db2.gz QPGNNOSULNSFHX-QGZVFWFLSA-N 0 0 464.609 2.897 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223880155 569926057 /nfs/dbraw/zinc/92/60/57/569926057.db2.gz WPYPHVCSQISWPB-QGZVFWFLSA-N 0 0 489.569 2.694 40 0 JFABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000223881123 569926124 /nfs/dbraw/zinc/92/61/24/569926124.db2.gz OKZYPVVXGZNBIR-KSSFIOAISA-N 0 0 456.561 2.651 40 0 JFABRN C[C@H](NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223884010 569926186 /nfs/dbraw/zinc/92/61/86/569926186.db2.gz VORMSXOMFOULHS-HNNXBMFYSA-N 0 0 456.561 2.653 40 0 JFABRN C[C@@H](NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223883958 569926202 /nfs/dbraw/zinc/92/62/02/569926202.db2.gz VORMSXOMFOULHS-OAHLLOKOSA-N 0 0 456.561 2.653 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000223883484 569926207 /nfs/dbraw/zinc/92/62/07/569926207.db2.gz JVBPVQJDOCNKOW-KRWDZBQOSA-N 0 0 482.624 2.912 40 0 JFABRN CC[C@@H](NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223896470 569926546 /nfs/dbraw/zinc/92/65/46/569926546.db2.gz LROMEQZJMSLGCZ-OAQYLSRUSA-N 0 0 482.624 2.912 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1OC ZINC000223953738 569928321 /nfs/dbraw/zinc/92/83/21/569928321.db2.gz UKFVPXGMFVIEAT-KRWDZBQOSA-N 0 0 450.557 2.670 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223980041 569929283 /nfs/dbraw/zinc/92/92/83/569929283.db2.gz SLHNVNLKGWSKSB-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223979987 569929311 /nfs/dbraw/zinc/92/93/11/569929311.db2.gz SLHNVNLKGWSKSB-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(OC)c(C)c1 ZINC000223987814 569929602 /nfs/dbraw/zinc/92/96/02/569929602.db2.gz YCNGSFPRRRJYLB-FQEVSTJZSA-N 0 0 462.568 2.914 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224021726 569930855 /nfs/dbraw/zinc/93/08/55/569930855.db2.gz RJJUIGITKZGHIM-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN COc1ccc(-c2noc(CNC(=O)CCCN(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)cc1 ZINC000224023259 569930887 /nfs/dbraw/zinc/93/08/87/569930887.db2.gz AWGITKSICAWOOF-UHFFFAOYSA-N 0 0 480.493 2.886 40 0 JFABRN CC[C@H](NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000224046345 569931618 /nfs/dbraw/zinc/93/16/18/569931618.db2.gz NTAVTUJKTRUGER-IBGZPJMESA-N 0 0 482.624 2.912 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000224064046 569932117 /nfs/dbraw/zinc/93/21/17/569932117.db2.gz NKSGNUTZARCIED-KRWDZBQOSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)s2)cc1 ZINC000224099645 569933142 /nfs/dbraw/zinc/93/31/42/569933142.db2.gz XDXGKFXKDBUKSG-UHFFFAOYSA-N 0 0 474.564 2.628 40 0 JFABRN COc1ccc(OC)c(N([C@@H](C)C(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000224099600 569933172 /nfs/dbraw/zinc/93/31/72/569933172.db2.gz AZPYPOKBMUOUEH-KRWDZBQOSA-N 0 0 450.557 2.670 40 0 JFABRN CCc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000224105836 569933341 /nfs/dbraw/zinc/93/33/41/569933341.db2.gz GKMUHSNLVBEKJL-UHFFFAOYSA-N 0 0 452.960 2.732 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224106533 569933362 /nfs/dbraw/zinc/93/33/62/569933362.db2.gz UACAXIKGVSGQEU-LJQANCHMSA-N 0 0 497.617 2.740 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000224122067 569933891 /nfs/dbraw/zinc/93/38/91/569933891.db2.gz AHTOMPDMVCKYAJ-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN COc1ccccc1OC[C@@H](C)NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000224132480 569934145 /nfs/dbraw/zinc/93/41/45/569934145.db2.gz KXKCHSOURGWXMD-QGZVFWFLSA-N 0 0 450.557 2.834 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000224154124 569934670 /nfs/dbraw/zinc/93/46/70/569934670.db2.gz CYOKWRATCIVYEE-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224163602 569935003 /nfs/dbraw/zinc/93/50/03/569935003.db2.gz CUFYTNZEWMOTJM-JOCHJYFZSA-N 0 0 474.627 2.551 40 0 JFABRN Cc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)c1 ZINC000224162568 569935004 /nfs/dbraw/zinc/93/50/04/569935004.db2.gz JAFQUSWIULSDIH-CYBMUJFWSA-N 0 0 450.467 2.794 40 0 JFABRN COc1ccc2cc(S(=O)(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)ccc2c1 ZINC000224196304 569936006 /nfs/dbraw/zinc/93/60/06/569936006.db2.gz LSKKZCATGJENKY-UHFFFAOYSA-N 0 0 492.575 2.679 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224197773 569936107 /nfs/dbraw/zinc/93/61/07/569936107.db2.gz RLWVFVSMMIZLSR-OAQYLSRUSA-N 0 0 463.575 2.844 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224197703 569936130 /nfs/dbraw/zinc/93/61/30/569936130.db2.gz GRDMRIHVNLZMKY-FQEVSTJZSA-N 0 0 463.575 2.844 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224217241 569936888 /nfs/dbraw/zinc/93/68/88/569936888.db2.gz RBMATHFURTZHCC-NRFANRHFSA-N 0 0 485.606 2.863 40 0 JFABRN COc1cccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c1 ZINC000224230939 569937378 /nfs/dbraw/zinc/93/73/78/569937378.db2.gz SCJOMYJJIPOUBL-XMMPIXPASA-N 0 0 482.558 2.988 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224247577 569938027 /nfs/dbraw/zinc/93/80/27/569938027.db2.gz RGZADVCXOUGBLT-FQEVSTJZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224247521 569938041 /nfs/dbraw/zinc/93/80/41/569938041.db2.gz RGZADVCXOUGBLT-HXUWFJFHSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224259383 569938369 /nfs/dbraw/zinc/93/83/69/569938369.db2.gz LMCGMFYRHMGRKN-OAQYLSRUSA-N 0 0 492.617 2.690 40 0 JFABRN COc1cc(C)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C(C)C ZINC000224269014 569938652 /nfs/dbraw/zinc/93/86/52/569938652.db2.gz RHLAWUPURGNHAV-UHFFFAOYSA-N 0 0 470.613 2.735 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224299632 569939704 /nfs/dbraw/zinc/93/97/04/569939704.db2.gz SHRCBMAHHAVNTM-IBGZPJMESA-N 0 0 492.617 2.628 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224299578 569939735 /nfs/dbraw/zinc/93/97/35/569939735.db2.gz SHRCBMAHHAVNTM-LJQANCHMSA-N 0 0 492.617 2.628 40 0 JFABRN O=S(=O)(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1 ZINC000224300960 569939745 /nfs/dbraw/zinc/93/97/45/569939745.db2.gz QHZMFCHQLGOTCW-UHFFFAOYSA-N 0 0 489.413 2.591 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000224340128 569941161 /nfs/dbraw/zinc/94/11/61/569941161.db2.gz SVKXGLUBVFYJIM-UHFFFAOYSA-N 0 0 471.623 2.757 40 0 JFABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cn2ccnc2)cc1 ZINC000224346273 569941390 /nfs/dbraw/zinc/94/13/90/569941390.db2.gz BOOHCSZJEIUJAE-UHFFFAOYSA-N 0 0 454.552 2.525 40 0 JFABRN COc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 ZINC000224354074 569941670 /nfs/dbraw/zinc/94/16/70/569941670.db2.gz MUIFOQRJEOAQLV-UHFFFAOYSA-N 0 0 450.532 2.571 40 0 JFABRN COc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000224356290 569941782 /nfs/dbraw/zinc/94/17/82/569941782.db2.gz XOJPLFGUVIWPLF-UHFFFAOYSA-N 0 0 450.532 2.571 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(SC)cc3)n2)c1 ZINC000224384513 569942702 /nfs/dbraw/zinc/94/27/02/569942702.db2.gz OZUWEQKQZGPTPE-UHFFFAOYSA-N 0 0 476.580 2.746 40 0 JFABRN COc1ccccc1O[C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224403338 569943494 /nfs/dbraw/zinc/94/34/94/569943494.db2.gz VYHLHMKUTMQLHM-GOSISDBHSA-N 0 0 462.568 2.832 40 0 JFABRN Cc1cc(F)ccc1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224426210 569944228 /nfs/dbraw/zinc/94/42/28/569944228.db2.gz GOOJDXISKPYLKG-UHFFFAOYSA-N 0 0 456.561 2.666 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224431819 569944328 /nfs/dbraw/zinc/94/43/28/569944328.db2.gz GSBUAVNQFDZHBU-IBGZPJMESA-N 0 0 475.611 2.651 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224431992 569944380 /nfs/dbraw/zinc/94/43/80/569944380.db2.gz GULZVMHQFRMZTP-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN C[C@H](Oc1cccc2ccccc21)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224468747 569945422 /nfs/dbraw/zinc/94/54/22/569945422.db2.gz YKRNRHUFTULCCW-IBGZPJMESA-N 0 0 484.574 2.823 40 0 JFABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224475856 569945648 /nfs/dbraw/zinc/94/56/48/569945648.db2.gz FUCHJNGOFMYZFO-QHCPKHFHSA-N 0 0 476.595 2.677 40 0 JFABRN Cc1cc(O[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Cl ZINC000224491969 569946161 /nfs/dbraw/zinc/94/61/61/569946161.db2.gz XMFFHFXIERMCOR-KRWDZBQOSA-N 0 0 482.986 2.632 40 0 JFABRN Cc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000224493564 569946241 /nfs/dbraw/zinc/94/62/41/569946241.db2.gz AJYLGIOALNZIKD-NRFANRHFSA-N 0 0 473.639 2.993 40 0 JFABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000224496660 569946360 /nfs/dbraw/zinc/94/63/60/569946360.db2.gz FAJWKKAMRFVIRT-UHFFFAOYSA-N 0 0 458.580 2.715 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224502169 569946442 /nfs/dbraw/zinc/94/64/42/569946442.db2.gz XILFVIFHWFSRQD-OAQYLSRUSA-N 0 0 488.654 2.531 40 0 JFABRN COc1ccc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3ccccc3O2)cc1 ZINC000224515115 569946913 /nfs/dbraw/zinc/94/69/13/569946913.db2.gz NNMZVMVDBGVNNJ-DEOSSOPVSA-N 0 0 498.557 2.855 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOCc3ccccc3)Oc3ccccc32)cc1 ZINC000224514863 569946935 /nfs/dbraw/zinc/94/69/35/569946935.db2.gz IJNYNRKQSZBGPD-DEOSSOPVSA-N 0 0 482.558 2.985 40 0 JFABRN COc1cc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc(OC)c1OC ZINC000224517422 569946959 /nfs/dbraw/zinc/94/69/59/569946959.db2.gz RUUVCONVJUPLIK-UHFFFAOYSA-N 0 0 478.552 2.603 40 0 JFABRN CC(=O)Nc1nnc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000224540968 569947707 /nfs/dbraw/zinc/94/77/07/569947707.db2.gz SWYKDBJVLQKUJD-UHFFFAOYSA-N 0 0 457.581 2.592 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224545707 569947895 /nfs/dbraw/zinc/94/78/95/569947895.db2.gz ROYHJXBJMVHGLP-QFIPXVFZSA-N 0 0 475.611 2.568 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000224562655 569948572 /nfs/dbraw/zinc/94/85/72/569948572.db2.gz GDSXRJJKGDDTIT-UHFFFAOYSA-N 0 0 487.622 2.632 40 0 JFABRN CC[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224567912 569948807 /nfs/dbraw/zinc/94/88/07/569948807.db2.gz OTJSNDRTNXJVIO-HSZRJFAPSA-N 0 0 459.612 2.688 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224567766 569948817 /nfs/dbraw/zinc/94/88/17/569948817.db2.gz NPKMTGPAIOBDHZ-JOCHJYFZSA-N 0 0 489.638 2.967 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224575376 569949175 /nfs/dbraw/zinc/94/91/75/569949175.db2.gz OGPPQLWDJAJARA-OAQYLSRUSA-N 0 0 479.574 2.544 40 0 JFABRN CCc1ccc(N([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224578163 569949263 /nfs/dbraw/zinc/94/92/63/569949263.db2.gz CPCUNZLMHJLHQT-IBGZPJMESA-N 0 0 459.612 2.552 40 0 JFABRN Cc1cccc(N(CCCC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1C ZINC000224581962 569949492 /nfs/dbraw/zinc/94/94/92/569949492.db2.gz OJEOMZYVSMFYBQ-UHFFFAOYSA-N 0 0 473.639 2.998 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224605887 569950402 /nfs/dbraw/zinc/95/04/02/569950402.db2.gz BKSLRZKSYSHPDX-NRFANRHFSA-N 0 0 459.612 2.747 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224605836 569950410 /nfs/dbraw/zinc/95/04/10/569950410.db2.gz BKSLRZKSYSHPDX-OAQYLSRUSA-N 0 0 459.612 2.747 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224608785 569950547 /nfs/dbraw/zinc/95/05/47/569950547.db2.gz XMYRXZHHKNHDDU-NRFANRHFSA-N 0 0 463.575 2.578 40 0 JFABRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224613469 569950747 /nfs/dbraw/zinc/95/07/47/569950747.db2.gz JOULMBUDNNTLGG-OAQYLSRUSA-N 0 0 485.606 2.719 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224617762 569950976 /nfs/dbraw/zinc/95/09/76/569950976.db2.gz FQEBAKPPKGYNBQ-OAQYLSRUSA-N 0 0 481.565 2.717 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224623129 569951263 /nfs/dbraw/zinc/95/12/63/569951263.db2.gz KUPQIAATINIZTG-QFIPXVFZSA-N 0 0 459.612 2.602 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224630839 569951534 /nfs/dbraw/zinc/95/15/34/569951534.db2.gz XYLDDNARHPXZTJ-GOSISDBHSA-N 0 0 495.045 2.895 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224654993 569952331 /nfs/dbraw/zinc/95/23/31/569952331.db2.gz FMOAZGYBPAIDIZ-INIZCTEOSA-N 0 0 467.538 2.673 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000224654228 569952368 /nfs/dbraw/zinc/95/23/68/569952368.db2.gz KNPARJKJCLRXHO-KRWDZBQOSA-N 0 0 479.574 2.542 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224667970 569952928 /nfs/dbraw/zinc/95/29/28/569952928.db2.gz RCCYHGGDWGTLRB-KRWDZBQOSA-N 0 0 496.580 2.520 40 0 JFABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)CN(Cc1ccccc1F)S(C)(=O)=O ZINC000224679518 569953394 /nfs/dbraw/zinc/95/33/94/569953394.db2.gz GABNYGJXNFQZMD-UHFFFAOYSA-N 0 0 466.922 2.949 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1ccccc1CN1CCCC1=O)c1ccccc1F ZINC000224680425 569953457 /nfs/dbraw/zinc/95/34/57/569953457.db2.gz FMGPDCCANKPMLW-UHFFFAOYSA-N 0 0 461.559 2.811 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224690110 569953654 /nfs/dbraw/zinc/95/36/54/569953654.db2.gz DVSWYAZWLBAZIE-FQEVSTJZSA-N 0 0 474.627 2.551 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224695533 569953838 /nfs/dbraw/zinc/95/38/38/569953838.db2.gz ZKYHQEWNCRMKAE-HXUWFJFHSA-N 0 0 459.612 2.867 40 0 JFABRN CC[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224734424 569955373 /nfs/dbraw/zinc/95/53/73/569955373.db2.gz LXPTVYLADWWJGG-QHCPKHFHSA-N 0 0 459.612 2.688 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224759429 569956390 /nfs/dbraw/zinc/95/63/90/569956390.db2.gz JTHKDQTUCINIOM-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(CN(c3ccc(F)cc3)S(C)(=O)=O)c2)CC1 ZINC000224762471 569956584 /nfs/dbraw/zinc/95/65/84/569956584.db2.gz FDGASBMIGWMSLS-UHFFFAOYSA-N 0 0 493.557 2.715 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224763189 569956587 /nfs/dbraw/zinc/95/65/87/569956587.db2.gz ZRXJTMMSWHXLBA-QGZVFWFLSA-N 0 0 481.565 2.983 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224770231 569956874 /nfs/dbraw/zinc/95/68/74/569956874.db2.gz BKOGCJVVCVFKLF-LJQANCHMSA-N 0 0 485.606 2.863 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)s1 ZINC000224783463 569957404 /nfs/dbraw/zinc/95/74/04/569957404.db2.gz NCSXKNWAPCFNHQ-UHFFFAOYSA-N 0 0 485.396 2.515 40 0 JFABRN CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(CN(C)S(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000224784076 569957406 /nfs/dbraw/zinc/95/74/06/569957406.db2.gz YWMYWTFZCOIYEG-UHFFFAOYSA-N 0 0 489.594 2.739 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224804156 569958303 /nfs/dbraw/zinc/95/83/03/569958303.db2.gz ZINJZDFWRWPDMS-QRQLOZEOSA-N 0 0 459.974 2.925 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224804108 569958349 /nfs/dbraw/zinc/95/83/49/569958349.db2.gz ZINJZDFWRWPDMS-YTQUADARSA-N 0 0 459.974 2.925 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224807026 569958451 /nfs/dbraw/zinc/95/84/51/569958451.db2.gz YKIURDWGLGLQQM-MRXNPFEDSA-N 0 0 491.997 2.818 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224857264 569960490 /nfs/dbraw/zinc/96/04/90/569960490.db2.gz NBJSQVAWMGRGPD-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224858647 569960523 /nfs/dbraw/zinc/96/05/23/569960523.db2.gz FPBRQJWLKLLJJM-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224859783 569960600 /nfs/dbraw/zinc/96/06/00/569960600.db2.gz IIXMVMHQQUHNRN-GOSISDBHSA-N 0 0 493.601 2.852 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224874178 569961186 /nfs/dbraw/zinc/96/11/86/569961186.db2.gz HZYFFSVXNXNJBE-QGZVFWFLSA-N 0 0 489.569 2.694 40 0 JFABRN CCOc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 ZINC000224881487 569961734 /nfs/dbraw/zinc/96/17/34/569961734.db2.gz MKCGGBWWHUJHMH-INIZCTEOSA-N 0 0 488.566 2.957 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)c1 ZINC000224900292 569962364 /nfs/dbraw/zinc/96/23/64/569962364.db2.gz APKFLXMKOKXGTA-OAHLLOKOSA-N 0 0 474.539 2.567 40 0 JFABRN CCOC(=O)c1ccc(C)c(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 ZINC000224961977 569965333 /nfs/dbraw/zinc/96/53/33/569965333.db2.gz NGAOHIJVQYPLJM-UHFFFAOYSA-N 0 0 490.578 2.773 40 0 JFABRN COC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)c1 ZINC000408594718 569965712 /nfs/dbraw/zinc/96/57/12/569965712.db2.gz AOBLKJSHSHLPDH-ZDUSSCGKSA-N 0 0 471.514 2.963 40 0 JFABRN COC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000408595321 569966061 /nfs/dbraw/zinc/96/60/61/569966061.db2.gz HBFQODRYXMTUFA-CQSZACIVSA-N 0 0 483.550 2.832 40 0 JFABRN COC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)Cc3ccc(OC)cc3)n2C)c1 ZINC000408596178 569966788 /nfs/dbraw/zinc/96/67/88/569966788.db2.gz PSVTZDCJJUFPGM-HNNXBMFYSA-N 0 0 497.577 2.761 40 0 JFABRN CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000408596986 569967083 /nfs/dbraw/zinc/96/70/83/569967083.db2.gz XIFBQQSYLZVCAX-LJQANCHMSA-N 0 0 487.557 2.948 40 0 JFABRN COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)cc1 ZINC000408596944 569967094 /nfs/dbraw/zinc/96/70/94/569967094.db2.gz WUUYLWLFLYGJNE-UHFFFAOYSA-N 0 0 457.531 2.975 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408598056 569967780 /nfs/dbraw/zinc/96/77/80/569967780.db2.gz ZDVXQUYAVOIXGU-OSICKASQSA-N 0 0 457.596 2.528 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224994228 569968021 /nfs/dbraw/zinc/96/80/21/569968021.db2.gz FDDHRWWLZDMQTL-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224997101 569968108 /nfs/dbraw/zinc/96/81/08/569968108.db2.gz WRZIZLPTZALFHZ-MRXNPFEDSA-N 0 0 497.564 2.683 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224997143 569968163 /nfs/dbraw/zinc/96/81/63/569968163.db2.gz WRZIZLPTZALFHZ-INIZCTEOSA-N 0 0 497.564 2.683 40 0 JFABRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000408600766 569968696 /nfs/dbraw/zinc/96/86/96/569968696.db2.gz CICAWAQWONHFNB-HNNXBMFYSA-N 0 0 471.501 2.730 40 0 JFABRN C[C@H](Oc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)C(=O)N1CCOCC1 ZINC000408605105 569970548 /nfs/dbraw/zinc/97/05/48/569970548.db2.gz MOSVGIQVJLWBAZ-FQEVSTJZSA-N 0 0 472.607 2.956 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000225036221 569970705 /nfs/dbraw/zinc/97/07/05/569970705.db2.gz XFUZXVNSGWGOSP-OAQYLSRUSA-N 0 0 495.623 2.663 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000225036263 569970707 /nfs/dbraw/zinc/97/07/07/569970707.db2.gz XFUZXVNSGWGOSP-NRFANRHFSA-N 0 0 495.623 2.663 40 0 JFABRN CC(=O)Nc1cccc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)c1 ZINC000408606404 569971218 /nfs/dbraw/zinc/97/12/18/569971218.db2.gz IPVMBVGTJWHPSY-UHFFFAOYSA-N 0 0 454.346 2.808 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)s1 ZINC000225050431 569971808 /nfs/dbraw/zinc/97/18/08/569971808.db2.gz XNTMZECMVPURND-UHFFFAOYSA-N 0 0 485.396 2.515 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000225051292 569971918 /nfs/dbraw/zinc/97/19/18/569971918.db2.gz HYONOYVMQKNJGC-HXUWFJFHSA-N 0 0 489.638 2.837 40 0 JFABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)S(C)(=O)=O ZINC000408613231 569973272 /nfs/dbraw/zinc/97/32/72/569973272.db2.gz VXPCOTZFRLCKAI-QGZVFWFLSA-N 0 0 479.986 2.962 40 0 JFABRN Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)c1C ZINC000408614316 569973835 /nfs/dbraw/zinc/97/38/35/569973835.db2.gz ATZFOSLEATXJMI-DENIHFKCSA-N 0 0 465.550 2.969 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225082352 569973836 /nfs/dbraw/zinc/97/38/36/569973836.db2.gz SZQIVJWXEKVXRI-QFIPXVFZSA-N 0 0 475.611 2.795 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225083199 569973855 /nfs/dbraw/zinc/97/38/55/569973855.db2.gz NWTQVYSYMWVBOT-HXUWFJFHSA-N 0 0 463.575 2.925 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225083244 569973897 /nfs/dbraw/zinc/97/38/97/569973897.db2.gz NWTQVYSYMWVBOT-FQEVSTJZSA-N 0 0 463.575 2.925 40 0 JFABRN Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)c1C ZINC000408614318 569973912 /nfs/dbraw/zinc/97/39/12/569973912.db2.gz ATZFOSLEATXJMI-SIKLNZKXSA-N 0 0 465.550 2.969 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)cc1 ZINC000408614545 569973997 /nfs/dbraw/zinc/97/39/97/569973997.db2.gz DNBYFEHWVLELLM-AVRDEDQJSA-N 0 0 451.523 2.661 40 0 JFABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)S(C)(=O)=O ZINC000408614678 569974145 /nfs/dbraw/zinc/97/41/45/569974145.db2.gz GGAXKGAZQJZXBX-QGZVFWFLSA-N 0 0 479.986 2.962 40 0 JFABRN COC(=O)c1c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)sc2c1CCN(C)C2 ZINC000408614761 569974180 /nfs/dbraw/zinc/97/41/80/569974180.db2.gz HKOXQDILLZOQDG-UHFFFAOYSA-N 0 0 486.015 2.889 40 0 JFABRN Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000408615728 569974985 /nfs/dbraw/zinc/97/49/85/569974985.db2.gz RLTPPLOYMZAKAT-UGKGYDQZSA-N 0 0 465.550 2.969 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)cc1C ZINC000408615818 569975036 /nfs/dbraw/zinc/97/50/36/569975036.db2.gz SNJZEMBNCYBQML-AUSIDOKSSA-N 0 0 465.550 2.969 40 0 JFABRN CCc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)cc1 ZINC000408615795 569975046 /nfs/dbraw/zinc/97/50/46/569975046.db2.gz SHQQJDGOBLBVIY-CVDCTZTESA-N 0 0 465.550 2.915 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC ZINC000408616289 569975382 /nfs/dbraw/zinc/97/53/82/569975382.db2.gz FWFAQAVCHKGYPH-UHFFFAOYSA-N 0 0 463.556 2.637 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2)cc1 ZINC000408616247 569975385 /nfs/dbraw/zinc/97/53/85/569975385.db2.gz FJHVFZBEEIQARK-UHFFFAOYSA-N 0 0 451.504 2.876 40 0 JFABRN CSc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccc(C)cc2)cc1 ZINC000408616296 569975402 /nfs/dbraw/zinc/97/54/02/569975402.db2.gz FXXRKFRVHGWLLL-UHFFFAOYSA-N 0 0 477.652 2.751 40 0 JFABRN COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)C1 ZINC000408616422 569975476 /nfs/dbraw/zinc/97/54/76/569975476.db2.gz YYNWTPIWZVUENZ-IBGZPJMESA-N 0 0 453.539 2.827 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)COc1ccccc1C ZINC000225111742 569975561 /nfs/dbraw/zinc/97/55/61/569975561.db2.gz ANKQONOQAUPFNB-LJQANCHMSA-N 0 0 476.595 2.541 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408616498 569975586 /nfs/dbraw/zinc/97/55/86/569975586.db2.gz GWTFYNMZDZBYES-UHFFFAOYSA-N 0 0 468.915 2.626 40 0 JFABRN CCn1c2ccc(NC(=O)[C@H](C)N(c3ccc(OC)c(OC)c3)S(C)(=O)=O)cc2sc1=O ZINC000225115222 569975781 /nfs/dbraw/zinc/97/57/81/569975781.db2.gz NWTUQARMAMQRHQ-ZDUSSCGKSA-N 0 0 479.580 2.893 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408616749 569975855 /nfs/dbraw/zinc/97/58/55/569975855.db2.gz BQUWXWRIBSRHDK-UHFFFAOYSA-N 0 0 489.333 2.971 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000408617510 569976277 /nfs/dbraw/zinc/97/62/77/569976277.db2.gz DAWNDAXUOPYWEJ-UHFFFAOYSA-N 0 0 471.623 2.975 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225126044 569976598 /nfs/dbraw/zinc/97/65/98/569976598.db2.gz VXPKLXUMBMJYAB-BDTNDASRSA-N 0 0 453.583 2.970 40 0 JFABRN Cn1c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2n(C)c1=O ZINC000408619858 569977452 /nfs/dbraw/zinc/97/74/52/569977452.db2.gz NZVJIQBPCNHMQK-UHFFFAOYSA-N 0 0 490.891 2.954 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)Cc2cccc(Cl)c2)cc1 ZINC000408620779 569977952 /nfs/dbraw/zinc/97/79/52/569977952.db2.gz LZUGMWXEUBTIAB-UHFFFAOYSA-N 0 0 480.030 2.678 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225151362 569978200 /nfs/dbraw/zinc/97/82/00/569978200.db2.gz BHZNGSCNDGFJES-HZPDHXFCSA-N 0 0 491.997 2.817 40 0 JFABRN O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCCN1CCOCC1 ZINC000408622411 569978738 /nfs/dbraw/zinc/97/87/38/569978738.db2.gz QADHVHKZILWIDB-UHFFFAOYSA-N 0 0 486.421 2.633 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000408623573 569979304 /nfs/dbraw/zinc/97/93/04/569979304.db2.gz YCNXJTZZKPUMLS-UHFFFAOYSA-N 0 0 450.513 2.512 40 0 JFABRN CC(C)n1c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2sc1=O ZINC000225169307 569979769 /nfs/dbraw/zinc/97/97/69/569979769.db2.gz REMZZZXPBBAHMG-UHFFFAOYSA-N 0 0 461.565 2.917 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)Cc2c(F)cccc2Cl)cc1 ZINC000408624952 569979972 /nfs/dbraw/zinc/97/99/72/569979972.db2.gz UUYJFLMOIYUCRI-UHFFFAOYSA-N 0 0 498.020 2.817 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000408625245 569980101 /nfs/dbraw/zinc/98/01/01/569980101.db2.gz RPOSOQZKCIMRBE-INIZCTEOSA-N 0 0 451.976 2.754 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225178220 569980485 /nfs/dbraw/zinc/98/04/85/569980485.db2.gz NCJLXVCOBZBCBA-GOSISDBHSA-N 0 0 463.575 2.925 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225179834 569980518 /nfs/dbraw/zinc/98/05/18/569980518.db2.gz RSMBJUVSLNIYMP-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225179796 569980520 /nfs/dbraw/zinc/98/05/20/569980520.db2.gz RSMBJUVSLNIYMP-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225179696 569980544 /nfs/dbraw/zinc/98/05/44/569980544.db2.gz MIOBHEONYJHVNM-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O ZINC000408627691 569981300 /nfs/dbraw/zinc/98/13/00/569981300.db2.gz OUNBFMCMPGYSRZ-INIZCTEOSA-N 0 0 495.985 2.662 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000225199244 569981971 /nfs/dbraw/zinc/98/19/71/569981971.db2.gz CQDJGEDHBCPLIK-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000225201852 569982177 /nfs/dbraw/zinc/98/21/77/569982177.db2.gz XCTQDOGCTMVOEP-SFHVURJKSA-N 0 0 459.612 2.913 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225210118 569982683 /nfs/dbraw/zinc/98/26/83/569982683.db2.gz DZVBUWCZHYHVQV-MRXNPFEDSA-N 0 0 467.538 2.674 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225210785 569982794 /nfs/dbraw/zinc/98/27/94/569982794.db2.gz LJXZFLWLLBSKCJ-IBGZPJMESA-N 0 0 491.997 2.818 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225222326 569983515 /nfs/dbraw/zinc/98/35/15/569983515.db2.gz HFZASQPTFXRFCV-ZWKOTPCHSA-N 0 0 493.601 2.932 40 0 JFABRN CC(C)C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)s1 ZINC000225229203 569984252 /nfs/dbraw/zinc/98/42/52/569984252.db2.gz LGXCDZDXXHJTSW-UHFFFAOYSA-N 0 0 456.937 2.657 40 0 JFABRN COc1ccc(Nc2nc(/C=C3\SCCN3C(=O)CN(C)S(C)(=O)=O)cs2)cc1 ZINC000225252110 569985856 /nfs/dbraw/zinc/98/58/56/569985856.db2.gz ZXODWPCERVMFBR-LICLKQGHSA-N 0 0 454.599 2.661 40 0 JFABRN COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1C(=O)N1CCCCCC1 ZINC000225253530 569986002 /nfs/dbraw/zinc/98/60/02/569986002.db2.gz BOKAHOAEZLOMFS-QGZVFWFLSA-N 0 0 460.552 2.830 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1N1C(=O)CCC1=O ZINC000225260274 569986477 /nfs/dbraw/zinc/98/64/77/569986477.db2.gz JVPVMTWBEQNVLS-UHFFFAOYSA-N 0 0 477.970 2.821 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000225259808 569986486 /nfs/dbraw/zinc/98/64/86/569986486.db2.gz ODJMXXNLZPTFTI-DVECYGJZSA-N 0 0 480.542 2.740 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl)NC[C@@H]1CCCO1 ZINC000408636263 569986530 /nfs/dbraw/zinc/98/65/30/569986530.db2.gz MZEPLBBVYWCKPN-SFHVURJKSA-N 0 0 464.971 2.761 40 0 JFABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(=O)OCC)CC2)c(Cl)c1 ZINC000408636714 569986975 /nfs/dbraw/zinc/98/69/75/569986975.db2.gz UDYORRUHZKLHRN-UHFFFAOYSA-N 0 0 460.980 2.599 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225270586 569987255 /nfs/dbraw/zinc/98/72/55/569987255.db2.gz FOHBVMNFTNWPCX-JOCHJYFZSA-N 0 0 492.617 2.772 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)s1 ZINC000225278539 569987746 /nfs/dbraw/zinc/98/77/46/569987746.db2.gz KZSZGOQAPGCZGK-UHFFFAOYSA-N 0 0 496.567 2.776 40 0 JFABRN Cc1ccc(-c2nnc(NC(=O)c3ccc(CS(=O)(=O)N4CCN(C)CC4)cc3)s2)cc1 ZINC000225352666 569992390 /nfs/dbraw/zinc/99/23/90/569992390.db2.gz SLZLLOZJHGSXOG-UHFFFAOYSA-N 0 0 471.608 2.843 40 0 JFABRN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000225367435 569993294 /nfs/dbraw/zinc/99/32/94/569993294.db2.gz MNFABWQGFZNNPI-UHFFFAOYSA-N 0 0 479.356 2.778 40 0 JFABRN Cc1cc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)no1 ZINC000408649973 569993434 /nfs/dbraw/zinc/99/34/34/569993434.db2.gz FLECLGSILDLOOM-CSKPTYFESA-N 0 0 482.323 3.515 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225371902 569993540 /nfs/dbraw/zinc/99/35/40/569993540.db2.gz NYBRHLCZPJHKDW-VQTJNVASSA-N 0 0 489.638 2.956 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225376995 569993894 /nfs/dbraw/zinc/99/38/94/569993894.db2.gz ITWRPIVVCOOZGV-QFIPXVFZSA-N 0 0 493.601 2.934 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225376962 569993907 /nfs/dbraw/zinc/99/39/07/569993907.db2.gz ITWRPIVVCOOZGV-JOCHJYFZSA-N 0 0 493.601 2.934 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225382714 569994162 /nfs/dbraw/zinc/99/41/62/569994162.db2.gz FNWNSVCUZQQIPO-BHIFYINESA-N 0 0 469.582 2.670 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225382680 569994172 /nfs/dbraw/zinc/99/41/72/569994172.db2.gz FNWNSVCUZQQIPO-BDTNDASRSA-N 0 0 469.582 2.670 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(=O)OCC)cc3)CC2=O)cc1 ZINC000408651414 569994308 /nfs/dbraw/zinc/99/43/08/569994308.db2.gz DKNVKHPTFAWUDV-IBGZPJMESA-N 0 0 496.516 2.965 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000225387852 569994447 /nfs/dbraw/zinc/99/44/47/569994447.db2.gz ZJPYTIBFOQIWAO-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000225388244 569994454 /nfs/dbraw/zinc/99/44/54/569994454.db2.gz JHVRADHCHDKZKE-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000225388857 569994455 /nfs/dbraw/zinc/99/44/55/569994455.db2.gz CGGUTYKIOMQNMR-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000408652272 569994784 /nfs/dbraw/zinc/99/47/84/569994784.db2.gz GDWDGAGWOPZNBH-KRWDZBQOSA-N 0 0 467.522 2.668 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225414872 569995725 /nfs/dbraw/zinc/99/57/25/569995725.db2.gz VJGQKUSCAIFLAH-HSZRJFAPSA-N 0 0 489.638 2.958 40 0 JFABRN CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)c1 ZINC000408654122 569996016 /nfs/dbraw/zinc/99/60/16/569996016.db2.gz JPGLTAWHNARSPK-IBGZPJMESA-N 0 0 466.490 2.989 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)C(c2ccccc2)c2ccccc2)C1)Nc1ccccc1 ZINC000408654633 569996272 /nfs/dbraw/zinc/99/62/72/569996272.db2.gz KPNVMAYNBSVHDV-OAQYLSRUSA-N 0 0 471.513 2.880 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000225428444 569996367 /nfs/dbraw/zinc/99/63/67/569996367.db2.gz AHPSLABIFVXVNK-CYBMUJFWSA-N 0 0 473.929 2.548 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225432206 569996533 /nfs/dbraw/zinc/99/65/33/569996533.db2.gz YHLPPURWVDKDLF-VQTJNVASSA-N 0 0 459.612 2.827 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 ZINC000408654993 569996577 /nfs/dbraw/zinc/99/65/77/569996577.db2.gz HDPPUMRWHCJSKE-QGZVFWFLSA-N 0 0 484.505 2.805 40 0 JFABRN CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000225438122 569996818 /nfs/dbraw/zinc/99/68/18/569996818.db2.gz QIHMHWOEYOGIHI-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225439377 569996985 /nfs/dbraw/zinc/99/69/85/569996985.db2.gz NSBMDYQOPDFFKU-QFIPXVFZSA-N 0 0 477.602 2.968 40 0 JFABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2cccc(C)c2)C1 ZINC000408656653 569997824 /nfs/dbraw/zinc/99/78/24/569997824.db2.gz NTKWSHKPZFBNKO-HXUWFJFHSA-N 0 0 451.523 2.795 40 0 JFABRN Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1 ZINC000225468982 569998102 /nfs/dbraw/zinc/99/81/02/569998102.db2.gz LKVQNRAASWEODD-NRFANRHFSA-N 0 0 488.654 2.858 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 ZINC000408657343 569998144 /nfs/dbraw/zinc/99/81/44/569998144.db2.gz PERIHWAYRPZLCV-GOSISDBHSA-N 0 0 482.489 2.573 40 0 JFABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1 ZINC000408657268 569998180 /nfs/dbraw/zinc/99/81/80/569998180.db2.gz OREQZTMDHALASB-CQSZACIVSA-N 0 0 464.305 2.977 40 0 JFABRN O=C(NCc1ccc(CN2CCCC2=O)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000225471916 569998375 /nfs/dbraw/zinc/99/83/75/569998375.db2.gz RUAGRJCMZNYRTA-UHFFFAOYSA-N 0 0 455.580 2.526 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225474411 569998510 /nfs/dbraw/zinc/99/85/10/569998510.db2.gz XMRVBNGBXCDHRB-FXAWDEMLSA-N 0 0 471.579 2.553 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)cc1 ZINC000225475399 569998552 /nfs/dbraw/zinc/99/85/52/569998552.db2.gz LOQXQZCNMYWYMQ-UHFFFAOYSA-N 0 0 470.551 2.852 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1cccc(F)c1)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C ZINC000225486463 569999248 /nfs/dbraw/zinc/99/92/48/569999248.db2.gz RNPDWPBACASIJQ-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C)cc3)C2)cc1 ZINC000408659402 569999541 /nfs/dbraw/zinc/99/95/41/569999541.db2.gz SHJBRZIBRDKVBX-HXUWFJFHSA-N 0 0 495.532 2.627 40 0 JFABRN COc1ccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000225493055 569999579 /nfs/dbraw/zinc/99/95/79/569999579.db2.gz HULUQBKQVCGYPL-UHFFFAOYSA-N 0 0 474.514 2.601 40 0 JFABRN Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1 ZINC000225492795 569999591 /nfs/dbraw/zinc/99/95/91/569999591.db2.gz KHLSQPNDWITPSL-UHFFFAOYSA-N 0 0 458.515 2.901 40 0 JFABRN Cc1ccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000225492835 569999610 /nfs/dbraw/zinc/99/96/10/569999610.db2.gz RKFITGOIJUWIOM-UHFFFAOYSA-N 0 0 458.515 2.901 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCC2=O)cc1)Cc1ccccc1Cl ZINC000225500545 570000260 /nfs/dbraw/zinc/00/02/60/570000260.db2.gz BGEYETBCBXJALO-UHFFFAOYSA-N 0 0 463.987 2.540 40 0 JFABRN CCOc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)ccc1OC ZINC000225501576 570000403 /nfs/dbraw/zinc/00/04/03/570000403.db2.gz KMKNDKNYWGWYRL-UHFFFAOYSA-N 0 0 462.568 2.820 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1 ZINC000408660593 570000429 /nfs/dbraw/zinc/00/04/29/570000429.db2.gz USMAIBJYCSWBIG-QGZVFWFLSA-N 0 0 454.479 2.797 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225503228 570000588 /nfs/dbraw/zinc/00/05/88/570000588.db2.gz USZMRSFEINCKQK-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225508728 570001019 /nfs/dbraw/zinc/00/10/19/570001019.db2.gz BUDCXWBHMIAMCZ-IBGZPJMESA-N 0 0 492.617 2.689 40 0 JFABRN Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3)C2)c(C)cc1Br ZINC000408661487 570001058 /nfs/dbraw/zinc/00/10/58/570001058.db2.gz VYUVHXWRMGZLOV-MRXNPFEDSA-N 0 0 488.338 2.741 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225511192 570001198 /nfs/dbraw/zinc/00/11/98/570001198.db2.gz WIJCWZOFWFDQDT-IBGZPJMESA-N 0 0 492.617 2.689 40 0 JFABRN Cc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC(C)C)c1 ZINC000225511749 570001218 /nfs/dbraw/zinc/00/12/18/570001218.db2.gz VOYGSWPFXRTBST-LJQANCHMSA-N 0 0 485.606 2.862 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000408662441 570001725 /nfs/dbraw/zinc/00/17/25/570001725.db2.gz IPPWKLBKJPSEHS-UHFFFAOYSA-N 0 0 456.451 2.551 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000225522917 570002199 /nfs/dbraw/zinc/00/21/99/570002199.db2.gz LMAQIBNFBJCHGR-IBGZPJMESA-N 0 0 473.595 2.801 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225523611 570002272 /nfs/dbraw/zinc/00/22/72/570002272.db2.gz GGTJEDDVRMIJKD-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)c1 ZINC000408663473 570002421 /nfs/dbraw/zinc/00/24/21/570002421.db2.gz YJRZYYRGUIARIK-SFHVURJKSA-N 0 0 451.523 2.968 40 0 JFABRN CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000408663414 570002441 /nfs/dbraw/zinc/00/24/41/570002441.db2.gz YALGCVWBJZAOAW-LJQANCHMSA-N 0 0 479.533 2.862 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3CN3CCCC3=O)C2)cc1 ZINC000225525875 570002553 /nfs/dbraw/zinc/00/25/53/570002553.db2.gz LTSBAAWWQJHYNL-JOCHJYFZSA-N 0 0 469.607 2.835 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225527346 570002694 /nfs/dbraw/zinc/00/26/94/570002694.db2.gz XIBOEUVAYNPWSU-KRWDZBQOSA-N 0 0 481.565 2.981 40 0 JFABRN COc1cccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)c1 ZINC000225528447 570002788 /nfs/dbraw/zinc/00/27/88/570002788.db2.gz NSQUJYMDGGRNGP-SFHVURJKSA-N 0 0 470.551 2.771 40 0 JFABRN Cc1ccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225531270 570003082 /nfs/dbraw/zinc/00/30/82/570003082.db2.gz HBCLMYIMCDADHL-IBGZPJMESA-N 0 0 485.606 2.862 40 0 JFABRN COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000225531099 570003085 /nfs/dbraw/zinc/00/30/85/570003085.db2.gz DDUGFKSNLIBHCH-DLBZAZTESA-N 0 0 450.532 2.819 40 0 JFABRN COC(=O)c1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000225540454 570003902 /nfs/dbraw/zinc/00/39/02/570003902.db2.gz LHLXNYQHDUHBCX-HNNXBMFYSA-N 0 0 450.488 2.660 40 0 JFABRN COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1OC ZINC000225540902 570003993 /nfs/dbraw/zinc/00/39/93/570003993.db2.gz ICZQYQLSRDOQSK-KRWDZBQOSA-N 0 0 450.532 2.902 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 ZINC000408667024 570005065 /nfs/dbraw/zinc/00/50/65/570005065.db2.gz IVQADIXIXGDRQX-SFHVURJKSA-N 0 0 481.505 2.745 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)on2)C3=O)cc1 ZINC000408667335 570005279 /nfs/dbraw/zinc/00/52/79/570005279.db2.gz SRIPXQUKDBOBGX-UHFFFAOYSA-N 0 0 477.429 2.756 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000225560432 570005778 /nfs/dbraw/zinc/00/57/78/570005778.db2.gz JNVYMTAZJOIULE-UHFFFAOYSA-N 0 0 460.552 2.612 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000225568556 570006344 /nfs/dbraw/zinc/00/63/44/570006344.db2.gz LYGDAQGFDWXYNO-UHFFFAOYSA-N 0 0 493.607 2.517 40 0 JFABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000408669221 570006364 /nfs/dbraw/zinc/00/63/64/570006364.db2.gz NJYYPFSXIDYUDD-SFHVURJKSA-N 0 0 451.523 2.968 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1 ZINC000225573039 570006641 /nfs/dbraw/zinc/00/66/41/570006641.db2.gz YUCSZZYCRSLQLI-UHFFFAOYSA-N 0 0 456.524 2.850 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 ZINC000408670803 570007316 /nfs/dbraw/zinc/00/73/16/570007316.db2.gz XGJDNSFNIPKVOZ-OALUTQOASA-N 0 0 464.474 2.955 40 0 JFABRN CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C(=O)OC)cc3)CC2=O)cc1 ZINC000408672418 570008249 /nfs/dbraw/zinc/00/82/49/570008249.db2.gz WLVJBFSCZYBPQN-LJQANCHMSA-N 0 0 496.516 2.965 40 0 JFABRN C[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225596188 570008455 /nfs/dbraw/zinc/00/84/55/570008455.db2.gz JROWARJCBDCQRH-ZDUSSCGKSA-N 0 0 450.467 2.828 40 0 JFABRN CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1OCC ZINC000225604002 570008811 /nfs/dbraw/zinc/00/88/11/570008811.db2.gz HMJKTVJTVNLYHZ-INIZCTEOSA-N 0 0 450.557 2.964 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2C)CC1 ZINC000408674615 570009259 /nfs/dbraw/zinc/00/92/59/570009259.db2.gz CNSILUNYTZOJKI-UHFFFAOYSA-N 0 0 490.578 2.985 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000225612411 570009527 /nfs/dbraw/zinc/00/95/27/570009527.db2.gz MXHRJRMJEAQREK-UHFFFAOYSA-N 0 0 459.612 2.844 40 0 JFABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(CC)CC3)c(C)c2)cc1 ZINC000408674837 570009598 /nfs/dbraw/zinc/00/95/98/570009598.db2.gz JMJHVJCKYQLCNA-UHFFFAOYSA-N 0 0 461.584 2.737 40 0 JFABRN CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)CC1 ZINC000408677148 570010855 /nfs/dbraw/zinc/01/08/55/570010855.db2.gz QHOZXWHOWZMPNT-UHFFFAOYSA-N 0 0 479.530 2.614 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000225657699 570012837 /nfs/dbraw/zinc/01/28/37/570012837.db2.gz XSANDNZBQNNIBB-IBGZPJMESA-N 0 0 489.638 2.966 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2nnc(C)s2)C3=O)cc1 ZINC000408683058 570013134 /nfs/dbraw/zinc/01/31/34/570013134.db2.gz HGZBDYGCRJHFBI-UHFFFAOYSA-N 0 0 494.485 2.619 40 0 JFABRN COc1ccccc1N(CCCC(=O)N(C)Cc1nc(-c2ccccc2)no1)S(C)(=O)=O ZINC000225662475 570013197 /nfs/dbraw/zinc/01/31/97/570013197.db2.gz AZFVDYSLRTZORP-UHFFFAOYSA-N 0 0 458.540 2.950 40 0 JFABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000225694589 570015403 /nfs/dbraw/zinc/01/54/03/570015403.db2.gz NIEPIQBHRHTREJ-SFHVURJKSA-N 0 0 478.567 2.752 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C(=O)N1CCCCC1 ZINC000408693475 570016122 /nfs/dbraw/zinc/01/61/22/570016122.db2.gz WDNNBBNHXMLZBY-UHFFFAOYSA-N 0 0 457.596 2.828 40 0 JFABRN CC(C)n1c2ccc(S(=O)(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2sc1=O ZINC000225707931 570016330 /nfs/dbraw/zinc/01/63/30/570016330.db2.gz DRYQFIVHJQJWKQ-UHFFFAOYSA-N 0 0 455.583 2.841 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225707125 570016353 /nfs/dbraw/zinc/01/63/53/570016353.db2.gz LSBQOXGWKYCEOO-HXUWFJFHSA-N 0 0 463.575 2.924 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000408694159 570016767 /nfs/dbraw/zinc/01/67/67/570016767.db2.gz CZKVWLNPIFCCLT-UHFFFAOYSA-N 0 0 462.524 2.753 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000408694476 570017006 /nfs/dbraw/zinc/01/70/06/570017006.db2.gz IGLKQOWWOFXOEM-UHFFFAOYSA-N 0 0 450.513 2.675 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 ZINC000408695399 570017788 /nfs/dbraw/zinc/01/77/88/570017788.db2.gz TZZXFHUPZIIPPH-UHFFFAOYSA-N 0 0 494.013 2.959 40 0 JFABRN CCCn1c2ccc(S(=O)(=O)NCc3cc(OC)c(OC)c(OC)c3)cc2sc1=O ZINC000225732397 570018494 /nfs/dbraw/zinc/01/84/94/570018494.db2.gz DTZZXZCIOAADRU-UHFFFAOYSA-N 0 0 452.554 2.977 40 0 JFABRN O=C(Cn1ccc(=O)c2cc(Br)ccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000225730481 570018518 /nfs/dbraw/zinc/01/85/18/570018518.db2.gz ZMNQXXSXZXQYAN-UHFFFAOYSA-N 0 0 484.350 2.837 40 0 JFABRN COc1ccccc1N1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)CC1 ZINC000225766236 570020666 /nfs/dbraw/zinc/02/06/66/570020666.db2.gz MKNKBMWDBLQCRE-UHFFFAOYSA-N 0 0 493.998 2.963 40 0 JFABRN CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)CC2)CC1 ZINC000408700121 570020870 /nfs/dbraw/zinc/02/08/70/570020870.db2.gz BBCMWZDZXHHEES-UHFFFAOYSA-N 0 0 481.615 2.520 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 ZINC000408701844 570022149 /nfs/dbraw/zinc/02/21/49/570022149.db2.gz GZEHMTMSSIIBNY-UHFFFAOYSA-N 0 0 480.926 2.950 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000225814570 570023169 /nfs/dbraw/zinc/02/31/69/570023169.db2.gz GQACDGCVNOIDCM-OAQYLSRUSA-N 0 0 459.568 2.683 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000408703599 570023333 /nfs/dbraw/zinc/02/33/33/570023333.db2.gz ULQOIZNTONIKHR-UHFFFAOYSA-N 0 0 481.596 2.518 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccc2c(c1)OCO2 ZINC000408703654 570023347 /nfs/dbraw/zinc/02/33/47/570023347.db2.gz VVXADLFDCYEPEV-UHFFFAOYSA-N 0 0 456.904 2.881 40 0 JFABRN COc1cccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c1 ZINC000225824818 570023616 /nfs/dbraw/zinc/02/36/16/570023616.db2.gz HZBWKSNLHSLYKS-UHFFFAOYSA-N 0 0 450.495 2.751 40 0 JFABRN Cc1ccc(CSCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000408704494 570024040 /nfs/dbraw/zinc/02/40/40/570024040.db2.gz OLYZYTSMHSSUBB-QGZVFWFLSA-N 0 0 464.609 2.970 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000225840881 570024350 /nfs/dbraw/zinc/02/43/50/570024350.db2.gz WOYGGZOMYJBISH-UHFFFAOYSA-N 0 0 458.540 2.553 40 0 JFABRN CCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)c1ccc2c(c1)OCO2 ZINC000408705333 570024586 /nfs/dbraw/zinc/02/45/86/570024586.db2.gz CJZGXHPIWLEATI-UHFFFAOYSA-N 0 0 459.568 2.537 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000408705562 570024622 /nfs/dbraw/zinc/02/46/22/570024622.db2.gz IOYSDHIPCKIFJW-OAHLLOKOSA-N 0 0 461.540 2.738 40 0 JFABRN C[C@H]1CCC[N@H+](CCC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)C1 ZINC000225851180 570024761 /nfs/dbraw/zinc/02/47/61/570024761.db2.gz SNFFFTKVWKZXNY-ZDUSSCGKSA-N 0 0 458.009 2.844 40 0 JFABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000408712922 570025362 /nfs/dbraw/zinc/02/53/62/570025362.db2.gz BKEMWBHVFPDBBU-UHFFFAOYSA-N 0 0 480.384 2.879 40 0 JFABRN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000408713732 570025613 /nfs/dbraw/zinc/02/56/13/570025613.db2.gz QVPJWLUUIGADDT-HNNXBMFYSA-N 0 0 450.488 2.660 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)c1 ZINC000225867792 570025736 /nfs/dbraw/zinc/02/57/36/570025736.db2.gz RDGGBOMXHURSMR-UHFFFAOYSA-N 0 0 478.596 2.739 40 0 JFABRN S=C(NCCN1CCOCC1)Nc1nc(N2Cc3ccccc3C2)cc(N2CCCCC2)n1 ZINC000225903591 570026613 /nfs/dbraw/zinc/02/66/13/570026613.db2.gz MGXYXXAPVCVPDS-UHFFFAOYSA-N 0 0 467.643 2.606 40 0 JFABRN S=C(NCCN1CCOCC1)Nc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1 ZINC000225904993 570026724 /nfs/dbraw/zinc/02/67/24/570026724.db2.gz LONIORQROMZRIK-UHFFFAOYSA-N 0 0 461.680 2.856 40 0 JFABRN C[C@@H]1CCCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225904226 570026741 /nfs/dbraw/zinc/02/67/41/570026741.db2.gz GEZAQEZKWRLIJU-MOPGFXCFSA-N 0 0 461.680 2.710 40 0 JFABRN CC1CCN(c2cc(N3CCc4ccccc4C3)nc(NC(=S)NCCN3CCOCC3)n2)CC1 ZINC000225904092 570026748 /nfs/dbraw/zinc/02/67/48/570026748.db2.gz SJHLMQMMZXVXLT-UHFFFAOYSA-N 0 0 495.697 2.894 40 0 JFABRN C[C@@H]1CCCN(c2cc(N3CCc4ccccc4C3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225904291 570026789 /nfs/dbraw/zinc/02/67/89/570026789.db2.gz DHSZTDARCFYDTQ-HXUWFJFHSA-N 0 0 495.697 2.894 40 0 JFABRN S=C(NC[C@H]1CCCO1)Nc1nc(N2CCCC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225906896 570027013 /nfs/dbraw/zinc/02/70/13/570027013.db2.gz ZHXQUFGGMTXLKG-HXUWFJFHSA-N 0 0 467.643 2.869 40 0 JFABRN COCc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C(=O)N(c4cccc(COC)c4)C(=O)[C@H]32)c1 ZINC000408723741 570027630 /nfs/dbraw/zinc/02/76/30/570027630.db2.gz HVVWFACYFBIXKA-MWIVGIEESA-N 0 0 486.524 2.707 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c1 ZINC000225920812 570027704 /nfs/dbraw/zinc/02/77/04/570027704.db2.gz MHYONBPEMZBYFQ-SFHVURJKSA-N 0 0 479.624 2.559 40 0 JFABRN O=C(Oc1cccc(C=C2NC(=S)NC2=O)c1)c1ccccc1I ZINC000408727452 570028317 /nfs/dbraw/zinc/02/83/17/570028317.db2.gz YRAVUGSCYRJGLG-ZROIWOOFSA-N 0 0 450.257 2.856 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N[C@H]1c1ccc(OC)cc1 ZINC000408730575 570029001 /nfs/dbraw/zinc/02/90/01/570029001.db2.gz IGJNJYQZVFSZGQ-PZHBDVNGSA-N 0 0 464.543 2.924 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(O)c(OCC)c3)sc2=N[C@H]1c1ccco1 ZINC000408731310 570029102 /nfs/dbraw/zinc/02/91/02/570029102.db2.gz LRXNVKAUFSVJOU-SQWSFHKJSA-N 0 0 454.504 2.605 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000225998372 570031581 /nfs/dbraw/zinc/03/15/81/570031581.db2.gz LEWNYOQDXGMXFK-UHFFFAOYSA-N 0 0 479.624 2.865 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000225998069 570031610 /nfs/dbraw/zinc/03/16/10/570031610.db2.gz NPQRHAYKRIKYNB-QFIPXVFZSA-N 0 0 472.563 2.977 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21)C1CCCCC1 ZINC000226040804 570033773 /nfs/dbraw/zinc/03/37/73/570033773.db2.gz VTCFDMSFGDTGAF-DEOSSOPVSA-N 0 0 499.633 2.734 40 0 JFABRN COc1ccc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000226045212 570033991 /nfs/dbraw/zinc/03/39/91/570033991.db2.gz CLSINLZGCMKLRM-UHFFFAOYSA-N 0 0 468.535 2.791 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCSc1n[nH]c(C)n1)Cc1ccccc1 ZINC000226045567 570033996 /nfs/dbraw/zinc/03/39/96/570033996.db2.gz LGLRHOJMBTUTFG-UHFFFAOYSA-N 0 0 489.623 2.530 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000226046897 570034142 /nfs/dbraw/zinc/03/41/42/570034142.db2.gz OSKWHZQDTXPKFD-UHFFFAOYSA-N 0 0 473.595 2.900 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc[nH]n2)Cc2ccccc2)cc1Cl ZINC000226051063 570034375 /nfs/dbraw/zinc/03/43/75/570034375.db2.gz PIAXDGHHVAJWEC-UHFFFAOYSA-N 0 0 496.014 2.566 40 0 JFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(CC(N)=O)cc2)cc1C ZINC000226053327 570034523 /nfs/dbraw/zinc/03/45/23/570034523.db2.gz SOTHFXSFQVEPHT-UHFFFAOYSA-N 0 0 495.601 2.904 40 0 JFABRN CCN(CC(=O)NCc1c(OC)cccc1OC)S(=O)(=O)c1ccc(Br)cc1 ZINC000226054177 570034708 /nfs/dbraw/zinc/03/47/08/570034708.db2.gz ZMAWZRGNVVRSPO-UHFFFAOYSA-N 0 0 471.373 2.793 40 0 JFABRN CCN(CC(=O)NCCSc1n[nH]c(-c2ccccc2)n1)S(=O)(=O)c1cc(C)ccc1OC ZINC000226055530 570034820 /nfs/dbraw/zinc/03/48/20/570034820.db2.gz CCAJBTVKJOUMEV-UHFFFAOYSA-N 0 0 489.623 2.708 40 0 JFABRN CCN(CC(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000226055339 570034826 /nfs/dbraw/zinc/03/48/26/570034826.db2.gz RJKLJVVOMHDTTL-UHFFFAOYSA-N 0 0 480.583 2.699 40 0 JFABRN CCN(CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000226055768 570034828 /nfs/dbraw/zinc/03/48/28/570034828.db2.gz UFRVMGKYNHVHOI-UHFFFAOYSA-N 0 0 473.595 2.818 40 0 JFABRN CCOC(=O)C1(c2ccc(NC(=O)CN(C)S(=O)(=O)c3cc(F)ccc3OC)cc2)CC1 ZINC000226069137 570035508 /nfs/dbraw/zinc/03/55/08/570035508.db2.gz ZVDXBZFDXPYLON-UHFFFAOYSA-N 0 0 464.515 2.688 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)CC2)cc1 ZINC000226074950 570036025 /nfs/dbraw/zinc/03/60/25/570036025.db2.gz XYRBDXCUWDBWEJ-UHFFFAOYSA-N 0 0 485.606 2.900 40 0 JFABRN COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 ZINC000226078158 570036427 /nfs/dbraw/zinc/03/64/27/570036427.db2.gz WJKRJUDODCSNDO-UHFFFAOYSA-N 0 0 462.568 2.772 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000226084076 570036635 /nfs/dbraw/zinc/03/66/35/570036635.db2.gz DLGFQKXJSIODGH-SFHVURJKSA-N 0 0 460.552 2.840 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2)n1 ZINC000226088246 570036940 /nfs/dbraw/zinc/03/69/40/570036940.db2.gz XMDRTVLSUVPDKL-SFHVURJKSA-N 0 0 452.536 2.785 40 0 JFABRN C[C@H]1Cc2cccc3c2n1cc(C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c3=O ZINC000226093891 570037115 /nfs/dbraw/zinc/03/71/15/570037115.db2.gz LYFAKRLKBXRMEI-KRWDZBQOSA-N 0 0 465.575 2.876 40 0 JFABRN COc1cccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5[C@@H]6C=C[C@@H](C6)[C@@H]5C4=O)c3)CC2=O)c1 ZINC000226405568 570037951 /nfs/dbraw/zinc/03/79/51/570037951.db2.gz DRWCAAVPLFQKNF-PHJRYONYSA-N 0 0 472.497 2.965 40 0 JFABRN COC(=O)[C@@H]1NC(c2ccccc2)(c2ccccc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000229884519 570041825 /nfs/dbraw/zinc/04/18/25/570041825.db2.gz QLGNKQPVFSIVOY-RJGXRXQPSA-N 0 0 456.498 2.889 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238900776 570047567 /nfs/dbraw/zinc/04/75/67/570047567.db2.gz JWTWVAVUQMMSIC-NIDMROIKSA-N 0 0 592.981 2.933 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000238900774 570047628 /nfs/dbraw/zinc/04/76/28/570047628.db2.gz JWTWVAVUQMMSIC-BIJRFUASSA-N 0 0 592.981 2.933 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCO4)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000238901743 570047678 /nfs/dbraw/zinc/04/76/78/570047678.db2.gz MJRFCSQUAHKKFK-XICSTMNISA-N 0 0 626.567 2.693 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408808832 570048523 /nfs/dbraw/zinc/04/85/23/570048523.db2.gz GEPUFXIFDZWUJL-FNGUVFISSA-N 0 0 480.517 2.724 40 0 JFABRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=O)N(C)C2=O)cc1OC ZINC000408816311 570050558 /nfs/dbraw/zinc/05/05/58/570050558.db2.gz JIDBDVLDMVTYJL-GHXNOFRVSA-N 0 0 477.276 2.908 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3O)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408829017 570052507 /nfs/dbraw/zinc/05/25/07/570052507.db2.gz WUCMZGCMUHWGTN-YOKWNPFVSA-N 0 0 494.569 2.997 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408831122 570052824 /nfs/dbraw/zinc/05/28/24/570052824.db2.gz PSDZKYAORSZUOT-VLOXRPPESA-N 0 0 464.543 2.821 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408832952 570052864 /nfs/dbraw/zinc/05/28/64/570052864.db2.gz SHEGHAZSTYCEMV-CVGPFBNFSA-N 0 0 476.554 2.878 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408836572 570053165 /nfs/dbraw/zinc/05/31/65/570053165.db2.gz SQBNYEGRRAYUNJ-IMEWXKHHSA-N 0 0 463.559 2.981 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408867308 570058456 /nfs/dbraw/zinc/05/84/56/570058456.db2.gz KNMLLJBRKSYNCM-VLOXRPPESA-N 0 0 497.548 2.976 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408905496 570070524 /nfs/dbraw/zinc/07/05/24/570070524.db2.gz AVCSKKRNQNWDRT-CKNGIZQFSA-N 0 0 479.558 2.601 40 0 JFABRN COc1ccc(N(CC(=O)NCCSCc2cccc(C)c2)S(C)(=O)=O)c(OC)c1 ZINC000408920442 570076854 /nfs/dbraw/zinc/07/68/54/570076854.db2.gz HTTZCHAMYHNFTL-UHFFFAOYSA-N 0 0 452.598 2.828 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(C)o4)c(=O)n32)cc1OCC ZINC000408932439 570080417 /nfs/dbraw/zinc/08/04/17/570080417.db2.gz CDAURULFXFNRCX-OCBOALCKSA-N 0 0 468.531 2.717 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Sc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000252430689 570080451 /nfs/dbraw/zinc/08/04/51/570080451.db2.gz FDRTYADXAMZRMR-PXTPFGJHSA-N 0 0 474.915 2.515 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)cc4)c(=O)n32)cc1OCC ZINC000408933709 570080765 /nfs/dbraw/zinc/08/07/65/570080765.db2.gz KGBDICHWCCFGJT-UWYGHVLSSA-N 0 0 494.569 2.824 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4OC)c(=O)n32)cc1OCC ZINC000408939751 570082348 /nfs/dbraw/zinc/08/23/48/570082348.db2.gz UFSPUTOXPHLZDO-XUKJQLKWSA-N 0 0 494.569 2.824 40 0 JFABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)cc1 ZINC000408961226 570085961 /nfs/dbraw/zinc/08/59/61/570085961.db2.gz BOGSDPLSOYQDCW-WQRHYEAKSA-N 0 0 455.492 2.624 40 0 JFABRN NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 ZINC000408962596 570086527 /nfs/dbraw/zinc/08/65/27/570086527.db2.gz IGIHBPDZYVGFFO-SXGWCWSVSA-N 0 0 490.335 2.988 40 0 JFABRN COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(O)c(I)c3)C2=O)cc1 ZINC000408964925 570087119 /nfs/dbraw/zinc/08/71/19/570087119.db2.gz UAENIAJLLITSAV-DHDCSXOGSA-N 0 0 493.257 2.537 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408974978 570089576 /nfs/dbraw/zinc/08/95/76/570089576.db2.gz HBTJTLRZKYEKHG-FBHQFGEZSA-N 0 0 464.543 2.903 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000408990805 570093963 /nfs/dbraw/zinc/09/39/63/570093963.db2.gz WMEHSEZHQOXWIP-CNSVBDKNSA-N 0 0 452.507 2.946 40 0 JFABRN COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(Cc1cccnc1)CC2=O ZINC000253400751 570096556 /nfs/dbraw/zinc/09/65/56/570096556.db2.gz LREZCFCOHCYCKB-YENFZODQSA-N 0 0 492.620 2.650 40 0 JFABRN O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCCO ZINC000409004752 570097621 /nfs/dbraw/zinc/09/76/21/570097621.db2.gz QRZPBAFAYYMPKR-UHFFFAOYSA-N 0 0 451.759 2.946 40 0 JFABRN COc1ccccc1N1CCN(C(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)CC1 ZINC000409023109 570103605 /nfs/dbraw/zinc/10/36/05/570103605.db2.gz DMGQERBJWBXYGC-UHFFFAOYSA-N 0 0 467.566 2.913 40 0 JFABRN CC(C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000409026385 570104555 /nfs/dbraw/zinc/10/45/55/570104555.db2.gz NOVLIAQTFLFZEQ-UHFFFAOYSA-N 0 0 468.373 2.992 40 0 JFABRN NC(=O)C1CCN(C(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000409028548 570105323 /nfs/dbraw/zinc/10/53/23/570105323.db2.gz OONLVNIKVLYJGZ-UHFFFAOYSA-N 0 0 470.378 2.913 40 0 JFABRN COc1cccc(NC(=O)COc2ccc(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)cc2)c1 ZINC000256055557 570106948 /nfs/dbraw/zinc/10/69/48/570106948.db2.gz LBVQWXAKHODCEF-BKUYFWCQSA-N 0 0 485.525 2.787 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(OC)c(O)c3)sc2=N1 ZINC000409040388 570107359 /nfs/dbraw/zinc/10/73/59/570107359.db2.gz TZNJRRSTGPXKRO-YMFQVDJJSA-N 0 0 450.516 2.513 40 0 JFABRN O=C(CC1(COc2ccc(Cl)cc2)CCN(C(=O)c2cncnc2)CC1)N1CCOCC1 ZINC000257201041 570108021 /nfs/dbraw/zinc/10/80/21/570108021.db2.gz AFXSZRQELUZYHQ-UHFFFAOYSA-N 0 0 458.946 2.680 40 0 JFABRN O=C(CCn1ccnc1)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 ZINC000257201426 570108205 /nfs/dbraw/zinc/10/82/05/570108205.db2.gz AHQVYSGIWRKKFO-XMMPIXPASA-N 0 0 474.989 2.863 40 0 JFABRN NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2cnc(N3CCCCC3)nc2)CCO1 ZINC000257202117 570108525 /nfs/dbraw/zinc/10/85/25/570108525.db2.gz AKODLWPCXVOTIQ-HSZRJFAPSA-N 0 0 459.978 2.646 40 0 JFABRN CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)c2ccc(=O)n(CC(N)=O)c2)CO[C@H]1c1ccc(F)cc1 ZINC000257203514 570108928 /nfs/dbraw/zinc/10/89/28/570108928.db2.gz AQKMWUZXZLLWNL-OPHFCASCSA-N 0 0 455.530 2.881 40 0 JFABRN COc1cccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCOCC3)C2)c1 ZINC000257203446 570108943 /nfs/dbraw/zinc/10/89/43/570108943.db2.gz AQCJRVCDKVCBLK-CVDCTZTESA-N 0 0 456.514 2.993 40 0 JFABRN O=C(CN1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2)N1CC(=O)Nc2ccccc21 ZINC000257203914 570109017 /nfs/dbraw/zinc/10/90/17/570109017.db2.gz ASECCPJZIXPLEW-AVRWGWEMSA-N 0 0 450.514 2.639 40 0 JFABRN CCc1cc2c(ncnc2NCCCC(=O)N2CCC[C@]3(Cc4c(nc(N)nc4N)O3)CC2)s1 ZINC000257206147 570109725 /nfs/dbraw/zinc/10/97/25/570109725.db2.gz BCBCCMKKFIBQHY-HSZRJFAPSA-N 0 0 482.614 2.787 40 0 JFABRN CC(C)(NC(=O)Cc1ccccc1)C(=O)N1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCC(=O)N2 ZINC000257206525 570109905 /nfs/dbraw/zinc/10/99/05/570109905.db2.gz BDWDZXPOGGFCFH-HFZDXXHNSA-N 0 0 451.542 2.928 40 0 JFABRN CC(C)c1nc2ccccc2n1CCCC(=O)N1C[C@@H](O)[C@H](n2ccc3c2nccc3C(N)=O)C1 ZINC000257206393 570109907 /nfs/dbraw/zinc/10/99/07/570109907.db2.gz BDERXDFHOIEOER-FGZHOGPDSA-N 0 0 474.565 2.833 40 0 JFABRN CN1CCN(C(=O)c2cccc(Cn3ccnc3)c2)C[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000257207705 570110165 /nfs/dbraw/zinc/11/01/65/570110165.db2.gz BIWKMEFGARETJR-VWLOTQADSA-N 0 0 472.593 2.927 40 0 JFABRN O=C(c1cncc(-c2cncnc2)c1)N1CCCC[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000257210232 570111120 /nfs/dbraw/zinc/11/11/20/570111120.db2.gz BTSKFZSLXFPNAA-FDDCHVKYSA-N 0 0 463.563 2.854 40 0 JFABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(S(=O)(=O)c1cn(C)nc1C)[C@H]2Cc1ccccc1 ZINC000257212471 570111795 /nfs/dbraw/zinc/11/17/95/570111795.db2.gz CDOBVFZMSRHTKP-WFYLZJEKSA-N 0 0 456.612 2.892 40 0 JFABRN CC1(C)C(=O)NCCN1C(=O)CCC(=O)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000257213698 570112143 /nfs/dbraw/zinc/11/21/43/570112143.db2.gz CISKFGYNPOJXFB-LJQANCHMSA-N 0 0 469.973 2.978 40 0 JFABRN COc1ccc(C2(C(=O)N3CC[C@]4(C3)CN(c3ccccc3)C(=O)CO4)CCOCC2)cc1 ZINC000257215839 570112741 /nfs/dbraw/zinc/11/27/41/570112741.db2.gz CRWQWHUOVGQVKC-VWLOTQADSA-N 0 0 450.535 2.778 40 0 JFABRN O=C(c1cccc(OCCN2CCOCC2)c1)N1CC[C@@]2(CN(Cc3ccccc3)C(=O)O2)C1 ZINC000257219154 570113885 /nfs/dbraw/zinc/11/38/85/570113885.db2.gz DFUXIJBQSOHQQV-SANMLTNESA-N 0 0 465.550 2.635 40 0 JFABRN COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)CNC(=O)c3cncc(O)c3)C2)o1 ZINC000257220030 570114176 /nfs/dbraw/zinc/11/41/76/570114176.db2.gz DJFUQTHEULPWLH-KRWDZBQOSA-N 0 0 450.495 2.511 40 0 JFABRN O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCO ZINC000409061767 570114590 /nfs/dbraw/zinc/11/45/90/570114590.db2.gz HTGMMXIMANBLGT-UHFFFAOYSA-N 0 0 451.759 2.946 40 0 JFABRN CC1(C)CCC2(CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)CN1S(C)(=O)=O ZINC000257223378 570115146 /nfs/dbraw/zinc/11/51/46/570115146.db2.gz DXBIHBHIXOITPW-UHFFFAOYSA-N 0 0 465.616 2.703 40 0 JFABRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409064201 570115656 /nfs/dbraw/zinc/11/56/56/570115656.db2.gz OIQPEKARCMGZCU-CEITULEQSA-N 0 0 457.888 2.888 40 0 JFABRN COc1ccc([C@H]2CN(C(=O)c3cccc(NC(=O)c4cnn(C)c4)c3)CCN2C(C)=O)cc1 ZINC000257231474 570117369 /nfs/dbraw/zinc/11/73/69/570117369.db2.gz GGWFGPJBSSWOFO-HSZRJFAPSA-N 0 0 461.522 2.727 40 0 JFABRN CN1C(=O)N(CC(=O)N2CCC[C@H]2c2nc(Cc3ccc(F)cc3)n[nH]2)C(=O)C12CCCCC2 ZINC000257232480 570117764 /nfs/dbraw/zinc/11/77/64/570117764.db2.gz GLARJXUXCHBQQW-SFHVURJKSA-N 0 0 468.533 2.795 40 0 JFABRN CN1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000257244923 570121421 /nfs/dbraw/zinc/12/14/21/570121421.db2.gz INIZUOSKYLANMF-RUZDIDTESA-N 0 0 489.613 2.840 40 0 JFABRN O=C(C[C@H]1CN(C(=O)c2ccno2)CC[C@@H]1Oc1cccc(Br)c1)N1CCOCC1 ZINC000257247838 570122611 /nfs/dbraw/zinc/12/26/11/570122611.db2.gz JAUFDUQEADTMHC-YJBOKZPZSA-N 0 0 478.343 2.596 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409088939 570124115 /nfs/dbraw/zinc/12/41/15/570124115.db2.gz LEPUQFPSBVWVCP-FGGAIWKESA-N 0 0 481.574 2.714 40 0 JFABRN COc1ccc([C@H]2CN(C(=O)c3ccccc3OCCN3CCCC3=O)CCN2C(C)=O)cc1 ZINC000257256053 570124925 /nfs/dbraw/zinc/12/49/25/570124925.db2.gz KJXHOBSYRIXECK-HSZRJFAPSA-N 0 0 465.550 2.742 40 0 JFABRN NC(=O)C[C@]1(COc2ccccc2)CCCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000257257578 570125534 /nfs/dbraw/zinc/12/55/34/570125534.db2.gz KQFSVVKZFUFAER-JOCHJYFZSA-N 0 0 480.970 2.837 40 0 JFABRN CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(OCc3ccccn3)c(OC)c2)C1 ZINC000257263007 570127386 /nfs/dbraw/zinc/12/73/86/570127386.db2.gz LNYITWIMUJZFPY-SANMLTNESA-N 0 0 460.534 2.984 40 0 JFABRN COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)c3ccnc(N4CCOCC4)c3)C2)cc1 ZINC000257263992 570127672 /nfs/dbraw/zinc/12/76/72/570127672.db2.gz LSJVNPLZEUZELL-FQEVSTJZSA-N 0 0 474.565 2.986 40 0 JFABRN COc1ccccc1C(=O)N1CC[C@H](Cc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)C1 ZINC000257265806 570128277 /nfs/dbraw/zinc/12/82/77/570128277.db2.gz MAKCDYNLWKWDIX-LJQANCHMSA-N 0 0 490.612 2.717 40 0 JFABRN O=C(C[C@]1(COc2ccccc2)CCCN(S(=O)(=O)c2ccccc2F)C1)N1CCOCC1 ZINC000257276815 570131716 /nfs/dbraw/zinc/13/17/16/570131716.db2.gz NVGCPDNLBKZDGN-XMMPIXPASA-N 0 0 476.570 2.925 40 0 JFABRN CC(=O)NC1(CC(=O)N(C)C[C@]2(O)CCCN(c3ccnc4ccncc43)C2)CCCCC1 ZINC000257278605 570132365 /nfs/dbraw/zinc/13/23/65/570132365.db2.gz OCXJKNPMQWALCD-RUZDIDTESA-N 0 0 453.587 2.649 40 0 JFABRN CN1C(=O)C(=C2c3cc(Br)ccc3N(Cc3ccccc3)C2=O)C(=O)N(C)C1=O ZINC000409111923 570132458 /nfs/dbraw/zinc/13/24/58/570132458.db2.gz AFETYWGIXUBWBR-UHFFFAOYSA-N 0 0 454.280 2.800 40 0 JFABRN O=C(CC1(COc2ccccc2)CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCOCC1 ZINC000257284370 570133940 /nfs/dbraw/zinc/13/39/40/570133940.db2.gz PCKCLHVMKKPNNM-UHFFFAOYSA-N 0 0 476.570 2.925 40 0 JFABRN COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)sc2c1CCCC2 ZINC000409119509 570135357 /nfs/dbraw/zinc/13/53/57/570135357.db2.gz SRRSNZSIWYBPOJ-UHFFFAOYSA-N 0 0 452.554 2.827 40 0 JFABRN CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)[C@]3(C)CC(c4ccccc4OC)=NO3)CC2)n1 ZINC000257289641 570135481 /nfs/dbraw/zinc/13/54/81/570135481.db2.gz PZOKHCVGQFNGTB-VWLOTQADSA-N 0 0 465.554 2.617 40 0 JFABRN CC(=O)N1CCC(C(=O)NC[C@H]2C[C@]3(C)[C@@H](CCCC[C@@H]3O)N2C(=O)OC(C)(C)C)CC1 ZINC000257298825 570138075 /nfs/dbraw/zinc/13/80/75/570138075.db2.gz RNKWDGJKNDBZSU-MTXNFPGFSA-N 0 0 451.608 2.680 40 0 JFABRN CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)C1(c2cc(C)cc(C)c2)CCOCC1 ZINC000257300881 570138792 /nfs/dbraw/zinc/13/87/92/570138792.db2.gz RWAVRGFHLOLJOH-VWLOTQADSA-N 0 0 463.622 2.853 40 0 JFABRN CC(C)C[C@]1(O)CCN(C(=O)Cn2ncc3ccccc3c2=O)C[C@@H]1Oc1ccc(F)cc1 ZINC000257302725 570139164 /nfs/dbraw/zinc/13/91/64/570139164.db2.gz SEBGADPXXFPSEN-WIOPSUGQSA-N 0 0 453.514 2.993 40 0 JFABRN CC(=O)N1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C[C@H]1c1ccccc1 ZINC000257306850 570140409 /nfs/dbraw/zinc/14/04/09/570140409.db2.gz SWGYGXBDULZRKX-DEOSSOPVSA-N 0 0 484.622 2.705 40 0 JFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)[C@@H]3CCC(=O)NC(=O)N3)C2)n1 ZINC000257309528 570141324 /nfs/dbraw/zinc/14/13/24/570141324.db2.gz UBHBWCDZJYEYDA-YJBOKZPZSA-N 0 0 470.961 2.557 40 0 JFABRN COCCN1C(=O)S/C(=C/c2cc(OC)c(OCC(=O)OC)cc2Br)C1=O ZINC000409135280 570142060 /nfs/dbraw/zinc/14/20/60/570142060.db2.gz YATWPICHJWMCGJ-VGOFMYFVSA-N 0 0 460.302 2.692 40 0 JFABRN CNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000257323648 570145666 /nfs/dbraw/zinc/14/56/66/570145666.db2.gz WLGJDGKKYNBDEI-DEOSSOPVSA-N 0 0 467.570 2.986 40 0 JFABRN O=C(CCn1ccnc1)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1 ZINC000257326472 570146429 /nfs/dbraw/zinc/14/64/29/570146429.db2.gz WXIRCWSZYOSZER-UHFFFAOYSA-N 0 0 474.989 2.863 40 0 JFABRN COc1ccc(C2=NO[C@@](C)(C(=O)N3CCC[C@](C(=O)N(C)C)(c4ccccn4)C3)C2)cc1 ZINC000257327674 570146746 /nfs/dbraw/zinc/14/67/46/570146746.db2.gz XCFYOQUFEYCACL-JWQCQUIFSA-N 0 0 450.539 2.622 40 0 JFABRN CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3c(C)nn(Cc4ccccc4)c3C)CCN2C)c1 ZINC000257327607 570146838 /nfs/dbraw/zinc/14/68/38/570146838.db2.gz XCAQTTOQAOUAIZ-DEOSSOPVSA-N 0 0 474.609 2.835 40 0 JFABRN NC(=O)c1ccc2c(ccn2[C@@H]2CN(C(=O)CCc3nc4cc(Cl)ccc4[nH]3)C[C@H]2O)c1 ZINC000257328808 570147055 /nfs/dbraw/zinc/14/70/55/570147055.db2.gz XHEZZQXURPDUTE-WOJBJXKFSA-N 0 0 451.914 2.647 40 0 JFABRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc(OC)c1O ZINC000409146587 570147315 /nfs/dbraw/zinc/14/73/15/570147315.db2.gz UQQIQGLCJUULHA-DEDYPNTBSA-N 0 0 499.545 2.921 40 0 JFABRN O=C(Cn1cc(C=C2SC(=O)NC2=O)c2cc(Br)ccc21)N1CCOCC1 ZINC000409147865 570147918 /nfs/dbraw/zinc/14/79/18/570147918.db2.gz WRIZDLSRKXVEIM-CHHVJCJISA-N 0 0 450.314 2.587 40 0 JFABRN CCn1cc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)c(C)n1 ZINC000257332007 570148097 /nfs/dbraw/zinc/14/80/97/570148097.db2.gz XVIUTFXYGRMAQK-RUZDIDTESA-N 0 0 490.048 2.679 40 0 JFABRN COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2C)cc1 ZINC000409150989 570149132 /nfs/dbraw/zinc/14/91/32/570149132.db2.gz FPGPJMVNEYYPEV-UHFFFAOYSA-N 0 0 469.567 2.730 40 0 JFABRN O=C(C[C@H]1CN(C(=O)c2cnc(C3CC3)nc2)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1 ZINC000257335517 570149133 /nfs/dbraw/zinc/14/91/33/570149133.db2.gz YKMTYTXUYJUENO-AVRDEDQJSA-N 0 0 468.529 2.652 40 0 JFABRN Cc1cc(C(=O)N2CCOC[C@]3(CN(c4ccc(F)cc4)C(=O)O3)C2)nc(N2CCCCC2)n1 ZINC000257336983 570149559 /nfs/dbraw/zinc/14/95/59/570149559.db2.gz YQXFZDAJLSSEBA-XMMPIXPASA-N 0 0 469.517 2.782 40 0 JFABRN COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)cc1 ZINC000409156932 570150856 /nfs/dbraw/zinc/15/08/56/570150856.db2.gz PKFMWOOFDGZYKR-UHFFFAOYSA-N 0 0 457.531 2.861 40 0 JFABRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2C)cc1 ZINC000409162665 570152474 /nfs/dbraw/zinc/15/24/74/570152474.db2.gz GUDZBKNVPXYMPI-ZDUSSCGKSA-N 0 0 460.585 2.649 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@H]3[C@H](C)C(=O)C[C@@H](c5ccco5)N3C(=O)[C@@H]24)c1 ZINC000257361232 570153829 /nfs/dbraw/zinc/15/38/29/570153829.db2.gz NSUJNRIEBKWESB-LJLAMPTHSA-N 0 0 490.512 2.896 40 0 JFABRN C[C@H]1CCCN(c2cc(N3CCc4ccccc4C3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000260708165 570154807 /nfs/dbraw/zinc/15/48/07/570154807.db2.gz DHSZTDARCFYDTQ-FQEVSTJZSA-N 0 0 495.697 2.894 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 ZINC000260727176 570155373 /nfs/dbraw/zinc/15/53/73/570155373.db2.gz INTGJBKRCJCOBJ-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 ZINC000260737329 570155801 /nfs/dbraw/zinc/15/58/01/570155801.db2.gz MDHXISVEDRMNHT-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260744265 570156231 /nfs/dbraw/zinc/15/62/31/570156231.db2.gz OCIKFNPJMNZEEJ-LJQANCHMSA-N 0 0 487.622 2.906 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260764505 570157214 /nfs/dbraw/zinc/15/72/14/570157214.db2.gz UIMAYHIXVGEMMF-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 ZINC000260771694 570157667 /nfs/dbraw/zinc/15/76/67/570157667.db2.gz XAPJFYJIAFHDMJ-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260774449 570157842 /nfs/dbraw/zinc/15/78/42/570157842.db2.gz XIBOEUVAYNPWSU-QGZVFWFLSA-N 0 0 481.565 2.981 40 0 JFABRN COc1ccc(N(CCCC(=O)N[C@H](C)COc2ccccc2OC)S(C)(=O)=O)cc1 ZINC000260810900 570158928 /nfs/dbraw/zinc/15/89/28/570158928.db2.gz LCEWUUBJNGJYCA-QGZVFWFLSA-N 0 0 450.557 2.834 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000260825446 570159328 /nfs/dbraw/zinc/15/93/28/570159328.db2.gz GFILYWWKDUZRSD-XMMPIXPASA-N 0 0 493.585 2.726 40 0 JFABRN CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2c(C)cccc2C)S3(=O)=O)cc1 ZINC000260830715 570159538 /nfs/dbraw/zinc/15/95/38/570159538.db2.gz HBYUFWMJPHJXLT-SBUREZEXSA-N 0 0 458.536 2.793 40 0 JFABRN COc1ccc(OC)c(N([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000260834668 570159759 /nfs/dbraw/zinc/15/97/59/570159759.db2.gz NRFMKHOPCZWRSV-LSDHHAIUSA-N 0 0 464.540 2.507 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccccc3OC)Oc3ccccc32)cc1 ZINC000260848794 570160734 /nfs/dbraw/zinc/16/07/34/570160734.db2.gz QLULYEMIAHFTJQ-XMMPIXPASA-N 0 0 498.557 2.855 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC)S(C)(=O)=O ZINC000260854026 570160947 /nfs/dbraw/zinc/16/09/47/570160947.db2.gz DXJYFAGCWXNQQQ-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260855989 570161048 /nfs/dbraw/zinc/16/10/48/570161048.db2.gz IJRYEQCLAWSGIO-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](CC)C(=O)NC)S(C)(=O)=O ZINC000260855944 570161052 /nfs/dbraw/zinc/16/10/52/570161052.db2.gz GTTSAHHXOZLZFX-HXUWFJFHSA-N 0 0 463.575 2.708 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260864204 570161287 /nfs/dbraw/zinc/16/12/87/570161287.db2.gz ZCKXUEVFWYOHPR-JOCHJYFZSA-N 0 0 459.612 2.877 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260873376 570161308 /nfs/dbraw/zinc/16/13/08/570161308.db2.gz FWEQXIVEQFTKNF-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000260875617 570161332 /nfs/dbraw/zinc/16/13/32/570161332.db2.gz GSCKHUDFWNXNOU-HXUWFJFHSA-N 0 0 489.638 2.693 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(CN4CCOCC4)cc3)C2)cc1 ZINC000260885944 570161560 /nfs/dbraw/zinc/16/15/60/570161560.db2.gz BDZVLUJOUSRWPU-QHCPKHFHSA-N 0 0 471.623 2.544 40 0 JFABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O ZINC000260888324 570161668 /nfs/dbraw/zinc/16/16/68/570161668.db2.gz LOPNRSPLHWCDNP-GOSISDBHSA-N 0 0 480.030 2.952 40 0 JFABRN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)Oc3ccccc32)cc1 ZINC000260888497 570161700 /nfs/dbraw/zinc/16/17/00/570161700.db2.gz BAMMIWQOORMMBZ-HOYKHHGWSA-N 0 0 480.542 2.908 40 0 JFABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O ZINC000260888403 570161704 /nfs/dbraw/zinc/16/17/04/570161704.db2.gz NCPBKPUCSMAHGR-QGZVFWFLSA-N 0 0 496.029 2.652 40 0 JFABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O ZINC000260894952 570162312 /nfs/dbraw/zinc/16/23/12/570162312.db2.gz GTUNXQAHILUXQS-QGZVFWFLSA-N 0 0 496.029 2.652 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260899191 570162547 /nfs/dbraw/zinc/16/25/47/570162547.db2.gz NQRMJWBEEJYTFJ-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(=O)(=O)c2ccccc2)c1 ZINC000260910192 570163347 /nfs/dbraw/zinc/16/33/47/570163347.db2.gz XGFHQBLGXLOZGF-IBGZPJMESA-N 0 0 498.557 2.855 40 0 JFABRN Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NC[C@@H]1COc3ccccc3O1)O2 ZINC000260913006 570163561 /nfs/dbraw/zinc/16/35/61/570163561.db2.gz ZJYAZOGOXNEZNP-HOYKHHGWSA-N 0 0 480.542 2.908 40 0 JFABRN Cc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260913141 570163654 /nfs/dbraw/zinc/16/36/54/570163654.db2.gz YLBAOKNEJGIFDA-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN COc1ccc(OC)c(N([C@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000260922285 570164310 /nfs/dbraw/zinc/16/43/10/570164310.db2.gz GDTKYDXEDCSWRW-QGZVFWFLSA-N 0 0 450.557 2.670 40 0 JFABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000409198720 570164363 /nfs/dbraw/zinc/16/43/63/570164363.db2.gz KFEOJXQIOFMTCO-INIZCTEOSA-N 0 0 450.557 2.518 40 0 JFABRN COc1cccc(N(CCCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000260926580 570164650 /nfs/dbraw/zinc/16/46/50/570164650.db2.gz JBBOTZRDEROEPS-MRXNPFEDSA-N 0 0 468.597 2.522 40 0 JFABRN CCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000260926603 570164653 /nfs/dbraw/zinc/16/46/53/570164653.db2.gz JCEGVOJDZJMXDR-CVEARBPZSA-N 0 0 468.597 2.521 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000260928624 570164941 /nfs/dbraw/zinc/16/49/41/570164941.db2.gz JVBPVQJDOCNKOW-QGZVFWFLSA-N 0 0 482.624 2.912 40 0 JFABRN O=C(CN1C(=O)N/C(=C\c2cc3c(cc2Br)OCO3)C1=O)Nc1ccccc1F ZINC000409201541 570165476 /nfs/dbraw/zinc/16/54/76/570165476.db2.gz MELTYZQCKZPGOU-RZNTYIFUSA-N 0 0 462.231 2.848 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000260939175 570165516 /nfs/dbraw/zinc/16/55/16/570165516.db2.gz QOEWJLGNHZYKKY-HKUYNNGSSA-N 0 0 464.609 2.677 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000261007338 570166674 /nfs/dbraw/zinc/16/66/74/570166674.db2.gz SWJDOKYEZPPIIE-ROUUACIJSA-N 0 0 463.575 2.924 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000261014109 570166808 /nfs/dbraw/zinc/16/68/08/570166808.db2.gz UXMDTHYXKPQLHR-ROUUACIJSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000261038771 570166958 /nfs/dbraw/zinc/16/69/58/570166958.db2.gz YHLPPURWVDKDLF-PMACEKPBSA-N 0 0 459.612 2.827 40 0 JFABRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(I)o1 ZINC000261365790 570169237 /nfs/dbraw/zinc/16/92/37/570169237.db2.gz VGSKSPFQTKXCRP-MRXNPFEDSA-O 0 0 481.295 2.970 40 0 JFABRN Cc1cc(I)cc(C)c1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000409223157 570175102 /nfs/dbraw/zinc/17/51/02/570175102.db2.gz HIMKLCHXVSAXRA-UHFFFAOYSA-N 0 0 470.288 2.691 40 0 JFABRN Cc1ccc(N2CCN(C(=O)c3nc([C@@H]4CCCN(S(C)(=O)=O)C4)n4ccccc34)CC2)cc1 ZINC000306134333 570178364 /nfs/dbraw/zinc/17/83/64/570178364.db2.gz NJILHRKHEOIRIJ-HXUWFJFHSA-N 0 0 481.622 2.744 40 0 JFABRN CCN1C(=O)N/C(=C/c2cc(I)c(OC)c(I)c2)C1=O ZINC000409236887 570180168 /nfs/dbraw/zinc/18/01/68/570180168.db2.gz GOJPXZTYDUYRTF-UXBLZVDNSA-N 0 0 498.058 2.817 40 0 JFABRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(O)cc2Br)C1=O ZINC000409237083 570180212 /nfs/dbraw/zinc/18/02/12/570180212.db2.gz IPGQZUXKZOCCDL-VGOFMYFVSA-N 0 0 476.283 2.703 40 0 JFABRN CC(C)[C@H](CO)Nc1nc(NCCN2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329008088 570181351 /nfs/dbraw/zinc/18/13/51/570181351.db2.gz LOTAECDIAVCQDQ-IBGZPJMESA-N 0 0 469.508 3.215 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1cc(Cl)ccc1Cl ZINC000409262297 570187790 /nfs/dbraw/zinc/18/77/90/570187790.db2.gz GOWHIDGMOJLKHY-UHFFFAOYSA-N 0 0 486.377 2.871 40 0 JFABRN COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3I)C2=O)cc1 ZINC000408549996 570194772 /nfs/dbraw/zinc/19/47/72/570194772.db2.gz CLDXCHVVDXCGLK-YBEGLDIGSA-N 0 0 477.258 2.831 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1OC ZINC000408558679 570199156 /nfs/dbraw/zinc/19/91/56/570199156.db2.gz JYSUCJQVRYCYKO-OAHLLOKOSA-N 0 0 462.524 2.514 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1OC ZINC000408558671 570199170 /nfs/dbraw/zinc/19/91/70/570199170.db2.gz JYSUCJQVRYCYKO-HNNXBMFYSA-N 0 0 462.524 2.514 40 0 JFABRN CN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000408560010 570200107 /nfs/dbraw/zinc/20/01/07/570200107.db2.gz OAYUNXKNVODXHU-UHFFFAOYSA-N 0 0 458.367 2.947 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(OC)c(OC)c3)C2)c1 ZINC000408560854 570200711 /nfs/dbraw/zinc/20/07/11/570200711.db2.gz QJHFLSGDRSICHD-HNNXBMFYSA-N 0 0 464.540 2.760 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000408562076 570201530 /nfs/dbraw/zinc/20/15/30/570201530.db2.gz XQDKIFXCSMXYIK-HXUWFJFHSA-N 0 0 487.622 2.843 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408563108 570202079 /nfs/dbraw/zinc/20/20/79/570202079.db2.gz IPWFJEHFYJCLQG-UHFFFAOYSA-N 0 0 486.421 2.946 40 0 JFABRN O=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)NCc1c(F)cccc1Cl ZINC000408566333 570203708 /nfs/dbraw/zinc/20/37/08/570203708.db2.gz FVUSVRGTPGRNTE-UHFFFAOYSA-N 0 0 457.889 2.792 40 0 JFABRN O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000408576320 570205918 /nfs/dbraw/zinc/20/59/18/570205918.db2.gz GLFWWWMVBQFDPG-GOSISDBHSA-N 0 0 484.984 2.784 40 0 JFABRN CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCN3CCOCC3)CC2=O)cc1 ZINC000408576327 570205929 /nfs/dbraw/zinc/20/59/29/570205929.db2.gz GLLPLFCIBQYCEM-FQEVSTJZSA-N 0 0 494.592 2.529 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2cc(Cl)ccc2Cl)cc1 ZINC000408577276 570206148 /nfs/dbraw/zinc/20/61/48/570206148.db2.gz XVYUHOGYELIXAH-UHFFFAOYSA-N 0 0 486.421 2.946 40 0 JFABRN O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408579127 570206454 /nfs/dbraw/zinc/20/64/54/570206454.db2.gz MWTHZXJIEJPNEA-SFHVURJKSA-N 0 0 484.984 2.784 40 0 JFABRN COC(=O)c1cc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc(C(=O)OC)c1 ZINC000408582593 570207031 /nfs/dbraw/zinc/20/70/31/570207031.db2.gz DLXZMCWTECCOFN-UHFFFAOYSA-N 0 0 476.551 2.765 40 0 JFABRN C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000408583400 570207272 /nfs/dbraw/zinc/20/72/72/570207272.db2.gz ZPYAIZBZDNLESL-ZIAGYGMSSA-N 0 0 480.348 2.861 40 0 JFABRN C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000408583398 570207302 /nfs/dbraw/zinc/20/73/02/570207302.db2.gz ZPYAIZBZDNLESL-UONOGXRCSA-N 0 0 480.348 2.861 40 0 JFABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000408583987 570207411 /nfs/dbraw/zinc/20/74/11/570207411.db2.gz LBUJQJNZCOJIGL-UHFFFAOYSA-N 0 0 463.512 2.934 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc(C(=O)OC)c1 ZINC000408584974 570207836 /nfs/dbraw/zinc/20/78/36/570207836.db2.gz XHVSGLAIRIVOTR-JTQLQIEISA-N 0 0 489.333 2.872 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C ZINC000408590028 570208914 /nfs/dbraw/zinc/20/89/14/570208914.db2.gz GSFSXGAPFYAOBG-UHFFFAOYSA-N 0 0 492.550 2.601 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000408590013 570208960 /nfs/dbraw/zinc/20/89/60/570208960.db2.gz IPWSCIBUSCJBNC-HNNXBMFYSA-N 0 0 466.943 2.794 40 0 JFABRN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)c(Cl)c1)c1ccccc1 ZINC000408591728 570209323 /nfs/dbraw/zinc/20/93/23/570209323.db2.gz KAKMBCNWKJVJPG-SFHVURJKSA-N 0 0 496.029 2.597 40 0 JFABRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408592145 570209352 /nfs/dbraw/zinc/20/93/52/570209352.db2.gz KFTHULXRXLZQPH-MOTZXUDYSA-N 0 0 492.439 2.974 40 0 JFABRN O=C(NCCCn1ccnc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000408592438 570209490 /nfs/dbraw/zinc/20/94/90/570209490.db2.gz KLFRFJLSILSXSF-HXUWFJFHSA-N 0 0 491.411 2.742 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCCOC)cc2)cc1 ZINC000408592908 570209602 /nfs/dbraw/zinc/20/96/02/570209602.db2.gz PBMSMYZJLMXTHG-UHFFFAOYSA-N 0 0 464.540 2.586 40 0 JFABRN C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000013827607 290717471 /nfs/dbraw/zinc/71/74/71/290717471.db2.gz UPEZCKBFRMILAV-URDBJVLMSA-N 0 0 464.643 2.739 40 0 biogenic,in-vitro JFABRN COc1c2c(c(C)c3c1C[C@H]1[C@@]4(C)CC[C@]5(OC)O[C@]6(C)CO[C@](O)(C[C@]1(C)O3)[C@@]64O5)COC2=O ZINC000036378990 291486170 /nfs/dbraw/zinc/48/61/70/291486170.db2.gz UEVWVMGTABEFID-VAQHHFECSA-N 0 0 488.533 2.751 40 0 biogenic,in-vitro JFABRN O=C(COc1ccccc1)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 ZINC000225428048 291489464 /nfs/dbraw/zinc/48/94/64/291489464.db2.gz AGOZLDXIDYEWFV-UHFFFAOYSA-N 0 0 493.633 2.749 40 0 biogenic,in-vitro JFABRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)N2CCCCCC2)c(OC)c1 ZINC000000828115 193920081 /nfs/dbraw/zinc/92/00/81/193920081.db2.gz PHYOHUXOLWDRAD-OAQYLSRUSA-N 0 0 461.584 2.833 40 0 JFABRN CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000879255 193941550 /nfs/dbraw/zinc/94/15/50/193941550.db2.gz OHFLJLYXQCVGNN-UHFFFAOYSA-N 0 0 463.629 2.900 40 0 JFABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 ZINC000000883749 193945215 /nfs/dbraw/zinc/94/52/15/193945215.db2.gz APNFYXCQUWJYBP-UHFFFAOYSA-N 0 0 487.607 2.542 40 0 JFABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000000913872 193963218 /nfs/dbraw/zinc/96/32/18/193963218.db2.gz VVFOXNGFPREJRC-LJQANCHMSA-N 0 0 470.547 2.993 40 0 JFABRN O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000000933790 193984798 /nfs/dbraw/zinc/98/47/98/193984798.db2.gz MBGBWQNKOVQACC-INIZCTEOSA-N 0 0 456.611 2.559 40 0 JFABRN Cc1cccc(C)c1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000001222955 194075060 /nfs/dbraw/zinc/07/50/60/194075060.db2.gz ATVSAFQXSHXEED-UHFFFAOYSA-N 0 0 481.553 2.969 40 0 JFABRN COc1ccc(CCN(Cc2ccco2)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1OC ZINC000001325475 194086567 /nfs/dbraw/zinc/08/65/67/194086567.db2.gz XZAHBEPNCWPZKG-UHFFFAOYSA-N 0 0 499.549 2.715 40 0 JFABRN C[C@H]1CCc2c(sc3ncnc(N4CCN(S(=O)(=O)c5cccc6nonc65)CC4)c23)C1 ZINC000001372061 194105946 /nfs/dbraw/zinc/10/59/46/194105946.db2.gz RLMSQLNNQDGQAT-ZDUSSCGKSA-N 0 0 470.580 2.863 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001373581 194107482 /nfs/dbraw/zinc/10/74/82/194107482.db2.gz VHJQYENFOJDHAY-UHFFFAOYSA-N 0 0 476.537 2.597 40 0 JFABRN Cn1c2nc(SCC(=O)NC3CCCCC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000001361030 194102274 /nfs/dbraw/zinc/10/22/74/194102274.db2.gz JAQDRJXQODWECP-UHFFFAOYSA-N 0 0 476.002 2.676 40 0 JFABRN CCOC(=O)C1=C2c3ccccc3N[C@@H]2N(C(=O)OCC)N(C(=O)OCC)[C@H]1C(=O)OCC ZINC000001709037 194131832 /nfs/dbraw/zinc/13/18/32/194131832.db2.gz UYHFUNJCLNLAEO-QZTJIDSGSA-N 0 0 461.471 2.532 40 0 JFABRN COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccccc4)CO[C@H]23)c1 ZINC000003841718 194363571 /nfs/dbraw/zinc/36/35/71/194363571.db2.gz RYIUHXHSXGSWKQ-WJFTUGDTSA-N 0 0 457.508 2.543 40 0 biogenic,in-vitro JFABRN O=C(Nc1ccccc1F)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N(c1cccnc1)[C@@H]3C(=O)NC1CCCCC1 ZINC000004093086 194377095 /nfs/dbraw/zinc/37/70/95/194377095.db2.gz QPDUKYBTNFQFEO-YWZYQIPGSA-N 0 0 490.535 2.963 40 0 JFABRN CCOc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n(C)c(=O)n4C)n3C(C)C)sc2c1 ZINC000004103590 194378148 /nfs/dbraw/zinc/37/81/48/194378148.db2.gz UTLBAAZFGNDVIP-UHFFFAOYSA-N 0 0 488.595 2.754 40 0 JFABRN CC(C)NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C[C@@H]1CCCO1 ZINC000004410112 194389275 /nfs/dbraw/zinc/38/92/75/194389275.db2.gz SCTWHCCATXAQIK-SFHVURJKSA-N 0 0 493.655 2.525 40 0 JFABRN COCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccc(OC)c1 ZINC000004410220 194389285 /nfs/dbraw/zinc/38/92/85/194389285.db2.gz IEEZHJASHVRCMW-QHCPKHFHSA-N 0 0 471.554 2.683 40 0 JFABRN COc1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](n4nnnc4SCc4ccco4)CO[C@H]23)c1 ZINC000004259328 194386422 /nfs/dbraw/zinc/38/64/22/194386422.db2.gz ZRBBMUOENUSIFA-BSDSXHPESA-N 0 0 459.484 2.523 40 0 biogenic,in-vitro JFABRN CCOC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](n4nnnc4SC4CCCC4)CO[C@H]23)c1 ZINC000004259390 194386520 /nfs/dbraw/zinc/38/65/20/194386520.db2.gz OWSJKYPOHVLBFE-WJFTUGDTSA-N 0 0 489.554 2.841 40 0 biogenic,in-vitro JFABRN COc1ccccc1N(C(=O)CNS(=O)(=O)c1ccccc1)[C@@H](C(=O)NCc1ccco1)C(C)C ZINC000004354825 194388079 /nfs/dbraw/zinc/38/80/79/194388079.db2.gz KGXFBVRBCDGFHV-XMMPIXPASA-N 0 0 499.589 2.941 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1cccc(OC)c1OC ZINC000004354909 194388307 /nfs/dbraw/zinc/38/83/07/194388307.db2.gz TUALTBBNKOKQIN-DEOSSOPVSA-N 0 0 495.580 2.724 40 0 JFABRN CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4F)n3)cc2)CC1 ZINC000004374547 194388600 /nfs/dbraw/zinc/38/86/00/194388600.db2.gz JVDYQVDVPIQLTK-UHFFFAOYSA-N 0 0 458.519 2.539 40 0 JFABRN CC(C)[C@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000004388825 194388880 /nfs/dbraw/zinc/38/88/80/194388880.db2.gz RUVCSDIPXINFSD-NZQKXSOJSA-N 0 0 497.633 2.585 40 0 JFABRN CC(C)[C@@H](C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000004388826 194388913 /nfs/dbraw/zinc/38/89/13/194388913.db2.gz RUVCSDIPXINFSD-OFNKIYASSA-N 0 0 497.633 2.585 40 0 JFABRN COc1ccc(CC(=O)Nc2ccc(=O)n3c2[C@@H]2C[C@@H](CN(S(=O)(=O)c4ccccc4)C2)C3)cc1 ZINC000005437977 194406341 /nfs/dbraw/zinc/40/63/41/194406341.db2.gz DSEWUTOFLFIOHR-VQTJNVASSA-N 0 0 493.585 2.846 40 0 biogenic,in-vitro JFABRN CC(=O)OC[C@H]1O[C@@H](c2cccc3c2c2ccccc2n3S(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O ZINC000005760712 194407280 /nfs/dbraw/zinc/40/72/80/194407280.db2.gz JUURWDHVEPLGIB-VZVHPENPSA-N 0 0 481.526 2.756 40 0 JFABRN CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000006600047 194432621 /nfs/dbraw/zinc/43/26/21/194432621.db2.gz GWCBKWVBGSMOER-IBGZPJMESA-N 0 0 491.589 2.632 40 0 JFABRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2c(OC)cccc2OC)CC1 ZINC000008831681 194484140 /nfs/dbraw/zinc/48/41/40/194484140.db2.gz SBBYJJLAKBAJHC-UHFFFAOYSA-N 0 0 456.568 2.889 40 0 JFABRN COc1ccc(CNC(=O)CN(Cc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000008994784 194499314 /nfs/dbraw/zinc/49/93/14/194499314.db2.gz ILQPMTNGSCCZFZ-UHFFFAOYSA-N 0 0 450.495 2.747 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2)Nc1ccccn1 ZINC000008995015 194499842 /nfs/dbraw/zinc/49/98/42/194499842.db2.gz STAYDZUZRNQCKI-UHFFFAOYSA-N 0 0 452.511 2.664 40 0 JFABRN COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1OC ZINC000009142232 194564795 /nfs/dbraw/zinc/56/47/95/194564795.db2.gz AZVNDZHWPOYYKG-UHFFFAOYSA-N 0 0 468.564 2.983 40 0 JFABRN Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc5c(c4)OCCO5)cc3)nn12 ZINC000009142339 194565151 /nfs/dbraw/zinc/56/51/51/194565151.db2.gz QEWRURFOQNYVEK-UHFFFAOYSA-N 0 0 466.548 2.737 40 0 JFABRN CCCCCCn1c(C)cn2c1nc1c2c(=O)n(CC(=O)OCc2ccccc2)c(=O)n1C ZINC000009149706 194566468 /nfs/dbraw/zinc/56/64/68/194566468.db2.gz CJAGCQKXWFOZRK-UHFFFAOYSA-N 0 0 451.527 2.782 40 0 JFABRN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)=C2)cc1OC ZINC000009290127 194666316 /nfs/dbraw/zinc/66/63/16/194666316.db2.gz VCWBHFBQKHUVMG-HJPURHCSSA-N 0 0 461.584 2.994 40 0 JFABRN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000009690632 194894054 /nfs/dbraw/zinc/89/40/54/194894054.db2.gz IDYGGKCVVGYQHB-ACJLOTCBSA-N 0 0 463.943 2.974 40 0 JFABRN COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000009887607 195014977 /nfs/dbraw/zinc/01/49/77/195014977.db2.gz KVKAITDKKZUTOW-UHFFFAOYSA-N 0 0 466.531 2.569 40 0 JFABRN COc1cc(OC)cc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NC3CCCC3)n2)c1 ZINC000012638847 195069163 /nfs/dbraw/zinc/06/91/63/195069163.db2.gz CPWNZIDXJGZMGA-UHFFFAOYSA-N 0 0 450.499 2.668 40 0 JFABRN O=C(NC1CCCC1)C(=O)N(Cc1ccco1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012640848 195070444 /nfs/dbraw/zinc/07/04/44/195070444.db2.gz MMBKEGRJHZHNBI-IFMALSPDSA-N 0 0 471.529 2.843 40 0 JFABRN O=C(NC1CCCC1)C(=O)N(Cc1ccco1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000012640872 195070488 /nfs/dbraw/zinc/07/04/88/195070488.db2.gz PZZPLVXZBLGQCZ-IFMALSPDSA-N 0 0 453.539 2.704 40 0 JFABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)C(=O)NC2CCCCC2)C(C)C)cc1 ZINC000012641460 195071178 /nfs/dbraw/zinc/07/11/78/195071178.db2.gz LNTAYERLMQLRJC-FGZHOGPDSA-N 0 0 459.587 2.717 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(CCO)[C@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1 ZINC000012702286 195091977 /nfs/dbraw/zinc/09/19/77/195091977.db2.gz IAKWCNSSDFNQPR-NRFANRHFSA-N 0 0 486.960 2.516 40 0 JFABRN O=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)c(Cl)c1)NC[C@@H]1CCCO1 ZINC000012705985 195092796 /nfs/dbraw/zinc/09/27/96/195092796.db2.gz JGAFDFGIQRUEFT-KRWDZBQOSA-N 0 0 490.898 2.600 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N ZINC000012711173 195095258 /nfs/dbraw/zinc/09/52/58/195095258.db2.gz CQBKQTNTHHFVDQ-KSSFIOAISA-N 0 0 485.591 2.569 40 0 JFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000012711197 195095360 /nfs/dbraw/zinc/09/53/60/195095360.db2.gz AENZJKNOHRVWQO-LIRRHRJNSA-N 0 0 499.618 2.877 40 0 JFABRN O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012881235 195168633 /nfs/dbraw/zinc/16/86/33/195168633.db2.gz LPCMEHKNJPDXEL-UHFFFAOYSA-N 0 0 452.536 2.724 40 0 JFABRN COc1ccc(CCNC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(CCc5c[nH]c6ccccc56)C(=O)[C@H]24)O3)cc1 ZINC000012891846 195173248 /nfs/dbraw/zinc/17/32/48/195173248.db2.gz SULYAKFLJLBQCZ-YKKMPQLRSA-N 0 0 471.557 2.860 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000020802422 195227389 /nfs/dbraw/zinc/22/73/89/195227389.db2.gz IUNFUUPAJJPORP-RTWAWAEBSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cc(OC)ccc1OC ZINC000020802490 195227646 /nfs/dbraw/zinc/22/76/46/195227646.db2.gz ZIKZPVDNJTUTMS-RTWAWAEBSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(OC)cc1OC ZINC000020802467 195227703 /nfs/dbraw/zinc/22/77/03/195227703.db2.gz SUCCVHHQJNYQIB-RTWAWAEBSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000020802502 195227767 /nfs/dbraw/zinc/22/77/67/195227767.db2.gz VNWLMACCFMIOPO-UXHICEINSA-N 0 0 469.494 2.521 40 0 JFABRN COCCCn1c2nnc(SCC(=O)Nc3cc(C(C)C)no3)n2c2ccccc2c1=O ZINC000021326529 195294585 /nfs/dbraw/zinc/29/45/85/195294585.db2.gz RMTQEXOUXARISF-UHFFFAOYSA-N 0 0 456.528 2.923 40 0 JFABRN Cc1cc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)c(=O)[nH]c2cc1C ZINC000057589936 195351667 /nfs/dbraw/zinc/35/16/67/195351667.db2.gz OCSAPAGHQVEJIV-QHCPKHFHSA-N 0 0 462.529 2.865 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3c(C)cc(C)cc3[nH]c2=O)N2CCC(O)CC2)cc1 ZINC000057589903 195351683 /nfs/dbraw/zinc/35/16/83/195351683.db2.gz YVSVHXBRBIOFNF-XMMPIXPASA-N 0 0 474.565 2.734 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000057589911 195351799 /nfs/dbraw/zinc/35/17/99/195351799.db2.gz UUOMRKLIGCPSKJ-XXBNENTESA-N 0 0 494.596 2.675 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000057595175 195352333 /nfs/dbraw/zinc/35/23/33/195352333.db2.gz UJSUGGAGGPORSN-NRFANRHFSA-N 0 0 496.568 2.753 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000057595167 195352374 /nfs/dbraw/zinc/35/23/74/195352374.db2.gz UJSUGGAGGPORSN-OAQYLSRUSA-N 0 0 496.568 2.753 40 0 JFABRN Cc1cccc2cc(CN(Cc3nnnn3C[C@H]3CCCO3)Cc3ccc4c(c3)OCO4)c(=O)[nH]c12 ZINC000057607256 195352603 /nfs/dbraw/zinc/35/26/03/195352603.db2.gz SZXFFAZTISHYLG-OAQYLSRUSA-N 0 0 488.548 2.933 40 0 JFABRN COc1ccc(CN(Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000057607840 195353045 /nfs/dbraw/zinc/35/30/45/195353045.db2.gz PEQQEULLXPMFRA-QHCPKHFHSA-N 0 0 490.564 2.913 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057642937 195356649 /nfs/dbraw/zinc/35/66/49/195356649.db2.gz JIZHESLUTPHXFJ-UHFFFAOYSA-N 0 0 460.538 2.897 40 0 JFABRN CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CCc1nn(C)c(=O)c2ccccc12 ZINC000057730759 195358891 /nfs/dbraw/zinc/35/88/91/195358891.db2.gz BYFSISZJHGDLHF-MRXNPFEDSA-N 0 0 463.563 2.746 40 0 JFABRN O=C(/C=C/c1ccc2c(c1)OCCO2)NC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)C1CC1 ZINC000058213592 195373788 /nfs/dbraw/zinc/37/37/88/195373788.db2.gz LXNFLCLENKPICO-VRKTZJIVSA-N 0 0 476.529 2.967 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224839108 195465080 /nfs/dbraw/zinc/46/50/80/195465080.db2.gz SGWIOQDWHUOYPM-AHRSYUTCSA-N 0 0 459.974 2.925 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)s1 ZINC000224853629 195468092 /nfs/dbraw/zinc/46/80/92/195468092.db2.gz ACXOSHWCMQHQFI-UHFFFAOYSA-N 0 0 478.577 2.637 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224874214 195472143 /nfs/dbraw/zinc/47/21/43/195472143.db2.gz HZYFFSVXNXNJBE-KRWDZBQOSA-N 0 0 489.569 2.694 40 0 JFABRN CCN1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000408635375 195484477 /nfs/dbraw/zinc/48/44/77/195484477.db2.gz AGGIKZYJDZEZMK-UHFFFAOYSA-N 0 0 466.003 2.704 40 0 JFABRN CS(=O)(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ccccc1O2 ZINC000096111762 129958875 /nfs/dbraw/zinc/95/88/75/129958875.db2.gz FBBSNSRYKKPBGM-RDJZCZTQSA-N 0 0 456.442 2.913 40 0 biogenic,in-vitro JFABRN CC(=O)[C@@H]1C[C@H](CC(=O)N[C@@H](O)C(Br)(Br)Br)C1(C)C ZINC000016138963 518209466 /nfs/dbraw/zinc/20/94/66/518209466.db2.gz ACVOQMCJYKGONO-WEDXCCLWSA-N 0 0 463.992 2.901 40 0 JFABRN CC(=O)c1cc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc2c1OCO2 ZINC000013572869 518290138 /nfs/dbraw/zinc/29/01/38/518290138.db2.gz LDAMYPAOQXIIIH-LSDHHAIUSA-N 0 0 485.587 2.856 40 0 JFABRN CC(C)(C)NC(=O)CSc1nnc(-c2ccc(NS(C)(=O)=O)cc2)n1Cc1ccco1 ZINC000006074367 518736605 /nfs/dbraw/zinc/73/66/05/518736605.db2.gz ZCDPJKGEHLEDSJ-UHFFFAOYSA-N 0 0 463.585 2.965 40 0 JFABRN CC(=O)Nc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)cc1 ZINC000013505824 519720705 /nfs/dbraw/zinc/72/07/05/519720705.db2.gz MDPYSJYYCVILDK-UHFFFAOYSA-N 0 0 455.515 2.752 40 0 JFABRN CC(=O)Nc1ccc(S(=O)(=O)NCCSc2nnc3c4cc(C)ccc4[nH]c3n2)cc1 ZINC000012475786 519731212 /nfs/dbraw/zinc/73/12/12/519731212.db2.gz ULUYBKCBNNIJDQ-UHFFFAOYSA-N 0 0 456.553 2.844 40 0 JFABRN CC(C)OCCCn1c2nn(CC(=O)NCc3ccccc3Cl)c(=O)n2c2ccccc2c1=O ZINC000035462578 519765142 /nfs/dbraw/zinc/76/51/42/519765142.db2.gz AYFWBIVAYJRKQD-UHFFFAOYSA-N 0 0 483.956 2.596 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCCOc2ccc(S(=O)(=O)NCCC)cc2)cc1 ZINC000004769283 519982376 /nfs/dbraw/zinc/98/23/76/519982376.db2.gz YSFDZRZLWMCFFN-UHFFFAOYSA-N 0 0 456.586 2.521 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000016678228 519982931 /nfs/dbraw/zinc/98/29/31/519982931.db2.gz KDRLRDUWQPRGQH-UHFFFAOYSA-N 0 0 451.976 2.756 40 0 JFABRN CCCCCCSC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000008665866 520108549 /nfs/dbraw/zinc/10/85/49/520108549.db2.gz QWAPZLBVSLSCGX-MBDNFAEBSA-N 0 0 492.587 2.590 40 0 JFABRN CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1 ZINC000004093083 520296326 /nfs/dbraw/zinc/29/63/26/520296326.db2.gz DMQWQJFJDXNMBJ-UHFFFAOYSA-N 0 0 451.614 2.946 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000033409616 520480933 /nfs/dbraw/zinc/48/09/33/520480933.db2.gz NQHQRDFLGWCIIU-YMFQVDJJSA-N 0 0 480.542 2.521 40 0 JFABRN CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@]12c1ccccc1NC2=O ZINC000016779514 520532022 /nfs/dbraw/zinc/53/20/22/520532022.db2.gz LYVKZBQTDUPCPZ-AREMUKBSSA-N 0 0 457.486 2.569 40 0 JFABRN CCC[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCC1 ZINC000013503065 520592869 /nfs/dbraw/zinc/59/28/69/520592869.db2.gz TYKDAURZXZQOJA-NRFANRHFSA-N 0 0 479.574 2.953 40 0 JFABRN CCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1 ZINC000027408333 520745965 /nfs/dbraw/zinc/74/59/65/520745965.db2.gz PLVWMBFPIAQRHK-FGZHOGPDSA-N 0 0 482.581 2.893 40 0 in-vitro JFABRN CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N3)CC1 ZINC000022610077 521047567 /nfs/dbraw/zinc/04/75/67/521047567.db2.gz ZZXJHPISLQKZSL-CQSZACIVSA-N 0 0 460.332 2.833 40 0 JFABRN CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)CC(=O)N3)CC1 ZINC000022610205 521048782 /nfs/dbraw/zinc/04/87/82/521048782.db2.gz KRNTZOHKFDHQCY-CQSZACIVSA-N 0 0 465.432 2.969 40 0 JFABRN CCC[C@]1(C(=O)OC)N[C@@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000012498358 521304248 /nfs/dbraw/zinc/30/42/48/521304248.db2.gz QDNNJANLDZUYRT-MSZDEVHKSA-N 0 0 496.516 2.595 40 0 JFABRN CCOC(=O)c1cc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)ccc1Cl ZINC000020039019 521438546 /nfs/dbraw/zinc/43/85/46/521438546.db2.gz DOPFHFWYDBGKRX-UHFFFAOYSA-N 0 0 468.915 2.693 40 0 JFABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000020493719 521471512 /nfs/dbraw/zinc/47/15/12/521471512.db2.gz SFRQZMXXSAHXRW-GOSISDBHSA-N 0 0 452.916 2.991 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c(C)c1 ZINC000013670272 521494180 /nfs/dbraw/zinc/49/41/80/521494180.db2.gz LMWGPBNSHJSAHO-UHFFFAOYSA-N 0 0 450.513 2.594 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c(Cl)c1 ZINC000044842647 521513411 /nfs/dbraw/zinc/51/34/11/521513411.db2.gz CJBKBMKGIZUYJL-UHFFFAOYSA-N 0 0 482.942 2.799 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016188042 521898548 /nfs/dbraw/zinc/89/85/48/521898548.db2.gz FXFHGGBQVIWIER-UHFFFAOYSA-N 0 0 472.519 2.903 40 0 JFABRN COc1cc(/C=c2\sc3n(c2=O)[C@@H]2c4ccccc4O[C@](C)(N=3)[C@H]2C(C)=O)ccc1OC(F)F ZINC000016740708 522012538 /nfs/dbraw/zinc/01/25/38/522012538.db2.gz ALLPJLCWFDWYQA-WRKGSLOCSA-N 0 0 486.496 2.885 40 0 JFABRN COCCn1nnnc1[C@@H](c1ccc(O)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013496446 522155007 /nfs/dbraw/zinc/15/50/07/522155007.db2.gz OWYCVNPJLCNPIL-HXUWFJFHSA-N 0 0 451.556 2.546 40 0 JFABRN COC(=O)c1ccccc1NC(=S)N(CCCO)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000006136428 522285439 /nfs/dbraw/zinc/28/54/39/522285439.db2.gz MUPSMQTUTVYAGL-UHFFFAOYSA-N 0 0 485.562 2.913 40 0 JFABRN COc1cc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)ccc1OC(C)C ZINC000020244373 522410728 /nfs/dbraw/zinc/41/07/28/522410728.db2.gz SDPNPAJBRHSOCP-UHFFFAOYSA-N 0 0 453.536 2.551 40 0 JFABRN COc1cc(NC(=S)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccco3)n2)cc(OC)c1 ZINC000005398683 522736398 /nfs/dbraw/zinc/73/63/98/522736398.db2.gz BPAYIEVEUDTLQF-FMWKFLBASA-N 0 0 483.550 2.687 40 0 biogenic,in-vitro JFABRN COC[C@H]1CCCN1C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467254 522834986 /nfs/dbraw/zinc/83/49/86/522834986.db2.gz DBMMYSPHIVYAFT-VRARWHCYSA-N 0 0 472.630 2.672 40 0 biogenic,in-vitro JFABRN COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3ccc(C(C)=O)cc3)[nH]c2=O)cc1 ZINC000022720585 523249110 /nfs/dbraw/zinc/24/91/10/523249110.db2.gz FCHVEKPXHXEMAY-UHFFFAOYSA-N 0 0 450.480 2.834 40 0 JFABRN COc1ccc(C(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CC[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000020463406 523659912 /nfs/dbraw/zinc/65/99/12/523659912.db2.gz DWYRTDPVPVCKLK-VXKWHMMOSA-N 0 0 466.582 2.856 40 0 biogenic,in-vitro JFABRN COCCN1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]2C1=O ZINC000013654537 523806872 /nfs/dbraw/zinc/80/68/72/523806872.db2.gz KGIUARDSEPWGMX-PLACYPQZSA-N 0 0 451.910 2.810 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(I)cc1 ZINC000016291348 523845808 /nfs/dbraw/zinc/84/58/08/523845808.db2.gz DFPVDCINRATJJB-UHFFFAOYSA-N 0 0 474.320 2.867 40 0 JFABRN COCCNC(=O)C[C@@H]1c2nc(NC(=O)C(C)(C)C)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C ZINC000004222362 523899947 /nfs/dbraw/zinc/89/99/47/523899947.db2.gz HSSKWUOWYAJLPU-MDFKHGOCSA-N 0 0 481.659 2.696 40 0 biogenic,in-vitro JFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(OC)c1OC ZINC000020106398 524045974 /nfs/dbraw/zinc/04/59/74/524045974.db2.gz OBLPKIBEIJKJSS-UHFFFAOYSA-N 0 0 462.568 2.571 40 0 JFABRN COc1ccc(CNC(=O)[C@H](c2ccco2)N(CCCO)C(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000012472221 524064237 /nfs/dbraw/zinc/06/42/37/524064237.db2.gz JIKOQGNHPOEKPD-ZEQRLZLVSA-N 0 0 480.517 2.697 40 0 JFABRN Cc1ccc(C)c(Cn2nnc3c2nc([C@@H]2CCCN(S(=O)(=O)c4ccccc4)C2)[nH]c3=O)c1 ZINC000006161853 524113461 /nfs/dbraw/zinc/11/34/61/524113461.db2.gz SXZHHLCYIYUHCX-GOSISDBHSA-N 0 0 478.578 2.748 40 0 JFABRN COc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)c(OC)c1 ZINC000004356172 524358412 /nfs/dbraw/zinc/35/84/12/524358412.db2.gz WDPKGADBRBIENA-UHFFFAOYSA-N 0 0 458.515 2.811 40 0 JFABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccco1 ZINC000004356245 524523808 /nfs/dbraw/zinc/52/38/08/524523808.db2.gz JXXGCRJADXYTNC-IBGZPJMESA-N 0 0 485.566 2.976 40 0 JFABRN COc1ccccc1OCCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1 ZINC000095116454 524679357 /nfs/dbraw/zinc/67/93/57/524679357.db2.gz KNPONHRZPVWKAP-UHFFFAOYSA-N 0 0 452.492 2.793 40 0 JFABRN Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2=O)cc1 ZINC000022721010 524695472 /nfs/dbraw/zinc/69/54/72/524695472.db2.gz AFMIZXGRHVXYMB-UHFFFAOYSA-N 0 0 464.507 2.626 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000016187662 525000053 /nfs/dbraw/zinc/00/00/53/525000053.db2.gz XODVCMXFFPMOKV-UHFFFAOYSA-N 0 0 471.501 2.683 40 0 JFABRN COc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C[C@@H]2CCCO2)cc1 ZINC000006239913 525016355 /nfs/dbraw/zinc/01/63/55/525016355.db2.gz KRZPHLAMZRYMBM-SFHVURJKSA-N 0 0 472.519 2.635 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1-n1ccnc1C ZINC000044839318 525023223 /nfs/dbraw/zinc/02/32/23/525023223.db2.gz LTROURABFBLHQZ-UHFFFAOYSA-N 0 0 454.552 2.904 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccccc1-n1ccnc1 ZINC000022525761 525025016 /nfs/dbraw/zinc/02/50/16/525025016.db2.gz PSIDCAAGCCWKDI-UHFFFAOYSA-N 0 0 454.552 2.986 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)C2)cc1 ZINC000006161908 525030052 /nfs/dbraw/zinc/03/00/52/525030052.db2.gz RRROEPPWOUXIQU-MRXNPFEDSA-N 0 0 498.540 2.691 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2)cc1C(=O)N1CCCCC1 ZINC000044948605 525067592 /nfs/dbraw/zinc/06/75/92/525067592.db2.gz LUCBWOLYHYZHOM-UHFFFAOYSA-N 0 0 454.552 2.986 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1cccc(C(F)(F)F)c1 ZINC000044850490 525152612 /nfs/dbraw/zinc/15/26/12/525152612.db2.gz VSLZWLYNXKSKSM-UHFFFAOYSA-N 0 0 452.458 2.974 40 0 JFABRN C[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857184 525273860 /nfs/dbraw/zinc/27/38/60/525273860.db2.gz BICHILFMOTZUJG-VFNWGFHPSA-N 0 0 494.635 2.792 40 0 JFABRN C[C@]1(N2CCOCC2)COc2c(I)cc(I)cc2C1=O ZINC000016578184 525288741 /nfs/dbraw/zinc/28/87/41/525288741.db2.gz LUBBJIBMXZYITG-AWEZNQCLSA-N 0 0 499.086 2.562 40 0 JFABRN COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC ZINC000044885155 525312832 /nfs/dbraw/zinc/31/28/32/525312832.db2.gz QEMALYDYEWVJRU-AWEZNQCLSA-N 0 0 468.959 2.869 40 0 JFABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 ZINC000022518079 525352133 /nfs/dbraw/zinc/35/21/33/525352133.db2.gz NHUIBHRKQAZJOH-IEBWSBKVSA-N 0 0 458.584 2.635 40 0 JFABRN CSCC[C@@H](C(=O)N1CCOCC1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004180367 525520890 /nfs/dbraw/zinc/52/08/90/525520890.db2.gz YBBVPROTJAXFJH-JNVBVNAASA-N 0 0 476.598 2.859 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)C2)cc1 ZINC000006161904 525532250 /nfs/dbraw/zinc/53/22/50/525532250.db2.gz GHBNIOGEQWTQHC-QGZVFWFLSA-N 0 0 482.541 2.991 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000012480916 526028737 /nfs/dbraw/zinc/02/87/37/526028737.db2.gz BMCIVXBELNOOEO-QGZVFWFLSA-N 0 0 450.518 2.955 40 0 JFABRN C[C@H](C(=O)NCc1ccccn1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cnccn3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466949 526088135 /nfs/dbraw/zinc/08/81/35/526088135.db2.gz AYDKLVIMJUGXBS-WRDAWAIASA-N 0 0 465.598 2.746 40 0 biogenic,in-vitro JFABRN C[C@H](C(=O)NCc1ccco1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467239 526089056 /nfs/dbraw/zinc/08/90/56/526089056.db2.gz BRODIQDILIETNE-VKJOOLBJSA-N 0 0 454.571 2.944 40 0 biogenic,in-vitro JFABRN O=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000022532539 526289514 /nfs/dbraw/zinc/28/95/14/526289514.db2.gz SAMQUFOALVVRFZ-UHFFFAOYSA-N 0 0 459.399 2.938 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2)Nc1ccccn1 ZINC000004092184 526375470 /nfs/dbraw/zinc/37/54/70/526375470.db2.gz QYBJUDXCUNXGBH-UHFFFAOYSA-N 0 0 452.511 2.617 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccco1)Nc1nccs1 ZINC000013502008 526376895 /nfs/dbraw/zinc/37/68/95/526376895.db2.gz RSVPNOGNCPTFNS-UHFFFAOYSA-N 0 0 470.507 2.529 40 0 JFABRN O=C(CN(Cc1ccccc1F)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCC1 ZINC000012480246 526700205 /nfs/dbraw/zinc/70/02/05/526700205.db2.gz SJXFOEMCLFJIFC-UHFFFAOYSA-N 0 0 454.481 2.706 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000016450903 526964023 /nfs/dbraw/zinc/96/40/23/526964023.db2.gz OTIOHPQIJVOZFQ-RMKNXTFCSA-N 0 0 469.607 2.708 40 0 JFABRN Cn1c(Sc2nc3ccccc3n2Cc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C ZINC000016363825 527089212 /nfs/dbraw/zinc/08/92/12/527089212.db2.gz VJYZZUYNTGBRQF-UHFFFAOYSA-N 0 0 450.499 2.659 40 0 JFABRN O=S(=O)(NC[C@@H](NNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000016758546 527222273 /nfs/dbraw/zinc/22/22/73/527222273.db2.gz NNAOUALLCCYASS-HXUWFJFHSA-N 0 0 465.984 2.843 40 0 JFABRN O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000008636240 527229011 /nfs/dbraw/zinc/22/90/11/527229011.db2.gz NCDDLSOVGYODMT-JAXLGGSGSA-N 0 0 460.669 2.559 40 0 biogenic,in-vitro JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014828743 527254047 /nfs/dbraw/zinc/25/40/47/527254047.db2.gz PLCKZYLITWSDPN-UHFFFAOYSA-N 0 0 477.608 2.511 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014829123 527254237 /nfs/dbraw/zinc/25/42/37/527254237.db2.gz ARFDXAJYSIGCLE-UHFFFAOYSA-N 0 0 463.581 2.508 40 0 JFABRN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)c1ccc2c(c1)OCO2 ZINC000067896752 527259118 /nfs/dbraw/zinc/25/91/18/527259118.db2.gz CTBNJVDZLOOUSV-HYBUGGRVSA-N 0 0 461.474 2.524 40 0 biogenic,in-vitro JFABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000006161790 527284860 /nfs/dbraw/zinc/28/48/60/527284860.db2.gz RHHYHBDXSULMFO-UHFFFAOYSA-N 0 0 486.504 2.822 40 0 JFABRN O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccccc1 ZINC000006161941 527287857 /nfs/dbraw/zinc/28/78/57/527287857.db2.gz SMVVBLBIFSEKDC-QGZVFWFLSA-N 0 0 450.524 2.544 40 0 JFABRN O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)nc2c1nnn2Cc1ccccc1 ZINC000006161938 527289565 /nfs/dbraw/zinc/28/95/65/527289565.db2.gz ZOEIGZHGCYJNRR-INIZCTEOSA-N 0 0 468.514 2.683 40 0 JFABRN NS(=O)(=O)c1ccc(CNC(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000027973246 527313863 /nfs/dbraw/zinc/31/38/63/527313863.db2.gz DIJNSAQJGAFAEU-UHFFFAOYSA-N 0 0 454.430 2.516 40 0 JFABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000044901870 527408755 /nfs/dbraw/zinc/40/87/55/527408755.db2.gz ACBULTJXBGUESH-UHFFFAOYSA-N 0 0 471.579 2.727 40 0 JFABRN O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc5c(c4)OCO5)n3)CO[C@H]12 ZINC000005433641 527514032 /nfs/dbraw/zinc/51/40/32/527514032.db2.gz MFSIVFNWQSFOIO-ZHNGQKSSSA-N 0 0 468.510 2.878 40 0 biogenic,in-vitro JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000670496 553744817 /nfs/dbraw/zinc/74/48/17/553744817.db2.gz MCOOKEDXHWJNJZ-FNGUVFISSA-N 0 0 452.507 2.946 40 0 JFABRN C[C@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000000798852 553783373 /nfs/dbraw/zinc/78/33/73/553783373.db2.gz NGSUUHWXZYUUOK-AWEZNQCLSA-N 0 0 476.002 2.629 40 0 JFABRN COc1cc2cc(CN(C[C@H]3CCCO3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1OC ZINC000000895637 553831918 /nfs/dbraw/zinc/83/19/18/553831918.db2.gz ZJRKYMMBMGNYHK-ZWKOTPCHSA-N 0 0 461.584 2.580 40 0 JFABRN COc1ccc(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1 ZINC000000901088 553834764 /nfs/dbraw/zinc/83/47/64/553834764.db2.gz GCVYZHGAXLCENR-UHFFFAOYSA-N 0 0 475.548 2.741 40 0 JFABRN COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)c(=O)oc21 ZINC000000902035 553835320 /nfs/dbraw/zinc/83/53/20/553835320.db2.gz NPFAVBUVROMOFY-MRXNPFEDSA-N 0 0 458.492 2.511 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1 ZINC000000909222 553840997 /nfs/dbraw/zinc/84/09/97/553840997.db2.gz APPWBISHLAOUHF-REWPJTCUSA-N 0 0 494.596 2.675 40 0 JFABRN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(N(C)C)cc1 ZINC000000922136 553855831 /nfs/dbraw/zinc/85/58/31/553855831.db2.gz LDQHIZGQDNSSNW-UHFFFAOYSA-N 0 0 463.571 2.797 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000925845 553862192 /nfs/dbraw/zinc/86/21/92/553862192.db2.gz SDQXZPPGCSKMEG-UHFFFAOYSA-N 0 0 464.501 2.728 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000926239 553862304 /nfs/dbraw/zinc/86/23/04/553862304.db2.gz UVLZPXIVSQJKGT-UHFFFAOYSA-N 0 0 460.538 2.631 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000927063 553863897 /nfs/dbraw/zinc/86/38/97/553863897.db2.gz OHSABUXIZNZYKE-UHFFFAOYSA-N 0 0 490.564 2.906 40 0 JFABRN CCC(C)(C)n1nnnc1CN(CCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000927107 553863900 /nfs/dbraw/zinc/86/39/00/553863900.db2.gz UZSAQZDLZCAJBB-UHFFFAOYSA-N 0 0 467.618 2.611 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000927476 553864241 /nfs/dbraw/zinc/86/42/41/553864241.db2.gz JBXCHFLSHYEKPF-UHFFFAOYSA-N 0 0 474.565 2.939 40 0 JFABRN Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000931284 553869498 /nfs/dbraw/zinc/86/94/98/553869498.db2.gz OFDGWGMCYNMSHE-UHFFFAOYSA-N 0 0 463.629 2.808 40 0 JFABRN COc1ccccc1CN(Cc1ccco1)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1 ZINC000000934183 553872526 /nfs/dbraw/zinc/87/25/26/553872526.db2.gz HNHSFUNDUPSSOA-UHFFFAOYSA-N 0 0 455.496 2.664 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000001062107 553903392 /nfs/dbraw/zinc/90/33/92/553903392.db2.gz OYGJAVOFBMWGNO-AFHVAHMMSA-N 0 0 482.533 2.955 40 0 JFABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1 ZINC000001840354 553994801 /nfs/dbraw/zinc/99/48/01/553994801.db2.gz SCZAJVWGZDBRJW-UHFFFAOYSA-N 0 0 476.624 2.684 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1cccs1 ZINC000002697562 554292829 /nfs/dbraw/zinc/29/28/29/554292829.db2.gz PNANHSFSNKRTSS-QMJOVRGKSA-N 0 0 456.545 2.574 40 0 JFABRN CC(C)C(=O)OC[C@H]1O[C@@H](n2cnc3c2nc[nH]c3=S)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C ZINC000004895989 554482867 /nfs/dbraw/zinc/48/28/67/554482867.db2.gz GCIQCTFDWHVXEW-FVQSIRDASA-N 0 0 494.570 2.721 40 0 JFABRN CN(C)c1ccc(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3cccc(F)c3)n2)cc1 ZINC000005399914 554490353 /nfs/dbraw/zinc/49/03/53/554490353.db2.gz QGSMOGGIBYNNHX-MYDTUXCISA-N 0 0 463.513 2.725 40 0 biogenic,in-vitro JFABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000006089845 554504018 /nfs/dbraw/zinc/50/40/18/554504018.db2.gz YWTVRSCRIMPBMX-LJQANCHMSA-N 0 0 496.593 2.921 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3ccccc3)n2)cc1OC ZINC000006133968 554505624 /nfs/dbraw/zinc/50/56/24/554505624.db2.gz TUGRGVANEAMSGH-UHFFFAOYSA-N 0 0 480.569 2.548 40 0 JFABRN COc1ccc(CNC(=O)CN(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)cc1 ZINC000006190789 554516800 /nfs/dbraw/zinc/51/68/00/554516800.db2.gz QNHGYPKTKYZNEU-UHFFFAOYSA-N 0 0 481.578 2.919 40 0 JFABRN COCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006239048 554520619 /nfs/dbraw/zinc/52/06/19/554520619.db2.gz LHCHNDRRFNDOBB-UHFFFAOYSA-N 0 0 469.519 2.509 40 0 JFABRN COCCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006238952 554520737 /nfs/dbraw/zinc/52/07/37/554520737.db2.gz WRSBESCQYZMHFG-UHFFFAOYSA-N 0 0 497.573 2.941 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)N2CCCCC2)cc1 ZINC000006239827 554521034 /nfs/dbraw/zinc/52/10/34/554521034.db2.gz SSIWZSDBTYHQQF-HSZRJFAPSA-N 0 0 474.521 2.876 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3ccc(Br)cc3)cc2c1 ZINC000006282511 554525617 /nfs/dbraw/zinc/52/56/17/554525617.db2.gz SRBGLKHTMPCNEH-UHFFFAOYSA-N 0 0 481.368 2.873 40 0 JFABRN Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C ZINC000006444998 554539207 /nfs/dbraw/zinc/53/92/07/554539207.db2.gz DELSPCMCSGKWRT-UHFFFAOYSA-N 0 0 465.560 2.892 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CCCCC1)OCCO3 ZINC000006446647 554541015 /nfs/dbraw/zinc/54/10/15/554541015.db2.gz YKHFZQNZNHVKOJ-QHCPKHFHSA-N 0 0 458.522 2.909 40 0 JFABRN CCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006500960 554547239 /nfs/dbraw/zinc/54/72/39/554547239.db2.gz ASKVFINENBGVCB-ZDUSSCGKSA-N 0 0 477.587 2.572 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000006545087 554549418 /nfs/dbraw/zinc/54/94/18/554549418.db2.gz ACJHALFTFXKSAP-JCAJYURWSA-N 0 0 498.582 2.794 40 0 JFABRN CC(=O)N[C@H](Cc1cc(C)ccc1C)C(=O)N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000006551287 554551023 /nfs/dbraw/zinc/55/10/23/554551023.db2.gz VMHJKRUTYXDXMP-XMMPIXPASA-N 0 0 464.566 2.930 40 0 JFABRN CCOc1ccc(N(CC(=O)NC(C)(C)C)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000006600886 554555667 /nfs/dbraw/zinc/55/56/67/554555667.db2.gz PFQCBRRAOSXZRK-UHFFFAOYSA-N 0 0 496.568 2.704 40 0 JFABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NCc2ccccc2)cc1 ZINC000006600939 554555725 /nfs/dbraw/zinc/55/57/25/554555725.db2.gz GBPJEYNSXONSKU-AWEZNQCLSA-N 0 0 467.551 2.575 40 0 JFABRN CCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006631360 554556650 /nfs/dbraw/zinc/55/66/50/554556650.db2.gz VPGDOZSJAXVSFF-UHFFFAOYSA-N 0 0 454.506 2.826 40 0 JFABRN CCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006631364 554556692 /nfs/dbraw/zinc/55/66/92/554556692.db2.gz IYYULTNEWPFHAT-UHFFFAOYSA-N 0 0 466.517 2.970 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(OC)cc1 ZINC000006631666 554556846 /nfs/dbraw/zinc/55/68/46/554556846.db2.gz ZLRPVZDJUANOTP-SFHVURJKSA-N 0 0 454.531 2.977 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc(-c2ccc(C)o2)n1 ZINC000006632142 554557339 /nfs/dbraw/zinc/55/73/39/554557339.db2.gz HTJWXCJFWYSQEN-LJQANCHMSA-N 0 0 468.558 2.972 40 0 JFABRN CC[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc2c(c1)OCCO2 ZINC000006821061 554558265 /nfs/dbraw/zinc/55/82/65/554558265.db2.gz RUFXKQSVRYCLEC-LJQANCHMSA-N 0 0 494.552 2.883 40 0 JFABRN CC1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000008751241 554653142 /nfs/dbraw/zinc/65/31/42/554653142.db2.gz QLIAYYPNQCCFJM-HRAATJIYSA-N 0 0 452.515 2.656 40 0 JFABRN Cc1cccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c12 ZINC000008772694 554672572 /nfs/dbraw/zinc/67/25/72/554672572.db2.gz VMMKRTVHDQWXBI-UHFFFAOYSA-N 0 0 453.591 2.715 40 0 JFABRN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)CC1 ZINC000008810903 554691669 /nfs/dbraw/zinc/69/16/69/554691669.db2.gz UKQGJNWJYXGYSB-UHFFFAOYSA-N 0 0 453.467 2.680 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1OC ZINC000008828658 554719260 /nfs/dbraw/zinc/71/92/60/554719260.db2.gz KGVYSHUXILVREC-HXUWFJFHSA-N 0 0 488.972 2.781 40 0 JFABRN O=Cc1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2 ZINC000008892761 554780964 /nfs/dbraw/zinc/78/09/64/554780964.db2.gz PYKZPRSISQTBHD-UHFFFAOYSA-N 0 0 476.522 2.795 40 0 JFABRN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@]21C(=O)Nc2c1cccc2C ZINC000009011834 554864537 /nfs/dbraw/zinc/86/45/37/554864537.db2.gz ORYPYSWFPIWMNC-FWKGOSRRSA-N 0 0 479.558 2.891 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000009136475 554932693 /nfs/dbraw/zinc/93/26/93/554932693.db2.gz KEXUDVIVFQKOSM-PZDOZLBDSA-N 0 0 480.542 2.521 40 0 JFABRN COc1ccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000009287117 555060579 /nfs/dbraw/zinc/06/05/79/555060579.db2.gz JQSHZOMNBQLGGM-UHFFFAOYSA-N 0 0 461.474 2.817 40 0 JFABRN CCC[C@@H](C(=O)NC(C)(C)CC)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013150995 555357754 /nfs/dbraw/zinc/35/77/54/555357754.db2.gz SCGMTFSIUKYEIQ-QUCCMNQESA-N 0 0 485.622 2.585 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495484 555407703 /nfs/dbraw/zinc/40/77/03/555407703.db2.gz OFKDRUABGYQCHL-FPOVZHCZSA-N 0 0 468.558 2.518 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495511 555408065 /nfs/dbraw/zinc/40/80/65/555408065.db2.gz JFRDHOVHFIKLKJ-SFTDATJTSA-N 0 0 482.585 2.827 40 0 JFABRN COCCn1nnnc1[C@H](C(C)C)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013498817 555425190 /nfs/dbraw/zinc/42/51/90/555425190.db2.gz SJHMUAFOOCZKPX-QHCPKHFHSA-N 0 0 494.552 2.925 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)cc1 ZINC000009700497 555427070 /nfs/dbraw/zinc/42/70/70/555427070.db2.gz DTJBEXVVJKYLIX-UHFFFAOYSA-N 0 0 482.489 2.681 40 0 JFABRN COc1ccc2cc(CN(C[C@H]3COCCO3)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2c1 ZINC000013499232 555429542 /nfs/dbraw/zinc/42/95/42/555429542.db2.gz HDFRWQGXMRPGIG-SFHVURJKSA-N 0 0 478.954 2.796 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCO)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500534 555441076 /nfs/dbraw/zinc/44/10/76/555441076.db2.gz XNJGPBGVSYVDLU-QFIPXVFZSA-N 0 0 466.542 2.746 40 0 JFABRN O=C(Cn1nnc2ccccc21)N(C[C@@H]1CCCO1)[C@H](C(=O)NCc1ccco1)c1ccco1 ZINC000013502434 555455152 /nfs/dbraw/zinc/45/51/52/555455152.db2.gz GAOUSDYBDHKYRX-MBSDFSHPSA-N 0 0 463.494 2.683 40 0 JFABRN CCC[C@H](C(=O)NC[C@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1cccc(F)c1 ZINC000013502833 555457612 /nfs/dbraw/zinc/45/76/12/555457612.db2.gz SVAFHWMACRYMCS-IFMALSPDSA-N 0 0 491.585 2.601 40 0 JFABRN CCC[C@@H](C(=O)NC(C)(C)C)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503191 555459898 /nfs/dbraw/zinc/45/98/98/555459898.db2.gz UVGGJBUAGSHHLR-HKUYNNGSSA-N 0 0 488.050 2.709 40 0 JFABRN CC(C)[C@@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013503341 555460638 /nfs/dbraw/zinc/46/06/38/555460638.db2.gz MPMWTVZIFXSMJR-DEOSSOPVSA-N 0 0 483.590 2.928 40 0 JFABRN COc1ccccc1N1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000013504383 555463634 /nfs/dbraw/zinc/46/36/34/555463634.db2.gz WSKDNJLBIMJHDQ-NZQKXSOJSA-N 0 0 452.534 2.911 40 0 JFABRN COc1ccc(OC)c([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3F)CC2)c1 ZINC000013504552 555464110 /nfs/dbraw/zinc/46/41/10/555464110.db2.gz MSDWHBTYQJRGIL-NTKDMRAZSA-N 0 0 482.560 2.920 40 0 JFABRN COc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(C(=O)c3ccco3)CC2)cc1OC ZINC000013505337 555466078 /nfs/dbraw/zinc/46/60/78/555466078.db2.gz QACZNFIYRHXJDO-JOCHJYFZSA-N 0 0 494.577 2.941 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(C[C@@H]2CCCO2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)no1 ZINC000013505832 555468295 /nfs/dbraw/zinc/46/82/95/555468295.db2.gz BPHBXBBOURPMFT-WATLYSKOSA-N 0 0 498.580 2.746 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013506261 555470625 /nfs/dbraw/zinc/47/06/25/555470625.db2.gz HHRGQVHIHGYBQW-JOCHJYFZSA-N 0 0 489.569 2.809 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013506871 555474399 /nfs/dbraw/zinc/47/43/99/555474399.db2.gz SKBXZCYLDNDZOW-HSZRJFAPSA-N 0 0 469.538 2.510 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013508292 555478373 /nfs/dbraw/zinc/47/83/73/555478373.db2.gz ADYVLXREWGBUNQ-QHCPKHFHSA-N 0 0 465.485 2.696 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC ZINC000013508349 555478431 /nfs/dbraw/zinc/47/84/31/555478431.db2.gz NDYNPXPSZBLLQE-XMMPIXPASA-N 0 0 477.521 2.878 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(C)o1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013508391 555478639 /nfs/dbraw/zinc/47/86/39/555478639.db2.gz OJCBPHFBVZWKJD-JOCHJYFZSA-N 0 0 467.551 2.927 40 0 JFABRN COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013508462 555478859 /nfs/dbraw/zinc/47/88/59/555478859.db2.gz IVNHSJKHFMBKHB-QFIPXVFZSA-N 0 0 451.458 2.701 40 0 JFABRN COCCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013508515 555478885 /nfs/dbraw/zinc/47/88/85/555478885.db2.gz JLGKSZUGATTXRP-JOCHJYFZSA-N 0 0 451.458 2.701 40 0 JFABRN COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013508774 555479562 /nfs/dbraw/zinc/47/95/62/555479562.db2.gz XENDOFVZUJHFQQ-AREMUKBSSA-N 0 0 487.560 2.973 40 0 JFABRN COCCNC(=O)[C@@H](c1ccccc1F)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013509083 555480346 /nfs/dbraw/zinc/48/03/46/555480346.db2.gz XUSXHBZLHCKHGU-HSZRJFAPSA-N 0 0 465.485 2.696 40 0 JFABRN COCCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013509244 555480823 /nfs/dbraw/zinc/48/08/23/555480823.db2.gz NQEJLQFZQJFWOG-QHCPKHFHSA-N 0 0 462.485 2.503 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCCO)[C@H](C)c3nnnn3Cc3ccco3)cc2c1 ZINC000013510400 555482300 /nfs/dbraw/zinc/48/23/00/555482300.db2.gz KSPRDNGPZBOPDW-MRXNPFEDSA-N 0 0 452.515 2.500 40 0 JFABRN O=C(CSc1nc(-c2ccccc2)nc2c1cnn2-c1ccccc1)Nc1c[nH]c(=O)[nH]c1=O ZINC000013561687 555494794 /nfs/dbraw/zinc/49/47/94/555494794.db2.gz NOYKTYRWPXEHCN-UHFFFAOYSA-N 0 0 471.502 2.590 40 0 JFABRN O=c1[nH]c(NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc2c1CCCC2 ZINC000013564762 555499804 /nfs/dbraw/zinc/49/98/04/555499804.db2.gz BTNNABAMNLCDQX-UHFFFAOYSA-N 0 0 456.490 2.933 40 0 JFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncoc3-c3ccc(F)cc3)CC2)cc1 ZINC000013565387 555501488 /nfs/dbraw/zinc/50/14/88/555501488.db2.gz DEJPYSKOLYOFAO-UHFFFAOYSA-N 0 0 472.498 2.586 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2ncoc2-c2cccc(F)c2)CC1 ZINC000013565425 555501745 /nfs/dbraw/zinc/50/17/45/555501745.db2.gz CWHRHNCPHFTRLG-UHFFFAOYSA-N 0 0 459.499 2.944 40 0 JFABRN CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000013565576 555502231 /nfs/dbraw/zinc/50/22/31/555502231.db2.gz OHAZKRKNPJXRCE-XMMPIXPASA-N 0 0 479.602 2.857 40 0 JFABRN COc1cc2c(cc1OC)n(CC(=O)NCc1ccccc1)c1c2nc2n(c1=O)CCS2 ZINC000013568144 555506241 /nfs/dbraw/zinc/50/62/41/555506241.db2.gz OJBWYHJSCIJOPZ-UHFFFAOYSA-N 0 0 450.520 2.791 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000019856391 555515363 /nfs/dbraw/zinc/51/53/63/555515363.db2.gz UKYFLRADFYRLNR-UHFFFAOYSA-N 0 0 454.504 2.936 40 0 JFABRN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000019856433 555515677 /nfs/dbraw/zinc/51/56/77/555515677.db2.gz MDYQHAXDNRBAIR-UHFFFAOYSA-N 0 0 479.624 2.964 40 0 JFABRN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 ZINC000013580756 555519228 /nfs/dbraw/zinc/51/92/28/555519228.db2.gz ZCQJBHWEXGEPEI-AWEZNQCLSA-N 0 0 450.488 2.660 40 0 JFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3OC)CC2)ccc1OC ZINC000013581457 555519551 /nfs/dbraw/zinc/51/95/51/555519551.db2.gz WVJMUWGCOJQOBM-UHFFFAOYSA-N 0 0 461.584 2.697 40 0 JFABRN COc1cc(C(=O)Nc2ccc(I)cc2)c(N(C)S(C)(=O)=O)cc1OC ZINC000013582600 555520220 /nfs/dbraw/zinc/52/02/20/555520220.db2.gz AKFKTTKMZYVAKV-UHFFFAOYSA-N 0 0 490.319 2.957 40 0 JFABRN O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000009831468 555533703 /nfs/dbraw/zinc/53/37/03/555533703.db2.gz NYIYJALKMRDHGN-SFHVURJKSA-N 0 0 465.941 2.974 40 0 JFABRN CCN(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929953 555547113 /nfs/dbraw/zinc/54/71/13/555547113.db2.gz LZZBSSNITLSEGD-UHFFFAOYSA-N 0 0 459.612 2.980 40 0 JFABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000019933924 555551251 /nfs/dbraw/zinc/55/12/51/555551251.db2.gz MRVWFJNQJXUZQF-KRWDZBQOSA-N 0 0 459.568 2.629 40 0 JFABRN COc1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)CC1 ZINC000019935424 555552572 /nfs/dbraw/zinc/55/25/72/555552572.db2.gz PIAXYQHTTBPVKW-UHFFFAOYSA-N 0 0 494.013 2.861 40 0 JFABRN COc1ccc([C@H](CC(=O)NCCCn2ccnc2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936262 555554041 /nfs/dbraw/zinc/55/40/41/555554041.db2.gz SNCZFIUNXPFKGF-QFIPXVFZSA-N 0 0 456.568 2.850 40 0 JFABRN COc1ccc(C(=O)N(CCCN2CCOCC2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1OC ZINC000019941076 555559739 /nfs/dbraw/zinc/55/97/39/555559739.db2.gz FCQWSLHBROSHGI-XMMPIXPASA-N 0 0 498.624 2.919 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 ZINC000013670824 555561743 /nfs/dbraw/zinc/56/17/43/555561743.db2.gz VHVSLSQJAIQCPR-UHFFFAOYSA-N 0 0 456.561 2.659 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013675156 555566322 /nfs/dbraw/zinc/56/63/22/555566322.db2.gz NLHLEPXSFOROFS-UHFFFAOYSA-N 0 0 450.944 2.947 40 0 JFABRN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)ccc1OC ZINC000013677314 555568064 /nfs/dbraw/zinc/56/80/64/555568064.db2.gz HERYAUMNVPMXLQ-UHFFFAOYSA-N 0 0 489.575 2.965 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)cc1Cl ZINC000013680122 555572324 /nfs/dbraw/zinc/57/23/24/555572324.db2.gz SOCASMSIFGEOMM-HNNXBMFYSA-N 0 0 492.985 2.940 40 0 JFABRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000009972649 555572310 /nfs/dbraw/zinc/57/23/10/555572310.db2.gz IYXMJBQCOZVONN-UHFFFAOYSA-N 0 0 477.901 2.810 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000019972823 555574588 /nfs/dbraw/zinc/57/45/88/555574588.db2.gz CMFCZORUDVKQHL-VWLOTQADSA-N 0 0 487.608 2.998 40 0 JFABRN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)ccc1OC ZINC000013682258 555575667 /nfs/dbraw/zinc/57/56/67/555575667.db2.gz XDYIXFBDECYQPW-UHFFFAOYSA-N 0 0 489.575 2.965 40 0 JFABRN Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2 ZINC000019974082 555576277 /nfs/dbraw/zinc/57/62/77/555576277.db2.gz VVJITEIVIIYPTC-JTQLQIEISA-N 0 0 470.839 2.632 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)cc1C ZINC000009974580 555579658 /nfs/dbraw/zinc/57/96/58/555579658.db2.gz QSTPQLUMTLVOTC-IBGZPJMESA-N 0 0 475.586 2.892 40 0 JFABRN O=C(NCc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008102 555582687 /nfs/dbraw/zinc/58/26/87/555582687.db2.gz PWJFGXFTYGOJAD-HXUWFJFHSA-N 0 0 456.495 2.760 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000020009485 555584863 /nfs/dbraw/zinc/58/48/63/555584863.db2.gz XLSYCVYOJGWIKB-LJQANCHMSA-N 0 0 459.955 2.950 40 0 JFABRN CCOCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009856 555585975 /nfs/dbraw/zinc/58/59/75/555585975.db2.gz JIWBAPURXNGVIJ-SFHVURJKSA-N 0 0 454.976 2.781 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1OC ZINC000020013043 555589217 /nfs/dbraw/zinc/58/92/17/555589217.db2.gz KUIYTAKHKXNQOL-ZDUSSCGKSA-N 0 0 471.373 2.964 40 0 JFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712693 555590330 /nfs/dbraw/zinc/59/03/30/555590330.db2.gz JMRAVUCCVTULJL-FQEVSTJZSA-N 0 0 479.986 2.996 40 0 JFABRN CC[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713502 555590793 /nfs/dbraw/zinc/59/07/93/555590793.db2.gz BWFVYYJUTGQEAG-NRFANRHFSA-N 0 0 473.595 2.613 40 0 JFABRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713779 555591502 /nfs/dbraw/zinc/59/15/02/555591502.db2.gz WNGJDVLQBBDLEP-NRFANRHFSA-N 0 0 479.624 2.963 40 0 JFABRN CC[C@H](C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715865 555593249 /nfs/dbraw/zinc/59/32/49/555593249.db2.gz GYCCIQNHFJFRKD-GOSISDBHSA-N 0 0 466.487 2.582 40 0 JFABRN CC[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715870 555593345 /nfs/dbraw/zinc/59/33/45/555593345.db2.gz VQLRDBAAQHXKPJ-KRWDZBQOSA-N 0 0 468.503 2.813 40 0 JFABRN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1OC ZINC000020017693 555593324 /nfs/dbraw/zinc/59/33/24/555593324.db2.gz RJNQJJYHYUBVGP-INIZCTEOSA-N 0 0 466.531 2.569 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)CC2)c1 ZINC000020018062 555593896 /nfs/dbraw/zinc/59/38/96/555593896.db2.gz NKNUDLUDHDSNOB-MRXNPFEDSA-N 0 0 492.594 2.999 40 0 JFABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1OC ZINC000020019403 555595476 /nfs/dbraw/zinc/59/54/76/555595476.db2.gz WOHFOCGIMYVHRO-UHFFFAOYSA-N 0 0 470.547 2.878 40 0 JFABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Br)c1 ZINC000020020632 555597615 /nfs/dbraw/zinc/59/76/15/555597615.db2.gz HIFZOYYGLYSAAM-HNNXBMFYSA-N 0 0 483.384 2.726 40 0 JFABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000020025004 555602869 /nfs/dbraw/zinc/60/28/69/555602869.db2.gz IIXVADQPGMOLRP-HNNXBMFYSA-N 0 0 450.582 2.929 40 0 JFABRN Cc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000010041812 555606444 /nfs/dbraw/zinc/60/64/44/555606444.db2.gz DYUFRONZSBZKHE-SANMLTNESA-N 0 0 494.569 2.865 40 0 JFABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020036585 555610948 /nfs/dbraw/zinc/61/09/48/555610948.db2.gz SQBCWIYVLJJPMG-UHFFFAOYSA-N 0 0 459.568 2.629 40 0 JFABRN CCOc1ccccc1CCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000010110934 555621492 /nfs/dbraw/zinc/62/14/92/555621492.db2.gz IMYPLTCNXQQKFE-UHFFFAOYSA-N 0 0 450.557 2.618 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010128729 555634422 /nfs/dbraw/zinc/63/44/22/555634422.db2.gz FTABHRZICLXEPX-FQEVSTJZSA-N 0 0 493.994 2.516 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1N1CCCC1=O ZINC000020104152 555636218 /nfs/dbraw/zinc/63/62/18/555636218.db2.gz PDPXQYLGBNJVTG-WEVVVXLNSA-N 0 0 455.580 2.842 40 0 JFABRN O=C(C[C@H]1C(=O)NCCN1C(=O)c1cccc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000010153058 555637392 /nfs/dbraw/zinc/63/73/92/555637392.db2.gz UTRNDPNGSFYLGS-DEOSSOPVSA-N 0 0 456.546 2.519 40 0 JFABRN O=C(NCc1ccc(-n2ccnc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000020104789 555637367 /nfs/dbraw/zinc/63/73/67/555637367.db2.gz AQBRNKSIQQIAHX-UHFFFAOYSA-N 0 0 456.543 2.870 40 0 JFABRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000010157524 555638552 /nfs/dbraw/zinc/63/85/52/555638552.db2.gz XKNMFHHDWSQDOX-LEWJYISDSA-N 0 0 470.957 2.877 40 0 JFABRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(O)cc2)N[C@@]3(CCSC)C(=O)OC)cc1 ZINC000020150716 555666935 /nfs/dbraw/zinc/66/69/35/555666935.db2.gz CJNJMFNRNBHDNJ-UPUUWEMXSA-N 0 0 484.574 2.906 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)c1ccc2c(c1)OCO2 ZINC000010282533 555672907 /nfs/dbraw/zinc/67/29/07/555672907.db2.gz XJHRMTNMMOESLP-UHFFFAOYSA-N 0 0 454.545 2.760 40 0 JFABRN COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC ZINC000010287819 555673848 /nfs/dbraw/zinc/67/38/48/555673848.db2.gz BHSYMHGZGQSQGY-XYOKQWHBSA-N 0 0 460.552 2.567 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000010323827 555683155 /nfs/dbraw/zinc/68/31/55/555683155.db2.gz SIDMEMSEWJIPMT-UHFFFAOYSA-N 0 0 479.549 2.723 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000010541952 555725179 /nfs/dbraw/zinc/72/51/79/555725179.db2.gz CCKCHUSMPPMOJH-UHFFFAOYSA-N 0 0 490.578 2.619 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000020236915 555730756 /nfs/dbraw/zinc/73/07/56/555730756.db2.gz UPLRSBDMWRTOHC-UHFFFAOYSA-N 0 0 486.015 2.919 40 0 JFABRN CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O ZINC000020236848 555730813 /nfs/dbraw/zinc/73/08/13/555730813.db2.gz MUOGMXVMMBSTII-UHFFFAOYSA-N 0 0 479.624 2.828 40 0 JFABRN COc1ccc(N(CC(=O)NCCSCc2ccc(C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000020237061 555731040 /nfs/dbraw/zinc/73/10/40/555731040.db2.gz XGHZYAGTXLOTQV-UHFFFAOYSA-N 0 0 452.598 2.828 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000010788162 555740353 /nfs/dbraw/zinc/74/03/53/555740353.db2.gz BCTSXTKRKMYIGP-LJQANCHMSA-N 0 0 454.479 2.896 40 0 JFABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020245261 555741298 /nfs/dbraw/zinc/74/12/98/555741298.db2.gz QEEQXBULWXNZLN-HNNXBMFYSA-N 0 0 450.536 2.606 40 0 JFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)CC1 ZINC000020245758 555741473 /nfs/dbraw/zinc/74/14/73/555741473.db2.gz PRZWQTDKUGVYBN-UHFFFAOYSA-N 0 0 450.992 2.853 40 0 JFABRN Cc1ccc(Cn2c3c(n4c(-c5c(F)cccc5Cl)nnc24)n(C)c(=O)n(C)c3=O)cc1 ZINC000010968819 555750144 /nfs/dbraw/zinc/75/01/44/555750144.db2.gz YOCYQGISBAGLQP-UHFFFAOYSA-N 0 0 452.877 2.898 40 0 JFABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000014271083 555764939 /nfs/dbraw/zinc/76/49/39/555764939.db2.gz SLUPZKMKBNQKNX-UHFFFAOYSA-N 0 0 458.359 2.622 40 0 JFABRN Cc1cc(Br)c(NC(=O)C(=S)N2CCC(C(N)=O)CC2)c(Br)c1 ZINC000020344333 555778130 /nfs/dbraw/zinc/77/81/30/555778130.db2.gz ABUULGHFVUWZSQ-UHFFFAOYSA-N 0 0 463.195 2.983 40 0 JFABRN COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000011412907 555778614 /nfs/dbraw/zinc/77/86/14/555778614.db2.gz RYYKHRBNNOJVSR-UHFFFAOYSA-N 0 0 450.495 2.751 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)c1ccc2c(c1)OCO2 ZINC000014397840 555803623 /nfs/dbraw/zinc/80/36/23/555803623.db2.gz DGCRDXRHAPUXKP-UHFFFAOYSA-N 0 0 480.564 2.937 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000014397910 555803658 /nfs/dbraw/zinc/80/36/58/555803658.db2.gz LOOSRCJXLFHRBK-UHFFFAOYSA-N 0 0 466.487 2.584 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)ccc1Cl ZINC000014412277 555811431 /nfs/dbraw/zinc/81/14/31/555811431.db2.gz KUKIBZXCTOHTFB-UHFFFAOYSA-N 0 0 456.904 2.549 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000014413270 555812609 /nfs/dbraw/zinc/81/26/09/555812609.db2.gz KAZULPLQANKYMM-UHFFFAOYSA-N 0 0 468.915 2.626 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000014587128 555835610 /nfs/dbraw/zinc/83/56/10/555835610.db2.gz DXAQCYBDKZXNKB-UHFFFAOYSA-N 0 0 476.551 2.838 40 0 JFABRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc3nsnc3c2)CC1 ZINC000021595745 555853920 /nfs/dbraw/zinc/85/39/20/555853920.db2.gz HWSVSQNRMZWMPY-UHFFFAOYSA-N 0 0 454.581 2.877 40 0 JFABRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197148 555883769 /nfs/dbraw/zinc/88/37/69/555883769.db2.gz DCRNDGTWKGFSDZ-MRXNPFEDSA-N 0 0 450.582 2.756 40 0 JFABRN CCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000022227853 555886794 /nfs/dbraw/zinc/88/67/94/555886794.db2.gz LAJLROTZIXROMC-UHFFFAOYSA-N 0 0 452.598 2.699 40 0 JFABRN C[C@@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccccc1 ZINC000022228328 555887276 /nfs/dbraw/zinc/88/72/76/555887276.db2.gz ZQJLNGWRUIBQGK-GOSISDBHSA-N 0 0 457.596 2.834 40 0 JFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000022230053 555888924 /nfs/dbraw/zinc/88/89/24/555888924.db2.gz WLJKMZYTPZHXQD-JOCHJYFZSA-N 0 0 457.596 2.501 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000022233681 555893908 /nfs/dbraw/zinc/89/39/08/555893908.db2.gz AMMNPHAAEYMMIM-UHFFFAOYSA-N 0 0 492.569 2.972 40 0 JFABRN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000022246264 555896132 /nfs/dbraw/zinc/89/61/32/555896132.db2.gz CIWSLLBPEMXLBN-VWLOTQADSA-N 0 0 463.603 2.921 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000022246557 555896756 /nfs/dbraw/zinc/89/67/56/555896756.db2.gz PSPYMGCFJLACKI-QFIPXVFZSA-N 0 0 487.622 2.802 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCn2ccnc2)cc1Cl ZINC000022246812 555896921 /nfs/dbraw/zinc/89/69/21/555896921.db2.gz CVFORPKOEXUBOQ-FQEVSTJZSA-N 0 0 476.986 2.641 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000022246862 555896969 /nfs/dbraw/zinc/89/69/69/555896969.db2.gz QWGPOBUCMQPQMC-NRFANRHFSA-N 0 0 488.606 2.695 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1Cl ZINC000022248072 555898674 /nfs/dbraw/zinc/89/86/74/555898674.db2.gz HRIRDHCTAORUHA-XLIONFOSSA-N 0 0 466.987 2.924 40 0 JFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCc1ccc(Cl)cc1 ZINC000022249217 555899547 /nfs/dbraw/zinc/89/95/47/555899547.db2.gz WVRGJKGEVMVBPZ-UHFFFAOYSA-N 0 0 459.351 2.710 40 0 JFABRN CCOc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000022250121 555899764 /nfs/dbraw/zinc/89/97/64/555899764.db2.gz FMYTVWLCXKUUJO-UHFFFAOYSA-N 0 0 454.932 2.777 40 0 JFABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000022250471 555900320 /nfs/dbraw/zinc/90/03/20/555900320.db2.gz CYWMGLIOPYOKCX-HNNXBMFYSA-N 0 0 468.959 2.626 40 0 JFABRN COc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000022250455 555900406 /nfs/dbraw/zinc/90/04/06/555900406.db2.gz XLGLJZSHQZQZAQ-HNNXBMFYSA-N 0 0 468.959 2.626 40 0 JFABRN CCN(c1cc(OC)c(OC)cc1C(=O)N1CCN(c2ccccc2F)CC1)S(C)(=O)=O ZINC000022252161 555900683 /nfs/dbraw/zinc/90/06/83/555900683.db2.gz GTJNJKYNJBIICT-UHFFFAOYSA-N 0 0 465.547 2.591 40 0 JFABRN CCN(c1cc(OC)c(OC)cc1C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000022252371 555900925 /nfs/dbraw/zinc/90/09/25/555900925.db2.gz ZLENKUAUNAUUPG-AWEZNQCLSA-N 0 0 466.556 2.998 40 0 JFABRN CCN(c1cc(OC)c(OC)cc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(C)(=O)=O ZINC000022252340 555900954 /nfs/dbraw/zinc/90/09/54/555900954.db2.gz DDCPPQHGOOBHRY-FMIVXFBMSA-N 0 0 487.622 2.961 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2N(C)S(=O)(=O)CC)cc1 ZINC000022252831 555901363 /nfs/dbraw/zinc/90/13/63/555901363.db2.gz AFJOYEWTWNGNTA-UHFFFAOYSA-N 0 0 450.513 2.919 40 0 JFABRN COc1cc(C(=O)NCc2cccnc2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253337 555901480 /nfs/dbraw/zinc/90/14/80/555901480.db2.gz VFJXRXASTFSFAU-UHFFFAOYSA-N 0 0 455.536 2.995 40 0 JFABRN COc1cc(C(=O)NCc2ccncc2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253341 555901556 /nfs/dbraw/zinc/90/15/56/555901556.db2.gz RGFVMTJLJAKIGQ-UHFFFAOYSA-N 0 0 455.536 2.995 40 0 JFABRN COCCNC(=O)c1cc(OC)c(OC)cc1N(Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000022253894 555902368 /nfs/dbraw/zinc/90/23/68/555902368.db2.gz NSWZZJZZCBDKHO-UHFFFAOYSA-N 0 0 456.948 2.700 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000015440073 555909063 /nfs/dbraw/zinc/90/90/63/555909063.db2.gz AOSGPAYPVWVLBZ-UHFFFAOYSA-N 0 0 462.568 2.772 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000015505112 555911810 /nfs/dbraw/zinc/91/18/10/555911810.db2.gz BCUIAEQLFCWJFA-UHFFFAOYSA-N 0 0 459.568 2.571 40 0 JFABRN CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Br)c1OCC(N)=O ZINC000022344885 555923555 /nfs/dbraw/zinc/92/35/55/555923555.db2.gz MEOOLOWFPSVYLV-LICLKQGHSA-N 0 0 472.339 2.978 40 0 JFABRN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CN21)NCc1cccs1 ZINC000015708005 555953324 /nfs/dbraw/zinc/95/33/24/555953324.db2.gz QGFKJGDVSLJZGB-SCTDSRPQSA-N 0 0 476.002 2.561 40 0 biogenic,in-vitro JFABRN CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(F)cc4)no3)N(C)C2)cc1 ZINC000012529991 555999989 /nfs/dbraw/zinc/99/99/89/555999989.db2.gz AXSFDQOFXWKXMK-HKUYNNGSSA-N 0 0 459.503 2.558 40 0 biogenic,in-vitro JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(NC(C)=O)c3)CC2)cc1OC ZINC000023120507 556013212 /nfs/dbraw/zinc/01/32/12/556013212.db2.gz LYAWXOIIRJODIE-UHFFFAOYSA-N 0 0 461.540 2.702 40 0 JFABRN COc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000023321998 556040776 /nfs/dbraw/zinc/04/07/76/556040776.db2.gz YNWBHAQTNJBZIA-UHFFFAOYSA-N 0 0 454.545 2.727 40 0 JFABRN Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(S(=O)(=O)c4ccccc4F)C2)[nH]c3=O)cc1 ZINC000015907294 556064294 /nfs/dbraw/zinc/06/42/94/556064294.db2.gz YIWGHWJYNQXFSW-KRWDZBQOSA-N 0 0 482.541 2.579 40 0 JFABRN CCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000023651625 556082064 /nfs/dbraw/zinc/08/20/64/556082064.db2.gz DVNGFVPWHVAFCE-UHFFFAOYSA-N 0 0 459.568 2.874 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@H]3[C@@H](C)C(=O)C[C@@H](c5ccco5)N3C(=O)[C@@H]24)c1 ZINC000012897445 556125521 /nfs/dbraw/zinc/12/55/21/556125521.db2.gz NSUJNRIEBKWESB-ZYQBUVFLSA-N 0 0 490.512 2.896 40 0 JFABRN CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000016084271 556126506 /nfs/dbraw/zinc/12/65/06/556126506.db2.gz FIQPVAVIWPFCDW-NSHDSACASA-N 0 0 475.224 2.799 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000024211614 556126934 /nfs/dbraw/zinc/12/69/34/556126934.db2.gz FBPHYAXPRBAQDW-MRXNPFEDSA-N 0 0 450.582 2.674 40 0 JFABRN O=S(=O)(c1ccccc1)[C@H]1[C@H]2C=C[C@](CO[C@@H]3CCCCO3)(O2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000016490990 556140891 /nfs/dbraw/zinc/14/08/91/556140891.db2.gz OFBFJNHQORNRNK-GNADVCDUSA-N 0 0 490.599 2.922 40 0 JFABRN O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000025586777 556226689 /nfs/dbraw/zinc/22/66/89/556226689.db2.gz YKQHZSAJYPLRKJ-NRFANRHFSA-N 0 0 492.041 2.889 40 0 JFABRN COC(=O)[C@H](C(=O)C(=O)N[C@H]1Nc2ccc(C)cc2S1)c1nc2ccc(Cl)cc2[nH]c1=O ZINC000017216038 556242233 /nfs/dbraw/zinc/24/22/33/556242233.db2.gz VIXLQFGANPCWNB-YCRPNKLZSA-N 0 0 472.910 2.741 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1 ZINC000026111126 556242900 /nfs/dbraw/zinc/24/29/00/556242900.db2.gz LRCLCUCWPHZVQO-GOSISDBHSA-N 0 0 484.578 2.532 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1 ZINC000026111133 556242936 /nfs/dbraw/zinc/24/29/36/556242936.db2.gz LRCLCUCWPHZVQO-SFHVURJKSA-N 0 0 484.578 2.532 40 0 JFABRN Cn1c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2n(C)c1=O ZINC000026113346 556244530 /nfs/dbraw/zinc/24/45/30/556244530.db2.gz ZHQIEDVIGJZAQK-HSZRJFAPSA-N 0 0 492.557 2.613 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 ZINC000026113225 556244575 /nfs/dbraw/zinc/24/45/75/556244575.db2.gz UKJKDCWXAQWVGI-QFIPXVFZSA-N 0 0 472.563 2.586 40 0 JFABRN CCc1ccc(-n2c3nn(CN4CCC(C(N)=O)CC4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013063488 556260078 /nfs/dbraw/zinc/26/00/78/556260078.db2.gz UJBPGMSISQYCNM-UHFFFAOYSA-N 0 0 462.579 2.887 40 0 JFABRN CCCS(=O)(=O)N1CCC[C@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)C1 ZINC000013083318 556279492 /nfs/dbraw/zinc/27/94/92/556279492.db2.gz PYPFTXJZLHAXIK-AWEZNQCLSA-N 0 0 450.952 2.548 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@H](Cc3cccc(C)c3)NC(C)=O)CC2)c1 ZINC000013084996 556282812 /nfs/dbraw/zinc/28/28/12/556282812.db2.gz JINBGGYTZPGZOU-QHCPKHFHSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccccc1NC(=O)N1CCC(NC(=O)[C@@H](Cc2ccc(C)cc2)NC(C)=O)CC1 ZINC000013085034 556282836 /nfs/dbraw/zinc/28/28/36/556282836.db2.gz MCQRQRIDPMGCLZ-JOCHJYFZSA-N 0 0 452.555 2.864 40 0 JFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3OC)CC2)c1 ZINC000013085143 556283238 /nfs/dbraw/zinc/28/32/38/556283238.db2.gz ITSYLSDKSHRWAB-JOCHJYFZSA-N 0 0 468.554 2.564 40 0 JFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccccc2OC)CC1 ZINC000013085279 556283472 /nfs/dbraw/zinc/28/34/72/556283472.db2.gz BRDBZZXMDXPYJU-NRFANRHFSA-N 0 0 468.554 2.564 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3cccc(C)c3)CC2)c(OC)c1 ZINC000013085344 556283795 /nfs/dbraw/zinc/28/37/95/556283795.db2.gz PTBKOFQBQUTVQI-QHCPKHFHSA-N 0 0 482.581 2.872 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3OC)CC2)c(OC)c1 ZINC000013085353 556283827 /nfs/dbraw/zinc/28/38/27/556283827.db2.gz OTQRTFBEHPDGHR-QFIPXVFZSA-N 0 0 498.580 2.572 40 0 JFABRN COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)cc(OC)c1 ZINC000013085504 556284368 /nfs/dbraw/zinc/28/43/68/556284368.db2.gz OFZHGGNRVJPPFX-XMMPIXPASA-N 0 0 482.581 2.872 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Br)cc1 ZINC000018114087 556289134 /nfs/dbraw/zinc/28/91/34/556289134.db2.gz TWUCZBHQLFPSPC-UHFFFAOYSA-N 0 0 455.330 2.731 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000018217247 556311965 /nfs/dbraw/zinc/31/19/65/556311965.db2.gz RGLQQEGJYMBUID-UHFFFAOYSA-N 0 0 492.041 2.889 40 0 JFABRN CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000028201124 556317314 /nfs/dbraw/zinc/31/73/14/556317314.db2.gz FMMPONRJVMMNRG-UHFFFAOYSA-N 0 0 452.573 2.675 40 0 JFABRN COCCCn1c2nnc(SCC(=O)Nc3cccc4nsnc43)n2c2ccccc2c1=O ZINC000019108508 556330418 /nfs/dbraw/zinc/33/04/18/556330418.db2.gz OQAKIXNANRBDRI-UHFFFAOYSA-N 0 0 481.563 2.816 40 0 JFABRN CCOC(=O)C1=C(COC(=O)C23C[C@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)NC(=O)N[C@@H]1c1ccccc1 ZINC000013121368 556337114 /nfs/dbraw/zinc/33/71/14/556337114.db2.gz BLVVUZZSWRPSIM-BVYKYDBXSA-N 0 0 495.576 2.876 40 0 JFABRN COC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000019592408 556355650 /nfs/dbraw/zinc/35/56/50/556355650.db2.gz BYCNFUAPZHZIRN-NBCVKUGOSA-N 0 0 486.480 2.640 40 0 JFABRN COc1ccc(CCn2nnnc2[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1OC ZINC000019589861 556355713 /nfs/dbraw/zinc/35/57/13/556355713.db2.gz SXARXBQACQASGW-QFIPXVFZSA-N 0 0 456.978 2.923 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1C ZINC000019727698 556362586 /nfs/dbraw/zinc/36/25/86/556362586.db2.gz HBAOWBYENOKIRZ-JOCHJYFZSA-N 0 0 471.623 2.749 40 0 JFABRN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000030751845 556371142 /nfs/dbraw/zinc/37/11/42/556371142.db2.gz MADRHWJWTHDYSE-UHFFFAOYSA-N 0 0 463.581 2.789 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000030751773 556371217 /nfs/dbraw/zinc/37/12/17/556371217.db2.gz WGZCSGYULZOEQM-UHFFFAOYSA-N 0 0 459.568 2.631 40 0 JFABRN COc1cc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c(OC)cc1Cl ZINC000030755614 556373223 /nfs/dbraw/zinc/37/32/23/556373223.db2.gz AYLKSYOFRXTSIV-UHFFFAOYSA-N 0 0 454.932 2.772 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000030756998 556373558 /nfs/dbraw/zinc/37/35/58/556373558.db2.gz FRMCASJLXQPWTF-OAQYLSRUSA-N 0 0 487.622 2.676 40 0 JFABRN Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000019799143 556376399 /nfs/dbraw/zinc/37/63/99/556376399.db2.gz GVVJOLIABHXQRY-UHFFFAOYSA-N 0 0 451.552 2.609 40 0 JFABRN CC(C)Oc1ccc(CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 ZINC000030868262 556384086 /nfs/dbraw/zinc/38/40/86/556384086.db2.gz DBDQFTMZATWVRG-UHFFFAOYSA-N 0 0 451.564 2.975 40 0 JFABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCCC2)Oc2ccccc21 ZINC000030941811 556388761 /nfs/dbraw/zinc/38/87/61/556388761.db2.gz SRZRFZHLBKTOGE-OAQYLSRUSA-N 0 0 457.552 2.869 40 0 JFABRN CCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000019823028 556392691 /nfs/dbraw/zinc/39/26/91/556392691.db2.gz FDDCRFSJQHFTMG-QFIPXVFZSA-N 0 0 472.655 2.668 40 0 JFABRN CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000019823009 556392835 /nfs/dbraw/zinc/39/28/35/556392835.db2.gz GNPXSNPTZPBESD-JOCHJYFZSA-N 0 0 472.655 2.668 40 0 JFABRN COCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019823510 556393817 /nfs/dbraw/zinc/39/38/17/556393817.db2.gz ZOKRXJWXLQOUOD-UHFFFAOYSA-N 0 0 460.644 2.580 40 0 JFABRN Cc1cc2cc(CN(CCCN3CCOCC3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000019824346 556395385 /nfs/dbraw/zinc/39/53/85/556395385.db2.gz GBORAYLNSOIESN-QFIPXVFZSA-N 0 0 472.655 2.723 40 0 JFABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)cc2c1 ZINC000019826230 556397108 /nfs/dbraw/zinc/39/71/08/556397108.db2.gz BFZUGBLLPBMQDX-BVAGGSTKSA-N 0 0 499.619 2.909 40 0 JFABRN CCCn1nnc(NC(=O)c2cc(I)ccc2I)n1 ZINC000032118828 556425625 /nfs/dbraw/zinc/42/56/25/556425625.db2.gz ZUHDUGCLEOQLMV-UHFFFAOYSA-N 0 0 483.051 2.545 40 0 JFABRN O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514289843 560031741 /nfs/dbraw/zinc/03/17/41/560031741.db2.gz PEXKOLFEKXGUJE-FCHUYYIVSA-N 0 0 459.512 2.780 40 0 biogenic,in-vitro JFABRN CCCCS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1 ZINC000072321398 560077662 /nfs/dbraw/zinc/07/76/62/560077662.db2.gz RKWZIACNMSNHGY-IFMALSPDSA-N 0 0 450.532 2.829 40 0 biogenic,in-vitro JFABRN COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc(S(C)(=O)=O)cc2)n1 ZINC000035424951 560080998 /nfs/dbraw/zinc/08/09/98/560080998.db2.gz YTBVXDTVVMGKQD-IBGZPJMESA-N 0 0 457.556 2.931 40 0 biogenic,in-vitro JFABRN CC(C)[C@H](c1nnnn1Cc1ccccc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000008586210 562940846 /nfs/dbraw/zinc/94/08/46/562940846.db2.gz RDSGOKFDFSFIQW-XMMPIXPASA-N 0 0 490.564 2.873 40 0 JFABRN CCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000008671483 562949492 /nfs/dbraw/zinc/94/94/92/562949492.db2.gz XSTANNVREGNUQF-UHFFFAOYSA-N 0 0 451.614 2.668 40 0 JFABRN CC[C@H](C(=O)NCc1ccco1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000008677357 562950642 /nfs/dbraw/zinc/95/06/42/562950642.db2.gz SKXVMQMAMHXJRY-HXUWFJFHSA-N 0 0 475.592 2.743 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(c2cccnc2)C(=O)[C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@@]3(C)C=C[C@@]12O3 ZINC000036383989 563128344 /nfs/dbraw/zinc/12/83/44/563128344.db2.gz CXXRAQWRKZUDLF-NRUSOEPOSA-N 0 0 460.534 2.680 40 0 JFABRN COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c(OC)c1 ZINC000057313021 569596455 /nfs/dbraw/zinc/59/64/55/569596455.db2.gz UJRYMAQUBAJORB-UHFFFAOYSA-N 0 0 468.564 2.983 40 0 JFABRN COc1ccc(NC(=O)Cn2nc3n(c2=O)c2ccccc2c(=O)n3CCC(C)C)cc1OC ZINC000064580709 569620544 /nfs/dbraw/zinc/62/05/44/569620544.db2.gz HDJCPVYMKOKEMG-UHFFFAOYSA-N 0 0 465.510 2.513 40 0 JFABRN COc1ccc(NC(=O)Cn2nc3n(c2=O)c2ccccc2c(=O)n3Cc2ccc(F)cc2)cc1 ZINC000064580753 569620620 /nfs/dbraw/zinc/62/06/20/569620620.db2.gz WQSBXWOMTOPOCA-UHFFFAOYSA-N 0 0 473.464 2.646 40 0 JFABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 ZINC000033400043 569625752 /nfs/dbraw/zinc/62/57/52/569625752.db2.gz JCINFNCKHCEBNB-IBGZPJMESA-N 0 0 469.567 2.635 40 0 JFABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2Cl)CC1 ZINC000033516344 569627130 /nfs/dbraw/zinc/62/71/30/569627130.db2.gz PLLTXLHRIFAAOO-KRWDZBQOSA-N 0 0 466.003 2.922 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(I)cc2)cc1OC ZINC000033731188 569632569 /nfs/dbraw/zinc/63/25/69/569632569.db2.gz IOEJJWXJVVQEQD-LLVKDONJSA-N 0 0 490.319 2.614 40 0 JFABRN COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6ccc(OC(C)=O)cc6)C(=O)[C@H]54)[C@@H]23)cc1OC ZINC000033821775 569635622 /nfs/dbraw/zinc/63/56/22/569635622.db2.gz TVMGXNWVTCMLQN-HPOROXGISA-N 0 0 476.485 2.804 40 0 JFABRN CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937372 569639114 /nfs/dbraw/zinc/63/91/14/569639114.db2.gz ROIVOHNGUITHMN-RTWAWAEBSA-N 0 0 454.575 2.646 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4C)[C@@H](C(=O)NC(C)(C)C)[C@]34C=C[C@@]2(C)O4)no1 ZINC000033939909 569639248 /nfs/dbraw/zinc/63/92/48/569639248.db2.gz GDDBZJOHHCIGIG-SIBACELJSA-N 0 0 478.549 2.890 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000035087613 569674608 /nfs/dbraw/zinc/67/46/08/569674608.db2.gz AOIVCRYYBAHZQY-UHFFFAOYSA-N 0 0 457.596 2.503 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)c1ccccc1F ZINC000035167407 569677134 /nfs/dbraw/zinc/67/71/34/569677134.db2.gz BNXCOEOIGRLXHJ-UHFFFAOYSA-N 0 0 479.511 2.535 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN([C@H](C(=O)NC5CCCC5)c5ccc(F)cc5)C(=O)[C@H]24)O3)no1 ZINC000035290046 569679661 /nfs/dbraw/zinc/67/96/61/569679661.db2.gz YGGQLDKANGSLLH-XQHPTCSASA-N 0 0 494.523 2.643 40 0 JFABRN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)[C@@](C)(O)C[C@@]12NNC(=S)N2 ZINC000035323687 569680671 /nfs/dbraw/zinc/68/06/71/569680671.db2.gz JLEORZPEHVPALO-XWGGYKFUSA-N 0 0 477.627 2.519 40 0 JFABRN CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F ZINC000068247388 569691157 /nfs/dbraw/zinc/69/11/57/569691157.db2.gz LMMJFBMMJUMSJS-UHFFFAOYSA-N 0 0 471.470 2.685 40 0 investigational JFABRN COc1cc(C(=O)N2[C@H](C(=O)[O-])COC23CC[NH+](Cc2ccccc2)CC3)cc(OC)c1OC ZINC000071980598 569699366 /nfs/dbraw/zinc/69/93/66/569699366.db2.gz YUQBFGRTEOPBIF-IBGZPJMESA-N 0 0 470.522 2.630 40 0 JFABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H](CO)NC(=O)OCc4ccccc4)C3)cc2n1 ZINC000072341310 569703539 /nfs/dbraw/zinc/70/35/39/569703539.db2.gz CFOJGDXWFCCMFZ-SJLPKXTDSA-N 0 0 491.470 2.660 40 0 JFABRN Cc1cc(C)cc(C(=O)/C=c2\s/c(=C\c3ccc(Cl)cc3)c(=O)n2CC(=O)N(C)C)c1 ZINC000035684367 569706834 /nfs/dbraw/zinc/70/68/34/569706834.db2.gz NSCDMXCOTDHNIC-JNCKMVCSSA-N 0 0 454.979 2.760 40 0 JFABRN COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc(OC)c1OC ZINC000100203982 569755232 /nfs/dbraw/zinc/75/52/32/569755232.db2.gz VVTHMNLMKPXMCH-LZISPXOZSA-N 0 0 497.935 2.797 40 0 JFABRN CCN(C1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)S(=O)(=O)c1ccccc1 ZINC000100211112 569755467 /nfs/dbraw/zinc/75/54/67/569755467.db2.gz HOCYDYBNQTYCGN-OAQYLSRUSA-N 0 0 459.543 2.633 40 0 JFABRN CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000100422265 569759971 /nfs/dbraw/zinc/75/99/71/569759971.db2.gz DSWHZCCDFZIMPG-YGWSKSRPSA-N 0 0 480.517 2.678 40 0 JFABRN CN1CCN(S(=O)(=O)c2ccc(-c3noc([C@H]4CCCN(C(=O)c5ccccc5)C4)n3)cc2)CC1 ZINC000036351144 569771156 /nfs/dbraw/zinc/77/11/56/569771156.db2.gz IDZACRPCMDMWEZ-NRFANRHFSA-N 0 0 495.605 2.693 40 0 JFABRN CC(C)[C@H]([NH3+])C(=O)NC[C@H](CC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000101427029 569797468 /nfs/dbraw/zinc/79/74/68/569797468.db2.gz NLKJGZLTIDQFHV-DKXUYOFUSA-N 0 0 451.995 2.920 40 0 JFABRN COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)Nc1ccc(Cl)cc1)N1c3ccccc3C=C[C@@H]21 ZINC000101474817 569799014 /nfs/dbraw/zinc/79/90/14/569799014.db2.gz KGIUARDSEPWGMX-BURNTYAHSA-N 0 0 451.910 2.810 40 0 JFABRN Cc1cc(Br)ccc1NC(=O)COc1cccc([C@H]2CC(=O)N=C3NC=NN32)c1 ZINC000038199668 569800793 /nfs/dbraw/zinc/80/07/93/569800793.db2.gz HEHIAMMPMVIOSP-QGZVFWFLSA-N 0 0 456.300 2.951 40 0 JFABRN Nc1nc(Br)c([C@@H]2CCNC(=O)c3[nH]c(Br)c(Br)c32)[nH]1 ZINC000039166403 569809240 /nfs/dbraw/zinc/80/92/40/569809240.db2.gz NEISLVFGGLIVRA-GSVOUGTGSA-N 0 0 467.947 2.873 40 0 in-vitro JFABRN CCOC(=O)Cn1cc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)c2cc(Br)ccc21 ZINC000039556364 569810367 /nfs/dbraw/zinc/81/03/67/569810367.db2.gz KJEUPRYXKHGCRK-APSNUPSMSA-N 0 0 494.367 2.540 40 0 JFABRN CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3CC(=O)OC)cn(CC(=O)NC3CCCC3)c21 ZINC000039556441 569810460 /nfs/dbraw/zinc/81/04/60/569810460.db2.gz ORCPXYZZEVQPIJ-NDENLUEZSA-N 0 0 482.606 2.835 40 0 JFABRN COc1ccc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n2C)cc1 ZINC000039702663 569811054 /nfs/dbraw/zinc/81/10/54/569811054.db2.gz GKOOBLQGTZPZQY-HNNXBMFYSA-N 0 0 457.490 2.964 40 0 JFABRN COc1cc(C(=O)Nn2ccc3c(nnc4c(-c5ccccc5)cnn43)c2=O)cc(OC)c1OC ZINC000040388265 569824483 /nfs/dbraw/zinc/82/44/83/569824483.db2.gz VCGWZZAOALIFRI-UHFFFAOYSA-N 0 0 472.461 2.516 40 0 JFABRN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N3)C1 ZINC000040388786 569824748 /nfs/dbraw/zinc/82/47/48/569824748.db2.gz ONHWUSZHQGLPCY-RISCZKNCSA-N 0 0 460.332 2.833 40 0 JFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N2 ZINC000040390469 569824912 /nfs/dbraw/zinc/82/49/12/569824912.db2.gz VUUKDJYRWFNEFB-SJORKVTESA-N 0 0 452.515 2.562 40 0 JFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(OC)cc1OC)CC(=O)N2 ZINC000040390647 569825127 /nfs/dbraw/zinc/82/51/27/569825127.db2.gz KFLKWJPMQZWBQU-HIFRSBDPSA-N 0 0 455.515 2.621 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Sc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000103009560 569831667 /nfs/dbraw/zinc/83/16/67/569831667.db2.gz FDRTYADXAMZRMR-OMQSBVIBSA-N 0 0 474.915 2.515 40 0 JFABRN CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@@H]2[C@H](O)c2ccc(Cl)cc2)C(=O)Nc2ccccc21 ZINC000103088003 569832812 /nfs/dbraw/zinc/83/28/12/569832812.db2.gz FCCFRZPQNNQUST-PYJXJXBRSA-N 0 0 453.926 2.594 40 0 JFABRN COC(=O)c1ccc(NC(=O)NCc2cc(=O)n3nc(-c4ccc(OC)cc4)sc3n2)cc1 ZINC000041078146 569836007 /nfs/dbraw/zinc/83/60/07/569836007.db2.gz ZKFBNTLTBUQWCO-UHFFFAOYSA-N 0 0 465.491 2.935 40 0 JFABRN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)N3CCCC3)c(OCC)c2)C1=O ZINC000106742458 569855404 /nfs/dbraw/zinc/85/54/04/569855404.db2.gz PAUOZKWQNYFZGQ-PDGQHHTCSA-N 0 0 462.524 2.686 40 0 JFABRN COc1ccc(CC(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3OC)n2C)cc1 ZINC000107567676 569856569 /nfs/dbraw/zinc/85/65/69/569856569.db2.gz DFDADFKTCBUOKX-HNNXBMFYSA-N 0 0 469.567 2.983 40 0 JFABRN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1OC ZINC000107619735 569856715 /nfs/dbraw/zinc/85/67/15/569856715.db2.gz QNGRFYFHBXAKAY-UHFFFAOYSA-N 0 0 476.595 2.780 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@H](C)C(=O)OC)c(Cl)c3)C2=O)o1 ZINC000107766818 569857380 /nfs/dbraw/zinc/85/73/80/569857380.db2.gz AVTKIYSROWKJFS-PDICVPPASA-N 0 0 462.842 2.753 40 0 JFABRN CCOC(=O)COc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O ZINC000107797892 569857484 /nfs/dbraw/zinc/85/74/84/569857484.db2.gz LYFCFBXWEVTIQH-DHDCSXOGSA-N 0 0 462.842 2.754 40 0 JFABRN CCN1C(=O)S/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O ZINC000108077355 569858553 /nfs/dbraw/zinc/85/85/53/569858553.db2.gz NFHNOPUNVZEZOL-GDNBJRDFSA-N 0 0 455.330 2.743 40 0 JFABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1 ZINC000108141344 569858828 /nfs/dbraw/zinc/85/88/28/569858828.db2.gz XTBZPEKGUGMCNP-SFHVURJKSA-N 0 0 469.567 2.635 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4nc(C)cc(=O)[nH]4)c3)C2)cc1 ZINC000108154765 569858864 /nfs/dbraw/zinc/85/88/64/569858864.db2.gz SVBQBUKYGIUKQX-SFHVURJKSA-N 0 0 482.562 2.793 40 0 JFABRN COc1ccc(CC(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cccc(OC)c3)n2C)cc1 ZINC000108202172 569859024 /nfs/dbraw/zinc/85/90/24/569859024.db2.gz IRXOXMVHAILBLE-HNNXBMFYSA-N 0 0 469.567 2.983 40 0 JFABRN COC(=O)c1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1C ZINC000109044917 569860451 /nfs/dbraw/zinc/86/04/51/569860451.db2.gz UYLFJCFIRZTSPP-UHFFFAOYSA-N 0 0 453.524 2.571 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(-n4ccnc4)cc3)C2)cc1 ZINC000115995445 569862769 /nfs/dbraw/zinc/86/27/69/569862769.db2.gz HPSPRRQSBVNGMY-IBGZPJMESA-N 0 0 454.552 2.598 40 0 JFABRN COC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@H]3CC[C@]12C ZINC000118923325 569863661 /nfs/dbraw/zinc/86/36/61/569863661.db2.gz LGILGNKVRXMEMW-ZELHXQMNSA-N 0 0 466.571 2.523 40 0 JFABRN CO[C@@H]1O[C@@]23CC[C@]4(O)C[C@@H](OC(C)=O)CC[C@@]14[C@H]2CC[C@@]1(C)[C@H]3CC[C@@H]1C(=O)COC(C)=O ZINC000119197656 569864220 /nfs/dbraw/zinc/86/42/20/569864220.db2.gz KEOOAUOUZQFIKC-GCFMLQCNSA-N 0 0 478.582 2.930 40 0 JFABRN Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1 ZINC000138706047 569866264 /nfs/dbraw/zinc/86/62/64/569866264.db2.gz YJWXYBYZKGEYOK-INIZCTEOSA-N 0 0 488.338 2.741 40 0 JFABRN C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC000138711678 569866294 /nfs/dbraw/zinc/86/62/94/569866294.db2.gz SWRBLJYPKRDBDT-CZUORRHYSA-N 0 0 478.332 2.907 40 0 JFABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2cc(OC)cc(OC)c2)C1 ZINC000138772583 569866370 /nfs/dbraw/zinc/86/63/70/569866370.db2.gz WHYGCKGJGSQYHD-LJQANCHMSA-N 0 0 497.548 2.504 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)cc1 ZINC000138850823 569866479 /nfs/dbraw/zinc/86/64/79/569866479.db2.gz IIAVHGNWIAPXGW-INIZCTEOSA-N 0 0 488.338 2.741 40 0 JFABRN Cc1c(Br)ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3)C2)c1C ZINC000138862835 569866553 /nfs/dbraw/zinc/86/65/53/569866553.db2.gz RXZSUVFMLAZAKQ-INIZCTEOSA-N 0 0 488.338 2.741 40 0 JFABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1Cl ZINC000138921320 569866670 /nfs/dbraw/zinc/86/66/70/569866670.db2.gz VYLSFYMTRZVIMU-ZDUSSCGKSA-N 0 0 464.305 2.977 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1cc(Cl)ccc1Cl ZINC000139002432 569866804 /nfs/dbraw/zinc/86/68/04/569866804.db2.gz JKRYOPUALVTFGE-ZDUSSCGKSA-N 0 0 450.278 2.669 40 0 JFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(OC)cc1OC)CC(=O)N2 ZINC000139120934 569867181 /nfs/dbraw/zinc/86/71/81/569867181.db2.gz KFLKWJPMQZWBQU-DZGCQCFKSA-N 0 0 455.515 2.621 40 0 JFABRN COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000139113337 569867253 /nfs/dbraw/zinc/86/72/53/569867253.db2.gz UTOUPESZZRIIIZ-GFCCVEGCSA-N 0 0 480.304 2.677 40 0 JFABRN CNC(=O)c1cccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@H]2C)c1 ZINC000139563465 569867330 /nfs/dbraw/zinc/86/73/30/569867330.db2.gz JUSFANSTBFGBAF-SJORKVTESA-N 0 0 462.554 2.502 40 0 JFABRN COc1ccc(-c2ccc3c(n2)nc(N2CCOC[C@H]2C)nc3N2CCOC[C@H]2C)cc1CO ZINC000143201183 569867654 /nfs/dbraw/zinc/86/76/54/569867654.db2.gz KVLFRAWTRWDEDF-IAGOWNOFSA-N 0 0 465.554 2.643 40 0 in-vitro JFABRN NC(=O)C1CCN(C(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000164201415 569867957 /nfs/dbraw/zinc/86/79/57/569867957.db2.gz CNXRAGLVIUGAPI-UHFFFAOYSA-N 0 0 484.405 2.908 40 0 JFABRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ncccc3C)n2C)cc1 ZINC000166333757 569868106 /nfs/dbraw/zinc/86/81/06/569868106.db2.gz MCITYSVLSVMQMS-INIZCTEOSA-N 0 0 468.583 2.895 40 0 JFABRN CCC[C@]1(C(=O)OC)N[C@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000169299377 569868162 /nfs/dbraw/zinc/86/81/62/569868162.db2.gz FRBXZKHVONDOQG-BILGYAHESA-N 0 0 496.516 2.595 40 0 JFABRN CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1OC ZINC000205696464 569874101 /nfs/dbraw/zinc/87/41/01/569874101.db2.gz YVFDPVAQMBKZTG-KPKJPENVSA-N 0 0 477.276 2.908 40 0 JFABRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1O ZINC000205855881 569874442 /nfs/dbraw/zinc/87/44/42/569874442.db2.gz SGFUXNSEYJOIRU-MDWZMJQESA-N 0 0 488.303 2.664 40 0 JFABRN Cc1nn(C)cc1[C@H]1C[C@H](C(=O)N(C2CCCCC2)C2CCCCC2)N(C)S(=O)(=O)N1 ZINC000208532401 569875842 /nfs/dbraw/zinc/87/58/42/569875842.db2.gz GOZNFZDZAQSTHB-NHCUHLMSSA-N 0 0 451.637 2.802 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222392017 569884038 /nfs/dbraw/zinc/88/40/38/569884038.db2.gz POLHGJMFVGSLTP-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222412925 569884161 /nfs/dbraw/zinc/88/41/61/569884161.db2.gz VWWHENADHLXEPD-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222400369 569884128 /nfs/dbraw/zinc/88/41/28/569884128.db2.gz XGPPCCKBYYAAFC-BHIFYINESA-N 0 0 453.583 2.968 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000222416401 569884203 /nfs/dbraw/zinc/88/42/03/569884203.db2.gz NBZDLZZQURDBRE-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222437890 569884336 /nfs/dbraw/zinc/88/43/36/569884336.db2.gz HWDXNHXHVYASLJ-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222503934 569884934 /nfs/dbraw/zinc/88/49/34/569884934.db2.gz KMYNFENYXHQDQL-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000222503705 569884952 /nfs/dbraw/zinc/88/49/52/569884952.db2.gz KJTQOKGYAOVPFB-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222504376 569884982 /nfs/dbraw/zinc/88/49/82/569884982.db2.gz BPKOWXNZVXROGL-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC)S(C)(=O)=O ZINC000222551977 569885662 /nfs/dbraw/zinc/88/56/62/569885662.db2.gz YKYMCXPJGAKEJE-INIZCTEOSA-N 0 0 466.003 2.832 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222552265 569885670 /nfs/dbraw/zinc/88/56/70/569885670.db2.gz KVRYEAQICWHANM-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000222556373 569885749 /nfs/dbraw/zinc/88/57/49/569885749.db2.gz MNDXMQQZSDYMGO-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@H]4CCCN(S(C)(=O)=O)C4)cc32)cc1 ZINC000222557617 569885801 /nfs/dbraw/zinc/88/58/01/569885801.db2.gz XPCIBGXPKXLOHT-SFHVURJKSA-N 0 0 457.552 2.508 40 0 JFABRN Cc1nc(SCCNC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n[nH]1 ZINC000222560703 569885842 /nfs/dbraw/zinc/88/58/42/569885842.db2.gz ZKYZBXGXVKOJNW-UHFFFAOYSA-N 0 0 459.597 2.576 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c2ccccc2O1 ZINC000222564852 569885856 /nfs/dbraw/zinc/88/58/56/569885856.db2.gz AWCRHEUYGHANGY-KNQAVFIVSA-N 0 0 486.590 2.980 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222559990 569885870 /nfs/dbraw/zinc/88/58/70/569885870.db2.gz QSFPETVOHOWESR-INIZCTEOSA-N 0 0 466.003 2.832 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222612610 569886970 /nfs/dbraw/zinc/88/69/70/569886970.db2.gz KIZQUWREYTVXAY-ZDUSSCGKSA-N 0 0 473.929 2.548 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222628301 569887293 /nfs/dbraw/zinc/88/72/93/569887293.db2.gz BGWJZHDWJCKHLA-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222629110 569887322 /nfs/dbraw/zinc/88/73/22/569887322.db2.gz QJTLEJHVQJXWNP-INIZCTEOSA-N 0 0 467.538 2.674 40 0 JFABRN COC(=O)c1cn(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c2ccccc12 ZINC000222630436 569887341 /nfs/dbraw/zinc/88/73/41/569887341.db2.gz KEYRORAKYKNXAM-UHFFFAOYSA-N 0 0 475.954 2.706 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000222631308 569887347 /nfs/dbraw/zinc/88/73/47/569887347.db2.gz VFSFHVIJKISTJN-FQEVSTJZSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000222631374 569887371 /nfs/dbraw/zinc/88/73/71/569887371.db2.gz VFSFHVIJKISTJN-HXUWFJFHSA-N 0 0 493.601 2.932 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222634301 569887475 /nfs/dbraw/zinc/88/74/75/569887475.db2.gz MXVQXHJIMXMBOB-UHFFFAOYSA-N 0 0 477.583 2.646 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222647191 569887727 /nfs/dbraw/zinc/88/77/27/569887727.db2.gz BSBYZGOUPWSVGD-KRWDZBQOSA-N 0 0 463.575 2.924 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222651670 569887754 /nfs/dbraw/zinc/88/77/54/569887754.db2.gz DWVVABCQZMSRBB-QGZVFWFLSA-N 0 0 489.594 2.513 40 0 JFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000222662550 569887975 /nfs/dbraw/zinc/88/79/75/569887975.db2.gz ADXVSHVKAKHESK-GOSISDBHSA-N 0 0 473.595 2.946 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222667738 569888036 /nfs/dbraw/zinc/88/80/36/569888036.db2.gz DKSAVMAUHTZUIH-KRWDZBQOSA-N 0 0 471.579 2.553 40 0 JFABRN Cc1ccccc1CN(C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@@H](C)C(=O)NC(C)(C)C ZINC000222702439 569888980 /nfs/dbraw/zinc/88/89/80/569888980.db2.gz SKSJJDINAOCJDH-SESVDKBCSA-N 0 0 453.583 2.968 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222704673 569889063 /nfs/dbraw/zinc/88/90/63/569889063.db2.gz GNIHBCMDTIHMMD-HXUWFJFHSA-N 0 0 459.612 2.638 40 0 JFABRN C[C@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222707186 569889159 /nfs/dbraw/zinc/88/91/59/569889159.db2.gz GPQDTHSHBQDKLJ-HXUWFJFHSA-N 0 0 483.590 2.775 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000222708926 569889205 /nfs/dbraw/zinc/88/92/05/569889205.db2.gz NVFJDWOPEVUMRA-UHFFFAOYSA-N 0 0 479.558 2.873 40 0 JFABRN C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000222727731 569889675 /nfs/dbraw/zinc/88/96/75/569889675.db2.gz GIXIJRFJCFYOHA-LJQANCHMSA-N 0 0 459.974 2.585 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222732093 569889763 /nfs/dbraw/zinc/88/97/63/569889763.db2.gz DJFVAFSKPVZJAP-FQEVSTJZSA-N 0 0 488.654 2.940 40 0 JFABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(CC(N)=O)cc1 ZINC000222767330 569890607 /nfs/dbraw/zinc/89/06/07/569890607.db2.gz AHMRVIRZFQIAAG-UHFFFAOYSA-N 0 0 459.568 2.651 40 0 JFABRN CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000222777421 569890835 /nfs/dbraw/zinc/89/08/35/569890835.db2.gz AERGFPKXCMRODY-QGZVFWFLSA-N 0 0 494.620 2.932 40 0 JFABRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(CC(N)=O)cc1 ZINC000222804987 569891561 /nfs/dbraw/zinc/89/15/61/569891561.db2.gz JJFWETFSCMPNQG-UHFFFAOYSA-N 0 0 471.510 2.980 40 0 JFABRN C[C@@H](C(=O)NCCC1=CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222816064 569891818 /nfs/dbraw/zinc/89/18/18/569891818.db2.gz CAKSGSFRMNXMSB-KRWDZBQOSA-N 0 0 470.035 2.955 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c(C)c1 ZINC000222819290 569891935 /nfs/dbraw/zinc/89/19/35/569891935.db2.gz XNQKTMPFCVWUFW-UHFFFAOYSA-N 0 0 497.639 2.602 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222820715 569891949 /nfs/dbraw/zinc/89/19/49/569891949.db2.gz KXSAFRBYHFTOEL-MRXNPFEDSA-N 0 0 497.564 2.683 40 0 JFABRN C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl ZINC000222830403 569892136 /nfs/dbraw/zinc/89/21/36/569892136.db2.gz ZPPGTNHRFQYDPL-OAHLLOKOSA-N 0 0 450.944 2.718 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222837968 569892309 /nfs/dbraw/zinc/89/23/09/569892309.db2.gz IJFZCAVTMJSEES-BDTNDASRSA-N 0 0 469.582 2.668 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OC ZINC000222845610 569892517 /nfs/dbraw/zinc/89/25/17/569892517.db2.gz OFFCHMPJXIZAKV-UHFFFAOYSA-N 0 0 475.567 2.589 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000222854971 569892831 /nfs/dbraw/zinc/89/28/31/569892831.db2.gz YCGCZMAVEIEEDN-GOSISDBHSA-N 0 0 489.638 2.922 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222858739 569892895 /nfs/dbraw/zinc/89/28/95/569892895.db2.gz YDXGWTDMGQTBRE-LJQANCHMSA-N 0 0 477.602 2.921 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222883066 569893485 /nfs/dbraw/zinc/89/34/85/569893485.db2.gz NNIHCPAENGQSPJ-KRWDZBQOSA-N 0 0 493.601 2.932 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)cc1 ZINC000222885038 569893531 /nfs/dbraw/zinc/89/35/31/569893531.db2.gz YAWUCBOJDZFENU-OAQYLSRUSA-N 0 0 460.552 2.617 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222891478 569893726 /nfs/dbraw/zinc/89/37/26/569893726.db2.gz YGUDTRMNNSXPHZ-QGZVFWFLSA-N 0 0 466.003 2.620 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000222899066 569893895 /nfs/dbraw/zinc/89/38/95/569893895.db2.gz GDHRIOSXCFFJGH-OAHLLOKOSA-N 0 0 486.421 2.965 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000222905497 569894056 /nfs/dbraw/zinc/89/40/56/569894056.db2.gz ROJRULUKJKRSIQ-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000222911677 569894173 /nfs/dbraw/zinc/89/41/73/569894173.db2.gz JTRNHRVZDYEWFJ-FQEVSTJZSA-N 0 0 459.612 2.747 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222911768 569894174 /nfs/dbraw/zinc/89/41/74/569894174.db2.gz BHIGBXPCKDFUPK-HXUWFJFHSA-N 0 0 459.612 2.747 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222915121 569894242 /nfs/dbraw/zinc/89/42/42/569894242.db2.gz ZKQMPFJOKHEEHC-INIZCTEOSA-N 0 0 494.013 2.862 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222917605 569894305 /nfs/dbraw/zinc/89/43/05/569894305.db2.gz CFDXSSTUUCXXPE-AWEZNQCLSA-N 0 0 487.956 2.938 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000222935884 569894880 /nfs/dbraw/zinc/89/48/80/569894880.db2.gz VTUXZFVCKOHFDO-IBGZPJMESA-N 0 0 496.427 2.769 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222953049 569895320 /nfs/dbraw/zinc/89/53/20/569895320.db2.gz KLOWVGZCPBSVHP-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN COCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000222959224 569895451 /nfs/dbraw/zinc/89/54/51/569895451.db2.gz QSDRHKVLLCKSOF-SFHVURJKSA-N 0 0 458.555 2.825 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222960484 569895481 /nfs/dbraw/zinc/89/54/81/569895481.db2.gz APSSXARBCIXVMX-QFIPXVFZSA-N 0 0 475.611 2.795 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222960544 569895521 /nfs/dbraw/zinc/89/55/21/569895521.db2.gz APSSXARBCIXVMX-JOCHJYFZSA-N 0 0 475.611 2.795 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222964206 569895619 /nfs/dbraw/zinc/89/56/19/569895619.db2.gz YADQPDFVRPCLMT-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222972536 569895803 /nfs/dbraw/zinc/89/58/03/569895803.db2.gz YIWUIVWRQASBAY-GOSISDBHSA-N 0 0 463.575 2.925 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222977643 569895924 /nfs/dbraw/zinc/89/59/24/569895924.db2.gz HSTZPJBYZZCEDK-HNNXBMFYSA-N 0 0 469.966 2.653 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000222977877 569895959 /nfs/dbraw/zinc/89/59/59/569895959.db2.gz NWTNEDPRNUSQKU-GOSISDBHSA-N 0 0 463.575 2.780 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000222981018 569896056 /nfs/dbraw/zinc/89/60/56/569896056.db2.gz JUVCDEJYHBLGOR-NRFANRHFSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222982211 569896116 /nfs/dbraw/zinc/89/61/16/569896116.db2.gz DHMPDEYONBDRGS-HXUWFJFHSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223000005 569896557 /nfs/dbraw/zinc/89/65/57/569896557.db2.gz FOHZIUDUNRNFDL-MRXNPFEDSA-N 0 0 496.427 2.769 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223032618 569897381 /nfs/dbraw/zinc/89/73/81/569897381.db2.gz ZJWKZNXSVDQVEF-NRFANRHFSA-N 0 0 459.612 2.931 40 0 JFABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCCO)cc1OC ZINC000223032088 569897385 /nfs/dbraw/zinc/89/73/85/569897385.db2.gz QCMJTXNJCSCKTE-XMMPIXPASA-N 0 0 476.573 2.995 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223039605 569897547 /nfs/dbraw/zinc/89/75/47/569897547.db2.gz BQMZYWSYVOAJCX-QFIPXVFZSA-N 0 0 473.595 2.517 40 0 JFABRN COc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(OC)c(N3C(=O)CCC3=O)c1)CC(C)(C)O2 ZINC000223048919 569897721 /nfs/dbraw/zinc/89/77/21/569897721.db2.gz NGYLYNKTRSUWBJ-QGZVFWFLSA-N 0 0 474.535 2.938 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223054450 569897922 /nfs/dbraw/zinc/89/79/22/569897922.db2.gz PJRSEODIIUHCPL-HOTGVXAUSA-N 0 0 491.997 2.817 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223070784 569898544 /nfs/dbraw/zinc/89/85/44/569898544.db2.gz NYLIUOCAXNCKKN-LZQZEXGQSA-N 0 0 490.398 2.644 40 0 JFABRN COc1ccc(N(CCCC(=O)NCc2ccccc2CN2CCCC2=O)S(C)(=O)=O)cc1 ZINC000223075015 569898705 /nfs/dbraw/zinc/89/87/05/569898705.db2.gz XCKCEPYBBMPKOM-UHFFFAOYSA-N 0 0 473.595 2.680 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223078843 569898792 /nfs/dbraw/zinc/89/87/92/569898792.db2.gz OGVFWMJQLNBIIP-FQEVSTJZSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223078048 569898799 /nfs/dbraw/zinc/89/87/99/569898799.db2.gz CAVIQWUXCDFJDA-LJQANCHMSA-N 0 0 496.029 2.976 40 0 JFABRN COc1ccc(N(CCCC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1 ZINC000223081262 569898873 /nfs/dbraw/zinc/89/88/73/569898873.db2.gz JSAIILOQQVWISV-UHFFFAOYSA-N 0 0 450.542 2.669 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223086145 569899053 /nfs/dbraw/zinc/89/90/53/569899053.db2.gz MXZXVJZXLXOTNY-LJQANCHMSA-N 0 0 485.606 2.863 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223108630 569899637 /nfs/dbraw/zinc/89/96/37/569899637.db2.gz DFDOMINNQLLWBM-GOSISDBHSA-N 0 0 477.602 2.966 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223108570 569899654 /nfs/dbraw/zinc/89/96/54/569899654.db2.gz DFDOMINNQLLWBM-SFHVURJKSA-N 0 0 477.602 2.966 40 0 JFABRN COc1cccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000223107476 569899657 /nfs/dbraw/zinc/89/96/57/569899657.db2.gz YEJUIVMYJBBNMJ-IBGZPJMESA-N 0 0 489.638 2.836 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000223115236 569899883 /nfs/dbraw/zinc/89/98/83/569899883.db2.gz KEHXHDRSPAUAMV-LJQANCHMSA-N 0 0 458.540 2.915 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223120251 569900028 /nfs/dbraw/zinc/90/00/28/569900028.db2.gz WKRZGXZIMHGNNL-IBGZPJMESA-N 0 0 466.003 2.968 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223123039 569900158 /nfs/dbraw/zinc/90/01/58/569900158.db2.gz UKOHVBXHQFPIHB-NRSPTQNISA-N 0 0 453.583 2.702 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000223156467 569901389 /nfs/dbraw/zinc/90/13/89/569901389.db2.gz NIPJICFTWSCOHE-UHFFFAOYSA-N 0 0 464.584 2.644 40 0 JFABRN Cc1ccccc1-c1noc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)n1 ZINC000223157621 569901409 /nfs/dbraw/zinc/90/14/09/569901409.db2.gz YFJOAPGNNMUNJH-UHFFFAOYSA-N 0 0 470.536 2.970 40 0 JFABRN CC1CC[NH+](CCC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)CC1 ZINC000223161314 569901602 /nfs/dbraw/zinc/90/16/02/569901602.db2.gz PPVHMLZIAKAKTP-UHFFFAOYSA-N 0 0 458.009 2.844 40 0 JFABRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 ZINC000223165636 569901678 /nfs/dbraw/zinc/90/16/78/569901678.db2.gz ZEQGMZGIZUREMG-ZEQRLZLVSA-N 0 0 491.617 2.964 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223168047 569901811 /nfs/dbraw/zinc/90/18/11/569901811.db2.gz HRBLILGALVXHSO-IBGZPJMESA-N 0 0 469.966 2.799 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223186287 569902631 /nfs/dbraw/zinc/90/26/31/569902631.db2.gz MRVOVAFDBJPHPK-LJQANCHMSA-N 0 0 499.008 2.645 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000223189376 569902703 /nfs/dbraw/zinc/90/27/03/569902703.db2.gz CPZPEJCRAKSSMY-UHFFFAOYSA-N 0 0 474.564 2.795 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223209952 569903550 /nfs/dbraw/zinc/90/35/50/569903550.db2.gz ZBANIOBGPCWCOI-OAQYLSRUSA-N 0 0 463.575 2.762 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223212505 569903685 /nfs/dbraw/zinc/90/36/85/569903685.db2.gz IHOJIDURTZTWDB-GOSISDBHSA-N 0 0 499.992 2.807 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223213550 569903718 /nfs/dbraw/zinc/90/37/18/569903718.db2.gz RHCGPSGLLGHZML-FQEVSTJZSA-N 0 0 463.575 2.762 40 0 JFABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCCN3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000223225756 569904058 /nfs/dbraw/zinc/90/40/58/569904058.db2.gz MECRIGJPYGFZTJ-UHFFFAOYSA-N 0 0 459.612 2.722 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223226065 569904068 /nfs/dbraw/zinc/90/40/68/569904068.db2.gz LLOPSMFUQYWFEO-NRFANRHFSA-N 0 0 492.617 2.609 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223233222 569904323 /nfs/dbraw/zinc/90/43/23/569904323.db2.gz DDFYFQBTXNZGPT-NRFANRHFSA-N 0 0 463.575 2.780 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223248679 569904857 /nfs/dbraw/zinc/90/48/57/569904857.db2.gz AFPUELZQYKXIRR-FQEVSTJZSA-N 0 0 485.606 2.862 40 0 JFABRN COc1ccc(CN(C(=O)C(C)C)[C@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 ZINC000223274817 569905860 /nfs/dbraw/zinc/90/58/60/569905860.db2.gz KVWNJLFFVGTFCE-RUZDIDTESA-N 0 0 467.610 2.740 40 0 JFABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 ZINC000223278566 569905987 /nfs/dbraw/zinc/90/59/87/569905987.db2.gz QTCKYDDKHMXSGV-UHFFFAOYSA-N 0 0 475.592 2.571 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223294032 569906495 /nfs/dbraw/zinc/90/64/95/569906495.db2.gz DTONPOUCQHYWIW-FQEVSTJZSA-N 0 0 485.606 2.862 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000223338824 569907955 /nfs/dbraw/zinc/90/79/55/569907955.db2.gz ITNCDOPGLOREMB-SFHVURJKSA-N 0 0 480.539 2.682 40 0 JFABRN CC(C)Sc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)s1 ZINC000223346922 569908113 /nfs/dbraw/zinc/90/81/13/569908113.db2.gz VUWPYJRDSNKABW-UHFFFAOYSA-N 0 0 476.049 2.880 40 0 JFABRN COc1ccc(N(CCCC(=O)NCc2nc(-c3ccccc3C)no2)S(C)(=O)=O)cc1 ZINC000223363875 569908868 /nfs/dbraw/zinc/90/88/68/569908868.db2.gz VWFICIAWCKJDQR-UHFFFAOYSA-N 0 0 458.540 2.916 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223388135 569909545 /nfs/dbraw/zinc/90/95/45/569909545.db2.gz UXIGAVHEPWOQES-HXUWFJFHSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223390527 569909648 /nfs/dbraw/zinc/90/96/48/569909648.db2.gz KLCVOZFNNXSRBT-HXUWFJFHSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223390460 569909663 /nfs/dbraw/zinc/90/96/63/569909663.db2.gz KLCVOZFNNXSRBT-FQEVSTJZSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223397575 569909830 /nfs/dbraw/zinc/90/98/30/569909830.db2.gz FPKNNMWMDUOOGI-HXUWFJFHSA-N 0 0 499.992 2.807 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223410469 569910401 /nfs/dbraw/zinc/91/04/01/569910401.db2.gz SXBAZJZPJLSDSL-JOCHJYFZSA-N 0 0 475.611 2.649 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223431329 569911164 /nfs/dbraw/zinc/91/11/64/569911164.db2.gz LRDISULASCSZTL-HXUWFJFHSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223433665 569911300 /nfs/dbraw/zinc/91/13/00/569911300.db2.gz PCILBNHPJOAFKB-HXUWFJFHSA-N 0 0 496.029 2.976 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223458669 569912025 /nfs/dbraw/zinc/91/20/25/569912025.db2.gz HNGVMTNSNPTFNP-HXUWFJFHSA-N 0 0 489.638 2.958 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223477308 569912611 /nfs/dbraw/zinc/91/26/11/569912611.db2.gz NSSJQSBOQRSDME-NRFANRHFSA-N 0 0 459.612 2.665 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223498061 569913646 /nfs/dbraw/zinc/91/36/46/569913646.db2.gz YYFBYZLARDCMNO-HSZRJFAPSA-N 0 0 489.638 2.837 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223504806 569913860 /nfs/dbraw/zinc/91/38/60/569913860.db2.gz MVZMUAXTGDDYOJ-YUXAGFNASA-N 0 0 469.582 2.670 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223518283 569914329 /nfs/dbraw/zinc/91/43/29/569914329.db2.gz PUCFKPFJROALLO-MRXNPFEDSA-N 0 0 451.976 2.659 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223533368 569914850 /nfs/dbraw/zinc/91/48/50/569914850.db2.gz CYHLVDBAHWAZLI-GOSISDBHSA-N 0 0 463.575 2.925 40 0 JFABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223552281 569915710 /nfs/dbraw/zinc/91/57/10/569915710.db2.gz ZKKNVUSGIIGVRN-FQEVSTJZSA-N 0 0 499.633 2.987 40 0 JFABRN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3cccc4ccccc43)c2)CC1 ZINC000223560234 569915984 /nfs/dbraw/zinc/91/59/84/569915984.db2.gz RWNSUZAMIXZLLP-UHFFFAOYSA-N 0 0 453.564 2.585 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223567349 569916367 /nfs/dbraw/zinc/91/63/67/569916367.db2.gz WSONGGCBEZVUMX-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(OC)c(C)c1 ZINC000223600843 569917443 /nfs/dbraw/zinc/91/74/43/569917443.db2.gz GRCMUPCMBTWEPR-QFIPXVFZSA-N 0 0 459.612 2.962 40 0 JFABRN Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1I ZINC000223605433 569917651 /nfs/dbraw/zinc/91/76/51/569917651.db2.gz GGDCNFKVFMYBNY-JKSUJKDBSA-N 0 0 456.353 2.986 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223608101 569917766 /nfs/dbraw/zinc/91/77/66/569917766.db2.gz BJZXOKQYOCPGRG-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CSc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1C(=O)N1CCOCC1 ZINC000223610912 569917869 /nfs/dbraw/zinc/91/78/69/569917869.db2.gz RKBIYPMMJFDYLZ-UHFFFAOYSA-N 0 0 490.647 2.908 40 0 JFABRN COC(=O)c1cc(S(=O)(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)ccc1Cl ZINC000223615413 569917954 /nfs/dbraw/zinc/91/79/54/569917954.db2.gz DXPNTYSMQVXSNL-UHFFFAOYSA-N 0 0 467.887 2.672 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223615318 569917961 /nfs/dbraw/zinc/91/79/61/569917961.db2.gz ZSMSSSPUDCNYMN-IBGZPJMESA-N 0 0 459.612 2.877 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223618412 569918044 /nfs/dbraw/zinc/91/80/44/569918044.db2.gz MUXIZZQDIZPHJQ-GOSISDBHSA-N 0 0 473.595 2.517 40 0 JFABRN COc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)n2)cc1OC ZINC000223619583 569918108 /nfs/dbraw/zinc/91/81/08/569918108.db2.gz AATAQDJMOYDQOA-UHFFFAOYSA-N 0 0 472.523 2.531 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccc(OC)cc2)s1)c1ccc2c(c1)OCCO2 ZINC000223621820 569918180 /nfs/dbraw/zinc/91/81/80/569918180.db2.gz SIEXQKPXDLTFMA-UHFFFAOYSA-N 0 0 490.563 2.780 40 0 JFABRN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)CC1 ZINC000223629616 569918361 /nfs/dbraw/zinc/91/83/61/569918361.db2.gz WQWRKAHAEPXYKJ-UHFFFAOYSA-N 0 0 467.591 2.726 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223651843 569918945 /nfs/dbraw/zinc/91/89/45/569918945.db2.gz FABDFIMSUDVDAX-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223652767 569918994 /nfs/dbraw/zinc/91/89/94/569918994.db2.gz FTSMHBKUFNXCQF-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223656469 569919158 /nfs/dbraw/zinc/91/91/58/569919158.db2.gz RAOCMCCLEOWPQG-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223655680 569919180 /nfs/dbraw/zinc/91/91/80/569919180.db2.gz FNMRGCDCAYORGV-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223680476 569919851 /nfs/dbraw/zinc/91/98/51/569919851.db2.gz XJTWJHCXWPULFR-NRFANRHFSA-N 0 0 485.606 2.863 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223698845 569920367 /nfs/dbraw/zinc/92/03/67/569920367.db2.gz AUGARLZXDKFQMD-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223700373 569920416 /nfs/dbraw/zinc/92/04/16/569920416.db2.gz KQLGGAVYGIJSSZ-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN COc1cccc(N(CCCC(=O)NCc2ccc(CN3CCCC3=O)cc2)S(C)(=O)=O)c1 ZINC000223702503 569920458 /nfs/dbraw/zinc/92/04/58/569920458.db2.gz LZYQEZVNZUVBEL-UHFFFAOYSA-N 0 0 473.595 2.680 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223708415 569920685 /nfs/dbraw/zinc/92/06/85/569920685.db2.gz PTGLCZNKZJQYTE-INIZCTEOSA-N 0 0 494.013 2.862 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)s1 ZINC000223724372 569921177 /nfs/dbraw/zinc/92/11/77/569921177.db2.gz RBIGXPMOFQODFV-UHFFFAOYSA-N 0 0 472.614 2.505 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223730065 569921429 /nfs/dbraw/zinc/92/14/29/569921429.db2.gz USQUFUWTVAWWIZ-LJQANCHMSA-N 0 0 457.596 2.929 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223739787 569921722 /nfs/dbraw/zinc/92/17/22/569921722.db2.gz XQJSBDLFEHGQDL-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223740369 569921764 /nfs/dbraw/zinc/92/17/64/569921764.db2.gz USCWTBVKUWZLLH-HXUWFJFHSA-N 0 0 486.638 2.776 40 0 JFABRN COC(=O)c1ccc(OC)c(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000223753523 569922177 /nfs/dbraw/zinc/92/21/77/569922177.db2.gz XGSOVSHAGLPTJM-UHFFFAOYSA-N 0 0 456.467 2.945 40 0 JFABRN COc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1OC ZINC000223757182 569922208 /nfs/dbraw/zinc/92/22/08/569922208.db2.gz NVEQTZCGYJTHKA-UHFFFAOYSA-N 0 0 450.557 2.788 40 0 JFABRN Cc1ccccc1CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@@H](C)C(=O)NC1CCCC1 ZINC000223774976 569922939 /nfs/dbraw/zinc/92/29/39/569922939.db2.gz WXMHJAZOASSFEX-SFHVURJKSA-N 0 0 483.590 2.616 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223785463 569923215 /nfs/dbraw/zinc/92/32/15/569923215.db2.gz RBDBVRRCDRWGBC-GOSISDBHSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223786052 569923295 /nfs/dbraw/zinc/92/32/95/569923295.db2.gz RAYYFMRXXFKIDP-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN Cc1cc(C)cc(N(CCCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)S(C)(=O)=O)c1 ZINC000223823831 569924389 /nfs/dbraw/zinc/92/43/89/569924389.db2.gz QPNSFGMWYRBQDA-UHFFFAOYSA-N 0 0 493.651 2.689 40 0 JFABRN COc1cccc(N(CCCC(=O)NCc2nc(-c3ccc(C)cc3)no2)S(C)(=O)=O)c1 ZINC000223826394 569924418 /nfs/dbraw/zinc/92/44/18/569924418.db2.gz UHGOSSQFAALURK-UHFFFAOYSA-N 0 0 458.540 2.916 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223826845 569924452 /nfs/dbraw/zinc/92/44/52/569924452.db2.gz LSHVOQJIBVFXNO-OAHLLOKOSA-N 0 0 469.966 2.653 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223826905 569924488 /nfs/dbraw/zinc/92/44/88/569924488.db2.gz LSHVOQJIBVFXNO-HNNXBMFYSA-N 0 0 469.966 2.653 40 0 JFABRN COc1ccc(CN(C)C(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1OC ZINC000223839373 569924757 /nfs/dbraw/zinc/92/47/57/569924757.db2.gz DBVFYLLFOMQAQJ-UHFFFAOYSA-N 0 0 450.557 2.917 40 0 JFABRN Cc1ccc(C)c(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000223850672 569925114 /nfs/dbraw/zinc/92/51/14/569925114.db2.gz XEVLSRDVKOYCBE-IRXDYDNUSA-N 0 0 452.598 2.739 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223859254 569925383 /nfs/dbraw/zinc/92/53/83/569925383.db2.gz KVXRDGFUQZHEBS-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223860111 569925392 /nfs/dbraw/zinc/92/53/92/569925392.db2.gz OKLATCQJVHFBTD-INIZCTEOSA-N 0 0 467.538 2.674 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223860251 569925403 /nfs/dbraw/zinc/92/54/03/569925403.db2.gz UHFIBAJTBPQEHY-INIZCTEOSA-N 0 0 467.538 2.674 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000223863295 569925497 /nfs/dbraw/zinc/92/54/97/569925497.db2.gz KMTIDZQTIPPVHQ-IFXJQAMLSA-N 0 0 456.561 2.651 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000223863000 569925534 /nfs/dbraw/zinc/92/55/34/569925534.db2.gz MZRLTSLZVWZHLP-OXJNMPFZSA-N 0 0 452.598 2.821 40 0 JFABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1 ZINC000223865587 569925558 /nfs/dbraw/zinc/92/55/58/569925558.db2.gz IYXMUDNLPMNGIF-SFHVURJKSA-N 0 0 478.636 2.818 40 0 JFABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000223865932 569925583 /nfs/dbraw/zinc/92/55/83/569925583.db2.gz XDKFIVLEZXPJQP-INIZCTEOSA-N 0 0 482.599 2.648 40 0 JFABRN COc1cccc(OCCNC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1 ZINC000223868966 569925652 /nfs/dbraw/zinc/92/56/52/569925652.db2.gz OTCNXENIUKLAEX-UHFFFAOYSA-N 0 0 471.373 2.727 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc2c(c1)OCO2 ZINC000223867529 569925670 /nfs/dbraw/zinc/92/56/70/569925670.db2.gz YLMGNAQODASFTP-UHFFFAOYSA-N 0 0 466.928 2.992 40 0 JFABRN Cc1cc(N(CC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)ccc1Br ZINC000223869637 569925743 /nfs/dbraw/zinc/92/57/43/569925743.db2.gz WOMKIKXWRILUOZ-UHFFFAOYSA-N 0 0 459.337 2.858 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223871036 569925801 /nfs/dbraw/zinc/92/58/01/569925801.db2.gz DNFAZROSJGAEMS-HNNXBMFYSA-N 0 0 485.528 2.813 40 0 JFABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223881404 569926165 /nfs/dbraw/zinc/92/61/65/569926165.db2.gz BGGWRFVMCIKZDX-YWZLYKJASA-N 0 0 468.597 2.521 40 0 JFABRN Cc1cc(C)cc(N(CCCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1 ZINC000223893559 569926486 /nfs/dbraw/zinc/92/64/86/569926486.db2.gz HIZSLSIUTJXACK-UHFFFAOYSA-N 0 0 467.613 2.884 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223901093 569926672 /nfs/dbraw/zinc/92/66/72/569926672.db2.gz VRSGVRPKXMYSJI-ZDUSSCGKSA-N 0 0 498.388 2.691 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)cc1 ZINC000223912590 569927042 /nfs/dbraw/zinc/92/70/42/569927042.db2.gz BDQMLERJFNDXPE-ZDUSSCGKSA-N 0 0 480.493 2.837 40 0 JFABRN COc1cccc(N(CCCC(=O)NCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 ZINC000223919504 569927276 /nfs/dbraw/zinc/92/72/76/569927276.db2.gz KLGGOZQZNSHLAV-UHFFFAOYSA-N 0 0 450.557 2.618 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223945408 569928025 /nfs/dbraw/zinc/92/80/25/569928025.db2.gz QCPAJVIFHNJNLX-ZDUSSCGKSA-N 0 0 498.388 2.691 40 0 JFABRN COc1ccc(N(CCCC(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)S(C)(=O)=O)cc1 ZINC000223969926 569928953 /nfs/dbraw/zinc/92/89/53/569928953.db2.gz FNDOPYPXLMXUGT-UHFFFAOYSA-N 0 0 488.566 2.959 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223980175 569929289 /nfs/dbraw/zinc/92/92/89/569929289.db2.gz WBDICSRAULDFOR-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223982407 569929376 /nfs/dbraw/zinc/92/93/76/569929376.db2.gz FLPSKVXGKOTPSZ-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN CC(C)(C)c1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000223990677 569929687 /nfs/dbraw/zinc/92/96/87/569929687.db2.gz HJNQFMFBKACCQR-UHFFFAOYSA-N 0 0 462.568 2.717 40 0 JFABRN O=C(NCCOCc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000223995748 569929796 /nfs/dbraw/zinc/92/97/96/569929796.db2.gz JYYJWMQVTASKGT-HSZRJFAPSA-N 0 0 452.532 2.976 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000224002096 569930022 /nfs/dbraw/zinc/93/00/22/569930022.db2.gz JUESJTJKLRURLE-LJQANCHMSA-N 0 0 475.611 2.649 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224022349 569930839 /nfs/dbraw/zinc/93/08/39/569930839.db2.gz YOOIDBRVXDDWEW-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCCN1CCc2ccccc21 ZINC000224031177 569931239 /nfs/dbraw/zinc/93/12/39/569931239.db2.gz BCIAEXMDDBSTMM-UHFFFAOYSA-N 0 0 471.623 2.981 40 0 JFABRN CC(C)Sc1nnc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)s1 ZINC000224035813 569931385 /nfs/dbraw/zinc/93/13/85/569931385.db2.gz LATJYYNPHGXUOU-UHFFFAOYSA-N 0 0 458.587 2.952 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)s2)cc1 ZINC000224053683 569931834 /nfs/dbraw/zinc/93/18/34/569931834.db2.gz IYEKMKRZOLBJLT-UHFFFAOYSA-N 0 0 474.564 2.795 40 0 JFABRN COc1ccc(CCNC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1OC ZINC000224061784 569932057 /nfs/dbraw/zinc/93/20/57/569932057.db2.gz VCDJFVSQFWMGSP-UHFFFAOYSA-N 0 0 450.557 2.618 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224064041 569932105 /nfs/dbraw/zinc/93/21/05/569932105.db2.gz PXSBYKVQBIBWLX-FQEVSTJZSA-N 0 0 459.612 2.665 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224071460 569932387 /nfs/dbraw/zinc/93/23/87/569932387.db2.gz ITHVGLYQDWMZMV-IBGZPJMESA-N 0 0 459.612 2.611 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000224080075 569932608 /nfs/dbraw/zinc/93/26/08/569932608.db2.gz FOMJKOAOHBQNMZ-NRFANRHFSA-N 0 0 488.654 2.512 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224081496 569932685 /nfs/dbraw/zinc/93/26/85/569932685.db2.gz NSYBWBDMNINPGU-MRXNPFEDSA-N 0 0 489.569 2.692 40 0 JFABRN Cc1cccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000224085825 569932842 /nfs/dbraw/zinc/93/28/42/569932842.db2.gz DLEJEMBWMUFRLU-FQEVSTJZSA-N 0 0 459.612 2.951 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000224087019 569932890 /nfs/dbraw/zinc/93/28/90/569932890.db2.gz HEMZUERGQUFKLY-HXUWFJFHSA-N 0 0 459.612 2.683 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000224088818 569932959 /nfs/dbraw/zinc/93/29/59/569932959.db2.gz OCPQGNBGCFRKQS-IBGZPJMESA-N 0 0 477.602 2.968 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224095736 569933092 /nfs/dbraw/zinc/93/30/92/569933092.db2.gz FIGMSRDWVLFPBN-KRWDZBQOSA-N 0 0 481.565 2.920 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000224094063 569933114 /nfs/dbraw/zinc/93/31/14/569933114.db2.gz VXFBNPVIQLXCGY-IBGZPJMESA-N 0 0 487.622 2.845 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224098401 569933151 /nfs/dbraw/zinc/93/31/51/569933151.db2.gz YILPKVKZIYYFAJ-LJQANCHMSA-N 0 0 492.617 2.628 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC ZINC000224099682 569933165 /nfs/dbraw/zinc/93/31/65/569933165.db2.gz GHSGMJYGOLSWPW-KRWDZBQOSA-N 0 0 450.557 2.670 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000224106637 569933386 /nfs/dbraw/zinc/93/33/86/569933386.db2.gz VKBBDNZMWVROHC-FQEVSTJZSA-N 0 0 472.567 2.676 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224114472 569933685 /nfs/dbraw/zinc/93/36/85/569933685.db2.gz SSWYZVOSDIIYTE-QFIPXVFZSA-N 0 0 459.612 2.959 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224129392 569934019 /nfs/dbraw/zinc/93/40/19/569934019.db2.gz YUXASYJGIOIOGH-HXUWFJFHSA-N 0 0 466.003 2.904 40 0 JFABRN COc1ccccc1OC[C@H](C)NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000224132532 569934126 /nfs/dbraw/zinc/93/41/26/569934126.db2.gz KXKCHSOURGWXMD-KRWDZBQOSA-N 0 0 450.557 2.834 40 0 JFABRN Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl ZINC000224144336 569934362 /nfs/dbraw/zinc/93/43/62/569934362.db2.gz JPJQKKKKHISUOW-UHFFFAOYSA-N 0 0 452.960 2.787 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224172246 569935297 /nfs/dbraw/zinc/93/52/97/569935297.db2.gz PKNPWGINZXMISO-NRFANRHFSA-N 0 0 492.617 2.690 40 0 JFABRN Cc1ccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224201734 569936310 /nfs/dbraw/zinc/93/63/10/569936310.db2.gz BKRBHCULOYFCDZ-IBGZPJMESA-N 0 0 485.606 2.719 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224215801 569936851 /nfs/dbraw/zinc/93/68/51/569936851.db2.gz STAXJGFESRIOKW-NRFANRHFSA-N 0 0 492.617 2.690 40 0 JFABRN COc1ccccc1OCCNC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224230550 569937299 /nfs/dbraw/zinc/93/72/99/569937299.db2.gz DRAFAPZBTNUINC-XMMPIXPASA-N 0 0 482.558 2.988 40 0 JFABRN CCc1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c(Br)c1 ZINC000224234217 569937435 /nfs/dbraw/zinc/93/74/35/569937435.db2.gz OPITXSKHWJZFIY-UHFFFAOYSA-N 0 0 485.400 2.836 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224240469 569937693 /nfs/dbraw/zinc/93/76/93/569937693.db2.gz PEDZLWCXBJGGPY-QFIPXVFZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224248192 569938012 /nfs/dbraw/zinc/93/80/12/569938012.db2.gz IAJSEVOPPDJBII-OAQYLSRUSA-N 0 0 463.575 2.844 40 0 JFABRN COc1ccc(Cl)cc1N(CC(=O)NCC1(c2ccccc2)CCOCC1)S(C)(=O)=O ZINC000224265499 569938550 /nfs/dbraw/zinc/93/85/50/569938550.db2.gz VUXSTXVTXJZXGS-UHFFFAOYSA-N 0 0 466.987 2.979 40 0 JFABRN COc1ccc(CSCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000224279231 569939058 /nfs/dbraw/zinc/93/90/58/569939058.db2.gz SEEQLSXYSMKBBY-UHFFFAOYSA-N 0 0 464.609 2.908 40 0 JFABRN COc1ccc(/C=C/C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c(OC)c1OC ZINC000224280671 569939112 /nfs/dbraw/zinc/93/91/12/569939112.db2.gz ACIGEQFDWLRDFP-NTUHNPAUSA-N 0 0 490.578 2.705 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224292257 569939543 /nfs/dbraw/zinc/93/95/43/569939543.db2.gz SFKFLSMDSIASTE-QGZVFWFLSA-N 0 0 481.565 2.920 40 0 JFABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224309871 569940043 /nfs/dbraw/zinc/94/00/43/569940043.db2.gz ITCJKJMFNIDCJA-JOCHJYFZSA-N 0 0 462.568 2.832 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224367621 569942178 /nfs/dbraw/zinc/94/21/78/569942178.db2.gz WGVUWYLTRQZDDB-FQEVSTJZSA-N 0 0 493.601 2.934 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224368582 569942231 /nfs/dbraw/zinc/94/22/31/569942231.db2.gz NLULWCOVLHNVQB-IBGZPJMESA-N 0 0 467.538 2.674 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224374204 569942420 /nfs/dbraw/zinc/94/24/20/569942420.db2.gz UUAMSQYRLPYXKU-IBGZPJMESA-N 0 0 479.574 2.544 40 0 JFABRN C[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224385885 569942808 /nfs/dbraw/zinc/94/28/08/569942808.db2.gz UUDIEPXCSABMOP-QGZVFWFLSA-N 0 0 450.532 2.963 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)s1 ZINC000224397712 569943233 /nfs/dbraw/zinc/94/32/33/569943233.db2.gz BJJNXGDJHGPRJS-UHFFFAOYSA-N 0 0 464.550 2.856 40 0 JFABRN O=C(COc1ccc(Cl)cc1Cl)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224427930 569944261 /nfs/dbraw/zinc/94/42/61/569944261.db2.gz XKHBTBVWPNZWGR-UHFFFAOYSA-N 0 0 489.377 2.588 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224431904 569944354 /nfs/dbraw/zinc/94/43/54/569944354.db2.gz QCWXMMWOFMUYPL-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN Cc1ccc(S[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000224433350 569944442 /nfs/dbraw/zinc/94/44/42/569944442.db2.gz XQWIPDPVTVCQBG-SFHVURJKSA-N 0 0 464.609 2.692 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224437712 569944538 /nfs/dbraw/zinc/94/45/38/569944538.db2.gz PNJNSKUKQQTZKA-SFHVURJKSA-N 0 0 493.601 2.790 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224463298 569945269 /nfs/dbraw/zinc/94/52/69/569945269.db2.gz FWEQXIVEQFTKNF-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN COc1cc2ccccc2cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224476635 569945693 /nfs/dbraw/zinc/94/56/93/569945693.db2.gz OQCWYUWCJRLZPZ-UHFFFAOYSA-N 0 0 470.547 2.678 40 0 JFABRN COc1cccc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 ZINC000224490627 569946074 /nfs/dbraw/zinc/94/60/74/569946074.db2.gz KGUVYRZEULIWPT-NRFANRHFSA-N 0 0 462.568 2.715 40 0 JFABRN COc1cccc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 ZINC000224490670 569946077 /nfs/dbraw/zinc/94/60/77/569946077.db2.gz KGUVYRZEULIWPT-OAQYLSRUSA-N 0 0 462.568 2.715 40 0 JFABRN COc1cccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000224494712 569946224 /nfs/dbraw/zinc/94/62/24/569946224.db2.gz UVLUYGTWFUMPCA-FQEVSTJZSA-N 0 0 489.638 2.693 40 0 JFABRN O=S(=O)(c1ccc(OCCNC(=S)Nc2ccc(Cl)cc2)cc1)N1CCOCC1 ZINC000224499801 569946432 /nfs/dbraw/zinc/94/64/32/569946432.db2.gz SAQWOXTYPPWJLL-UHFFFAOYSA-N 0 0 455.989 2.726 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224529059 569947326 /nfs/dbraw/zinc/94/73/26/569947326.db2.gz ZIHGMCNTRRVWKW-QFIPXVFZSA-N 0 0 489.638 2.967 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224531120 569947462 /nfs/dbraw/zinc/94/74/62/569947462.db2.gz ARDYQBQTKRUDAH-NRFANRHFSA-N 0 0 479.574 2.544 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224535584 569947611 /nfs/dbraw/zinc/94/76/11/569947611.db2.gz YGOQFLCYUJZROP-HSZRJFAPSA-N 0 0 489.638 2.967 40 0 JFABRN Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O ZINC000224549503 569948079 /nfs/dbraw/zinc/94/80/79/569948079.db2.gz VWTLNDCHZORSNW-UHFFFAOYSA-N 0 0 466.003 2.563 40 0 JFABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)c4ccccc4)s3)n2)cc1 ZINC000224551522 569948128 /nfs/dbraw/zinc/94/81/28/569948128.db2.gz LNGXTEQZPSZVKA-UHFFFAOYSA-N 0 0 486.535 2.670 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224566978 569948735 /nfs/dbraw/zinc/94/87/35/569948735.db2.gz VNXOBDPETAYNMZ-NRFANRHFSA-N 0 0 475.611 2.713 40 0 JFABRN CSc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1C(=O)N1CCCC1 ZINC000224569402 569948937 /nfs/dbraw/zinc/94/89/37/569948937.db2.gz JITJADKNAQKFHH-UHFFFAOYSA-N 0 0 489.663 2.955 40 0 JFABRN CC[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224579232 569949354 /nfs/dbraw/zinc/94/93/54/569949354.db2.gz OVIRRWFDCGURDU-HSZRJFAPSA-N 0 0 459.612 2.688 40 0 JFABRN COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCCOc1ccc(F)cc1)=C2C ZINC000224581621 569949443 /nfs/dbraw/zinc/94/94/43/569949443.db2.gz HTCLLKBVGGIQRJ-UHFFFAOYSA-N 0 0 450.488 2.549 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224587888 569949694 /nfs/dbraw/zinc/94/96/94/569949694.db2.gz QOOSIODWNSJPHP-OAQYLSRUSA-N 0 0 496.029 2.913 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224608623 569950529 /nfs/dbraw/zinc/95/05/29/569950529.db2.gz NDOVMBFHVMUOSO-HXUWFJFHSA-N 0 0 463.575 2.578 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224636331 569951803 /nfs/dbraw/zinc/95/18/03/569951803.db2.gz BTPZNJGVMBTQAG-FFZOFVMBSA-N 0 0 459.974 2.923 40 0 JFABRN Cc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000224652997 569952243 /nfs/dbraw/zinc/95/22/43/569952243.db2.gz YLBAOKNEJGIFDA-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000224654449 569952339 /nfs/dbraw/zinc/95/23/39/569952339.db2.gz MCLNOGBJYIIQFO-SFHVURJKSA-N 0 0 493.601 2.932 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224661797 569952601 /nfs/dbraw/zinc/95/26/01/569952601.db2.gz OEWFGEQXJWPBNR-KRWDZBQOSA-N 0 0 466.003 2.904 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224696969 569953902 /nfs/dbraw/zinc/95/39/02/569953902.db2.gz WFRNUBIRQPXIAN-IBGZPJMESA-N 0 0 492.617 2.690 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000224716377 569954626 /nfs/dbraw/zinc/95/46/26/569954626.db2.gz GJXFTOHZCLKWSV-UHFFFAOYSA-N 0 0 486.421 2.908 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224718490 569954657 /nfs/dbraw/zinc/95/46/57/569954657.db2.gz MCGYFXHQHCRARG-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1C ZINC000224721669 569954705 /nfs/dbraw/zinc/95/47/05/569954705.db2.gz BFKLPZMSHOYCSJ-FQEVSTJZSA-N 0 0 459.612 2.607 40 0 JFABRN C[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224721804 569954728 /nfs/dbraw/zinc/95/47/28/569954728.db2.gz JXIPAFZPKQBTSN-KRWDZBQOSA-N 0 0 466.003 2.643 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224732435 569955272 /nfs/dbraw/zinc/95/52/72/569955272.db2.gz BWUZVSVXNYVGAP-FQEVSTJZSA-N 0 0 459.612 2.867 40 0 JFABRN CC[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224746424 569955779 /nfs/dbraw/zinc/95/57/79/569955779.db2.gz YVRQINTXHNVZRJ-HSZRJFAPSA-N 0 0 473.639 2.997 40 0 JFABRN CC[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224746379 569955831 /nfs/dbraw/zinc/95/58/31/569955831.db2.gz YVRQINTXHNVZRJ-QHCPKHFHSA-N 0 0 473.639 2.997 40 0 JFABRN Cc1cc(C)cc(N(CCCC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224748281 569955893 /nfs/dbraw/zinc/95/58/93/569955893.db2.gz WBWIEEZLOFJMPO-UHFFFAOYSA-N 0 0 473.639 2.998 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224749541 569955935 /nfs/dbraw/zinc/95/59/35/569955935.db2.gz FPHMLFRFENSJOK-AWEZNQCLSA-N 0 0 469.510 2.524 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224754842 569956110 /nfs/dbraw/zinc/95/61/10/569956110.db2.gz WEJHQCZCGRFSKJ-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224757859 569956321 /nfs/dbraw/zinc/95/63/21/569956321.db2.gz KANHTSJTTLHTBP-FQEVSTJZSA-N 0 0 489.569 2.550 40 0 JFABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224757895 569956327 /nfs/dbraw/zinc/95/63/27/569956327.db2.gz KANHTSJTTLHTBP-HXUWFJFHSA-N 0 0 489.569 2.550 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224769535 569956813 /nfs/dbraw/zinc/95/68/13/569956813.db2.gz YDARXPSSWFJDNA-IBGZPJMESA-N 0 0 492.617 2.690 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224770272 569956885 /nfs/dbraw/zinc/95/68/85/569956885.db2.gz BKOGCJVVCVFKLF-IBGZPJMESA-N 0 0 485.606 2.863 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000224815513 569958879 /nfs/dbraw/zinc/95/88/79/569958879.db2.gz SWJOXVCGZJMBBS-UHFFFAOYSA-N 0 0 468.959 2.853 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224867754 569960926 /nfs/dbraw/zinc/96/09/26/569960926.db2.gz WHBYRPZXVMBANC-OAHLLOKOSA-N 0 0 485.528 2.813 40 0 JFABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)CC1 ZINC000408594408 569965533 /nfs/dbraw/zinc/96/55/33/569965533.db2.gz RLXOIYWQXXFBMY-UHFFFAOYSA-N 0 0 455.939 2.823 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408594865 569965754 /nfs/dbraw/zinc/96/57/54/569965754.db2.gz QZCWKEMPQIMOAC-INIZCTEOSA-N 0 0 451.976 2.673 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)c1 ZINC000408594978 569965800 /nfs/dbraw/zinc/96/58/00/569965800.db2.gz DVNFPWWUKLMLPT-UHFFFAOYSA-N 0 0 485.541 2.834 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCc1ccc(Cl)cc1 ZINC000408594903 569965806 /nfs/dbraw/zinc/96/58/06/569965806.db2.gz PVZDSLCMOJRJIS-UHFFFAOYSA-N 0 0 459.351 2.710 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(I)cc2)cc1 ZINC000408595544 569966215 /nfs/dbraw/zinc/96/62/15/569966215.db2.gz QSDDTWBFAUYZLL-GFCCVEGCSA-N 0 0 474.320 2.995 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(I)cc2)cc1 ZINC000408595548 569966217 /nfs/dbraw/zinc/96/62/17/569966217.db2.gz QSDDTWBFAUYZLL-LBPRGKRZSA-N 0 0 474.320 2.995 40 0 JFABRN CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000224981877 569967033 /nfs/dbraw/zinc/96/70/33/569967033.db2.gz YIGJQSZEEXXKKQ-UHFFFAOYSA-N 0 0 456.575 2.845 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCCCc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000224982876 569967148 /nfs/dbraw/zinc/96/71/48/569967148.db2.gz LQLNJHHZQKQUAM-UHFFFAOYSA-N 0 0 450.532 2.892 40 0 JFABRN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408596998 569967164 /nfs/dbraw/zinc/96/71/64/569967164.db2.gz VMSDAFONVILMJA-CQSZACIVSA-N 0 0 459.465 2.860 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000408597505 569967510 /nfs/dbraw/zinc/96/75/10/569967510.db2.gz XCQPPAGGSBQCLE-KRWDZBQOSA-N 0 0 466.003 2.981 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224987703 569967522 /nfs/dbraw/zinc/96/75/22/569967522.db2.gz BUSMGSXZDNURDO-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000408597794 569967653 /nfs/dbraw/zinc/96/76/53/569967653.db2.gz YHOLKCDXHYIXGE-INIZCTEOSA-N 0 0 451.976 2.673 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224989757 569967665 /nfs/dbraw/zinc/96/76/65/569967665.db2.gz BXGNIMWAUVKMLU-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224991431 569967718 /nfs/dbraw/zinc/96/77/18/569967718.db2.gz RDMLWACNJONAOW-IBGZPJMESA-N 0 0 497.617 2.740 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000224993168 569967881 /nfs/dbraw/zinc/96/78/81/569967881.db2.gz OSJYAOYEWFOPKK-QZTJIDSGSA-N 0 0 489.594 2.513 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1I ZINC000224994769 569967979 /nfs/dbraw/zinc/96/79/79/569967979.db2.gz XWIZNROHCWGVAI-UHFFFAOYSA-N 0 0 474.320 2.937 40 0 JFABRN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nnc(CN3CCOCC3)n2C)c1 ZINC000408600250 569968369 /nfs/dbraw/zinc/96/83/69/569968369.db2.gz XJZUHOJECFBFNK-UHFFFAOYSA-N 0 0 480.594 2.939 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225001111 569968376 /nfs/dbraw/zinc/96/83/76/569968376.db2.gz OZOYNQRHHUQWNX-VQTJNVASSA-N 0 0 459.612 2.948 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225004115 569968582 /nfs/dbraw/zinc/96/85/82/569968582.db2.gz VHBMHJWXNHDJNO-OALUTQOASA-N 0 0 485.606 2.943 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225004041 569968620 /nfs/dbraw/zinc/96/86/20/569968620.db2.gz VHBMHJWXNHDJNO-RBUKOAKNSA-N 0 0 485.606 2.943 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225005126 569968725 /nfs/dbraw/zinc/96/87/25/569968725.db2.gz JLLWLAFQIKFARG-MSOLQXFVSA-N 0 0 471.579 2.553 40 0 JFABRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)N(CC)CC)cc3)ccc21 ZINC000225006353 569968853 /nfs/dbraw/zinc/96/88/53/569968853.db2.gz VCESVYWXUNVYHA-UHFFFAOYSA-N 0 0 465.597 2.817 40 0 JFABRN CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(C)(=O)=O)cc1 ZINC000408604696 569970507 /nfs/dbraw/zinc/97/05/07/569970507.db2.gz HRVVAAXLWILFMK-UHFFFAOYSA-N 0 0 452.554 2.827 40 0 JFABRN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)CC1 ZINC000408605006 569970616 /nfs/dbraw/zinc/97/06/16/569970616.db2.gz MJFLUOXVPNWPAC-LJQANCHMSA-N 0 0 475.611 2.746 40 0 JFABRN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)CC1 ZINC000408605003 569970631 /nfs/dbraw/zinc/97/06/31/569970631.db2.gz MJFLUOXVPNWPAC-IBGZPJMESA-N 0 0 475.611 2.746 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000225051432 569971919 /nfs/dbraw/zinc/97/19/19/569971919.db2.gz MMTZRWZIIBTWKR-FQEVSTJZSA-N 0 0 489.638 2.837 40 0 JFABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)c1 ZINC000408610778 569972578 /nfs/dbraw/zinc/97/25/78/569972578.db2.gz VWHVXVFPPIPETN-UHFFFAOYSA-N 0 0 470.503 2.920 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000408613552 569973462 /nfs/dbraw/zinc/97/34/62/569973462.db2.gz VOPVSWJKIOWHTI-UHFFFAOYSA-N 0 0 454.346 2.808 40 0 JFABRN COc1ccc(Cl)cc1N(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccccc1 ZINC000408613804 569973574 /nfs/dbraw/zinc/97/35/74/569973574.db2.gz YGESYMXOXJEGCW-UHFFFAOYSA-N 0 0 462.959 2.947 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225081388 569973762 /nfs/dbraw/zinc/97/37/62/569973762.db2.gz MPTYMFXJGSYJQA-BLKABHOGSA-N 0 0 453.583 2.968 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)cc1 ZINC000408614548 569974002 /nfs/dbraw/zinc/97/40/02/569974002.db2.gz DNBYFEHWVLELLM-XMSQKQJNSA-N 0 0 451.523 2.661 40 0 JFABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)cc1C ZINC000408614510 569974025 /nfs/dbraw/zinc/97/40/25/569974025.db2.gz DBWZLUKKXBQBBJ-NRFANRHFSA-N 0 0 478.593 2.747 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225087520 569974122 /nfs/dbraw/zinc/97/41/22/569974122.db2.gz ZHBVNISMRMLMPI-FQEVSTJZSA-N 0 0 475.611 2.795 40 0 JFABRN CCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NCCCOC)S(C)(=O)=O)cc1 ZINC000408615021 569974264 /nfs/dbraw/zinc/97/42/64/569974264.db2.gz KXRMGOCQRFIHIV-QGZVFWFLSA-N 0 0 477.583 2.645 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000225089230 569974270 /nfs/dbraw/zinc/97/42/70/569974270.db2.gz OFTZUGXWXUPTII-QHCPKHFHSA-N 0 0 487.622 2.989 40 0 JFABRN CCOc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCOC)CC3=O)cc2)cc1 ZINC000408615028 569974421 /nfs/dbraw/zinc/97/44/21/569974421.db2.gz LAAQRJZDVHSURG-SFHVURJKSA-N 0 0 469.538 2.608 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225090531 569974453 /nfs/dbraw/zinc/97/44/53/569974453.db2.gz HZFSOSUBLCJEBY-JOCHJYFZSA-N 0 0 474.627 2.633 40 0 JFABRN Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)c1 ZINC000408615066 569974447 /nfs/dbraw/zinc/97/44/47/569974447.db2.gz LMIGOGYXFMHVNR-PGRDOPGGSA-N 0 0 451.523 2.661 40 0 JFABRN CCn1c2ccc(NC(=O)[C@@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2sc1=O ZINC000225097213 569974837 /nfs/dbraw/zinc/97/48/37/569974837.db2.gz HVSWSWMUHMMZPY-CYBMUJFWSA-N 0 0 477.564 2.647 40 0 JFABRN CCOc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408615647 569974880 /nfs/dbraw/zinc/97/48/80/569974880.db2.gz BSKHVIKMXVTFAG-UHFFFAOYSA-N 0 0 460.531 2.823 40 0 JFABRN CCc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000408615573 569974928 /nfs/dbraw/zinc/97/49/28/569974928.db2.gz QUHHZZZDQMGABS-UGKGYDQZSA-N 0 0 465.550 2.915 40 0 JFABRN CCn1c2ccc(NC(=O)CN(c3ccc4c(c3)OCCO4)S(=O)(=O)CC)cc2sc1=O ZINC000225098861 569974982 /nfs/dbraw/zinc/97/49/82/569974982.db2.gz ZQTBRPQSWLFJJS-UHFFFAOYSA-N 0 0 477.564 2.649 40 0 JFABRN C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000408615947 569975064 /nfs/dbraw/zinc/97/50/64/569975064.db2.gz URNZGAHSGJBRLD-LSDHHAIUSA-N 0 0 479.455 2.573 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000408616016 569975269 /nfs/dbraw/zinc/97/52/69/569975269.db2.gz FAHNKEQJCOCRBR-OAHLLOKOSA-N 0 0 464.540 2.900 40 0 JFABRN CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)sc2c1CCC2 ZINC000408616299 569975459 /nfs/dbraw/zinc/97/54/59/569975459.db2.gz FYTISTVBQXACFO-UHFFFAOYSA-N 0 0 482.580 2.835 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2cccc(Cl)c2)cc1 ZINC000408616392 569975499 /nfs/dbraw/zinc/97/54/99/569975499.db2.gz YNNOBZPNPPXSGN-UHFFFAOYSA-N 0 0 466.003 2.682 40 0 JFABRN CCn1c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)cc2sc1=O ZINC000225114294 569975785 /nfs/dbraw/zinc/97/57/85/569975785.db2.gz ZCVMORPEHLUUHD-UHFFFAOYSA-N 0 0 474.608 2.580 40 0 JFABRN CCn1c2ccc(NS(=O)(=O)c3ccc(OC)c(N4C(=O)CCC4=O)c3)cc2sc1=O ZINC000225125256 569976570 /nfs/dbraw/zinc/97/65/70/569976570.db2.gz NKXKDANPZXLRML-UHFFFAOYSA-N 0 0 461.521 2.546 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(Br)cc1 ZINC000408618737 569976857 /nfs/dbraw/zinc/97/68/57/569976857.db2.gz FKIBFVAOYDFXFL-UHFFFAOYSA-N 0 0 455.330 2.621 40 0 JFABRN COC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000408619904 569977448 /nfs/dbraw/zinc/97/74/48/569977448.db2.gz OHXGQSOHRVCULV-CQSZACIVSA-N 0 0 456.948 2.704 40 0 JFABRN CC(C)n1c2ccc(NC(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2sc1=O ZINC000225145135 569977750 /nfs/dbraw/zinc/97/77/50/569977750.db2.gz RVSAVMYGZLEADL-UHFFFAOYSA-N 0 0 463.537 2.777 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)Cc1ccc(Cl)cc1 ZINC000408620753 569977919 /nfs/dbraw/zinc/97/79/19/569977919.db2.gz LOKDEUOXJXSXSB-VMPITWQZSA-N 0 0 462.015 2.959 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000408620732 569977975 /nfs/dbraw/zinc/97/79/75/569977975.db2.gz LDSWEWADJAKORL-UHFFFAOYSA-N 0 0 470.931 2.544 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225153881 569978554 /nfs/dbraw/zinc/97/85/54/569978554.db2.gz YDVGKOSLAKVJLL-MRXNPFEDSA-N 0 0 491.997 2.818 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225156204 569978685 /nfs/dbraw/zinc/97/86/85/569978685.db2.gz NFWCVODNVJIOIN-BHIFYINESA-N 0 0 453.583 2.970 40 0 JFABRN COc1ccc(N(CC(=O)N2CC(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)cc1OC ZINC000408623583 569979334 /nfs/dbraw/zinc/97/93/34/569979334.db2.gz SAMKIBNWNJCEMR-UHFFFAOYSA-N 0 0 481.530 2.884 40 0 JFABRN CC[C@@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000225166905 569979591 /nfs/dbraw/zinc/97/95/91/569979591.db2.gz OKKDSRUHEDJYSD-LBPRGKRZSA-N 0 0 493.032 2.948 40 0 JFABRN CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000408624460 569979699 /nfs/dbraw/zinc/97/96/99/569979699.db2.gz QICQLHSIMRJGBD-UHFFFAOYSA-N 0 0 457.596 2.835 40 0 JFABRN CC(C)n1c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCN(C)CC4)cc3)cc2sc1=O ZINC000225169098 569979760 /nfs/dbraw/zinc/97/97/60/569979760.db2.gz JBEFJFYDRVISSC-UHFFFAOYSA-N 0 0 488.635 2.973 40 0 JFABRN COC(=O)c1c(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)sc2c1CCC2 ZINC000408624734 569979823 /nfs/dbraw/zinc/97/98/23/569979823.db2.gz UCEYWVVNDYQZDE-UHFFFAOYSA-N 0 0 452.554 2.745 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccc(F)c1 ZINC000408625633 569980277 /nfs/dbraw/zinc/98/02/77/569980277.db2.gz VTDGDAXOGQUNPP-UHFFFAOYSA-N 0 0 459.465 2.959 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225189209 569981355 /nfs/dbraw/zinc/98/13/55/569981355.db2.gz URTGFMAITIBNAF-NRFANRHFSA-N 0 0 485.606 2.863 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000225194626 569981649 /nfs/dbraw/zinc/98/16/49/569981649.db2.gz GKTPSXCBQSMOIB-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000225194573 569981652 /nfs/dbraw/zinc/98/16/52/569981652.db2.gz XQRZKGHIHCTTCI-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000225194717 569981692 /nfs/dbraw/zinc/98/16/92/569981692.db2.gz VLSLGUBSVDCRJS-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408629630 569981730 /nfs/dbraw/zinc/98/17/30/569981730.db2.gz FKGKTRKSVGIEPK-HNNXBMFYSA-N 0 0 462.524 2.670 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000408631046 569982719 /nfs/dbraw/zinc/98/27/19/569982719.db2.gz ZHYRMYZLYWDKFF-UHFFFAOYSA-N 0 0 498.399 2.620 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000408631060 569982730 /nfs/dbraw/zinc/98/27/30/569982730.db2.gz ZMQRBSQZQLCOJF-UHFFFAOYSA-N 0 0 450.513 2.512 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1cccc(OC(C)C)c1 ZINC000225227312 569984100 /nfs/dbraw/zinc/98/41/00/569984100.db2.gz YCYUUIAPNRSVPO-UHFFFAOYSA-N 0 0 476.595 2.752 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccccc1-n1ccnc1C ZINC000225231441 569984403 /nfs/dbraw/zinc/98/44/03/569984403.db2.gz IKRHLRBBQPNWNA-UHFFFAOYSA-N 0 0 456.568 2.689 40 0 JFABRN COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1C(=O)N1CCC(C)CC1 ZINC000225257459 569986384 /nfs/dbraw/zinc/98/63/84/569986384.db2.gz ONTDZKBDLSNDGP-QGZVFWFLSA-N 0 0 460.552 2.686 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c(C)c1 ZINC000408636207 569986457 /nfs/dbraw/zinc/98/64/57/569986457.db2.gz YOFVTWQVZIBSMN-UHFFFAOYSA-N 0 0 480.539 2.505 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225262331 569986637 /nfs/dbraw/zinc/98/66/37/569986637.db2.gz PGZKRHKHQOATAN-NRFANRHFSA-N 0 0 463.575 2.925 40 0 JFABRN Cc1ccccc1-c1noc(CN(C)C(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)n1 ZINC000225261487 569986644 /nfs/dbraw/zinc/98/66/44/569986644.db2.gz XDKAPROBJVRUGP-MRXNPFEDSA-N 0 0 458.540 2.867 40 0 JFABRN Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NC[C@@H]1COc3ccccc3O1)O2 ZINC000225268405 569987109 /nfs/dbraw/zinc/98/71/09/569987109.db2.gz ZJYAZOGOXNEZNP-KOSHJBKYSA-N 0 0 480.542 2.908 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)Oc3ccccc32)cc1 ZINC000225268907 569987233 /nfs/dbraw/zinc/98/72/33/569987233.db2.gz FZSRWSHUSAOEAF-KOSHJBKYSA-N 0 0 496.541 2.608 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225277089 569987727 /nfs/dbraw/zinc/98/77/27/569987727.db2.gz KYNOCHHQWGYGPO-HXUWFJFHSA-N 0 0 489.569 2.694 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c(OC)c1 ZINC000408644874 569991013 /nfs/dbraw/zinc/99/10/13/569991013.db2.gz IQJLNSZNQYIYBB-CYBMUJFWSA-N 0 0 462.886 2.901 40 0 JFABRN COC(=O)c1ccc(OC)c(NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)c1 ZINC000225354378 569992603 /nfs/dbraw/zinc/99/26/03/569992603.db2.gz SZLNLCGHCADZKB-UHFFFAOYSA-N 0 0 450.513 2.675 40 0 JFABRN CN(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225367988 569993292 /nfs/dbraw/zinc/99/32/92/569993292.db2.gz AQZHLEIHNDPTGC-UHFFFAOYSA-N 0 0 472.954 2.924 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OCC)cc3)C2)cc1 ZINC000408650096 569993580 /nfs/dbraw/zinc/99/35/80/569993580.db2.gz ANBPUTQHCOXCAM-LJQANCHMSA-N 0 0 496.516 2.965 40 0 JFABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 ZINC000408650879 569993985 /nfs/dbraw/zinc/99/39/85/569993985.db2.gz CFQAOVJOUPFGFR-CYBMUJFWSA-N 0 0 464.305 2.977 40 0 JFABRN COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)CC1=O ZINC000408651263 569994183 /nfs/dbraw/zinc/99/41/83/569994183.db2.gz CXYCXVYQOFUETK-GFCCVEGCSA-N 0 0 480.304 2.677 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000225387993 569994440 /nfs/dbraw/zinc/99/44/40/569994440.db2.gz CUULJKASCRDEIY-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000408652659 569995000 /nfs/dbraw/zinc/99/50/00/569995000.db2.gz GLLMBKJMLPFOOL-ZDUSSCGKSA-N 0 0 480.304 2.677 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225401547 569995039 /nfs/dbraw/zinc/99/50/39/569995039.db2.gz VEHPNOUJQDRTIU-NRFANRHFSA-N 0 0 493.601 2.934 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000225400424 569995058 /nfs/dbraw/zinc/99/50/58/569995058.db2.gz OIMBDEPGJBZWRD-SFHVURJKSA-N 0 0 495.045 2.733 40 0 JFABRN CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000408653588 569995583 /nfs/dbraw/zinc/99/55/83/569995583.db2.gz ITBWMBYIWNQNDI-HNNXBMFYSA-N 0 0 492.315 2.871 40 0 JFABRN Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)n2)cc1 ZINC000225416500 569995783 /nfs/dbraw/zinc/99/57/83/569995783.db2.gz CQBSWGWLTMQKMJ-UHFFFAOYSA-N 0 0 450.546 2.702 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 ZINC000408654636 569996322 /nfs/dbraw/zinc/99/63/22/569996322.db2.gz KPUYHBDXTCLQDM-CQSZACIVSA-N 0 0 464.305 2.977 40 0 JFABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000408654648 569996407 /nfs/dbraw/zinc/99/64/07/569996407.db2.gz KSLRUWXZDLZMIP-AWEZNQCLSA-N 0 0 464.305 2.977 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225432473 569996531 /nfs/dbraw/zinc/99/65/31/569996531.db2.gz IEPKXWTZLHSJHL-JOCHJYFZSA-N 0 0 459.612 2.829 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 ZINC000408654988 569996591 /nfs/dbraw/zinc/99/65/91/569996591.db2.gz HDPPUMRWHCJSKE-KRWDZBQOSA-N 0 0 484.505 2.805 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225434551 569996731 /nfs/dbraw/zinc/99/67/31/569996731.db2.gz CHIPLHYSRLAAOP-RBUKOAKNSA-N 0 0 477.602 2.966 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000225437786 569996838 /nfs/dbraw/zinc/99/68/38/569996838.db2.gz RIPBSDFGTZDZFW-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225438246 569996856 /nfs/dbraw/zinc/99/68/56/569996856.db2.gz NZCUHIMGYVRIPY-VQTJNVASSA-N 0 0 489.638 2.836 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225441859 569997104 /nfs/dbraw/zinc/99/71/04/569997104.db2.gz KOPKUOVXDVSGPN-HSZRJFAPSA-N 0 0 488.654 2.676 40 0 JFABRN CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(OCC)cc3)CC2=O)cc1 ZINC000408655780 569997138 /nfs/dbraw/zinc/99/71/38/569997138.db2.gz MEOFENRGHVCDIN-QGZVFWFLSA-N 0 0 454.479 2.797 40 0 JFABRN CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1 ZINC000408655818 569997174 /nfs/dbraw/zinc/99/71/74/569997174.db2.gz MHOQEQDZTSJTLO-SFHVURJKSA-N 0 0 452.463 2.601 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225450018 569997389 /nfs/dbraw/zinc/99/73/89/569997389.db2.gz QQGXRQNTKHTYSU-WOJBJXKFSA-N 0 0 499.633 2.986 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1)Nc1ccccc1Cl ZINC000408656732 569997793 /nfs/dbraw/zinc/99/77/93/569997793.db2.gz ODUIAYMKALZDPA-CYBMUJFWSA-N 0 0 494.729 2.778 40 0 JFABRN CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1 ZINC000408656758 569997838 /nfs/dbraw/zinc/99/78/38/569997838.db2.gz OFUKYVCLCKDZHY-MRXNPFEDSA-N 0 0 488.338 2.687 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225472879 569998432 /nfs/dbraw/zinc/99/84/32/569998432.db2.gz DYOQFPIRFKEUQR-KRWDZBQOSA-N 0 0 466.003 2.902 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1 ZINC000408657859 569998539 /nfs/dbraw/zinc/99/85/39/569998539.db2.gz PMYARQIOFWKZNZ-CQSZACIVSA-N 0 0 464.305 2.977 40 0 JFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC ZINC000225479773 569998727 /nfs/dbraw/zinc/99/87/27/569998727.db2.gz GWRQFXJJLKZMBK-UHFFFAOYSA-N 0 0 462.568 2.738 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC000408658282 569998808 /nfs/dbraw/zinc/99/88/08/569998808.db2.gz QNAWHOQHSRDHBZ-AWEZNQCLSA-N 0 0 464.305 2.977 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000225487936 569999207 /nfs/dbraw/zinc/99/92/07/569999207.db2.gz ZRKNQLKVDCRREU-UHFFFAOYSA-N 0 0 477.558 2.631 40 0 JFABRN COC(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000225492053 569999603 /nfs/dbraw/zinc/99/96/03/569999603.db2.gz MJCZEMGRVDYQMU-UHFFFAOYSA-N 0 0 450.488 2.660 40 0 JFABRN COc1ccccc1OC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000225492477 569999619 /nfs/dbraw/zinc/99/96/19/569999619.db2.gz VWJYETGWFXGIBQ-MRXNPFEDSA-N 0 0 450.532 2.819 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)c1 ZINC000408659896 569999801 /nfs/dbraw/zinc/99/98/01/569999801.db2.gz SZWBIZNWEQMNLR-QGZVFWFLSA-N 0 0 484.505 2.804 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 ZINC000408661951 570001346 /nfs/dbraw/zinc/00/13/46/570001346.db2.gz OZENNCUVVCSBLU-NHCUHLMSSA-N 0 0 461.474 2.896 40 0 JFABRN COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc4ccccc43)CC2=O)cc1OC ZINC000408662727 570001912 /nfs/dbraw/zinc/00/19/12/570001912.db2.gz XOEDSABARYEXDV-SFHVURJKSA-N 0 0 491.500 2.532 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225525944 570002624 /nfs/dbraw/zinc/00/26/24/570002624.db2.gz IUOSRGAPKKTTNS-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3CN3CCOCC3)C2)cc1 ZINC000225527791 570002699 /nfs/dbraw/zinc/00/26/99/570002699.db2.gz INSBYAFBBSTINJ-HSZRJFAPSA-N 0 0 471.623 2.544 40 0 JFABRN COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cccc3ccccc32)CC1=O ZINC000408664356 570003117 /nfs/dbraw/zinc/00/31/17/570003117.db2.gz ZKILOHSJUKLGSJ-QGZVFWFLSA-N 0 0 491.500 2.532 40 0 JFABRN COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000408664551 570003256 /nfs/dbraw/zinc/00/32/56/570003256.db2.gz ZVASCWOVQQSIPF-LBPRGKRZSA-N 0 0 480.304 2.677 40 0 JFABRN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(OC)c1OC ZINC000225537081 570003591 /nfs/dbraw/zinc/00/35/91/570003591.db2.gz HAZYTNAFHNTOPI-MRXNPFEDSA-N 0 0 466.531 2.569 40 0 JFABRN COc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1OC ZINC000225540869 570004015 /nfs/dbraw/zinc/00/40/15/570004015.db2.gz ICZQYQLSRDOQSK-QGZVFWFLSA-N 0 0 450.532 2.902 40 0 JFABRN Cc1ccccc1-c1noc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000225542368 570004181 /nfs/dbraw/zinc/00/41/81/570004181.db2.gz MMYFNXCNOMPIJK-INIZCTEOSA-N 0 0 458.515 2.901 40 0 JFABRN CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000408666652 570004836 /nfs/dbraw/zinc/00/48/36/570004836.db2.gz RKQRQOSYBCZETP-UHFFFAOYSA-N 0 0 452.463 2.667 40 0 JFABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225563207 570005850 /nfs/dbraw/zinc/00/58/50/570005850.db2.gz MPRDXOVHBBCOTQ-HXUWFJFHSA-N 0 0 460.552 2.748 40 0 JFABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225563177 570005861 /nfs/dbraw/zinc/00/58/61/570005861.db2.gz MPRDXOVHBBCOTQ-FQEVSTJZSA-N 0 0 460.552 2.748 40 0 JFABRN COc1ccc2c(c1)[C@H](NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC(C)(C)O2 ZINC000225563138 570005878 /nfs/dbraw/zinc/00/58/78/570005878.db2.gz MRAWISRMXJNBEM-HXUWFJFHSA-N 0 0 460.552 2.748 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)on2)C3=O)c1 ZINC000408668674 570006073 /nfs/dbraw/zinc/00/60/73/570006073.db2.gz VLRIKKQIUJFPPT-UHFFFAOYSA-N 0 0 465.418 2.596 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225571006 570006571 /nfs/dbraw/zinc/00/65/71/570006571.db2.gz GTUJGXUXZHEAGC-MRXNPFEDSA-N 0 0 491.997 2.817 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 ZINC000408670210 570006931 /nfs/dbraw/zinc/00/69/31/570006931.db2.gz WWHAGOWRUYFVPI-WOJBJXKFSA-N 0 0 462.458 2.724 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225583782 570007512 /nfs/dbraw/zinc/00/75/12/570007512.db2.gz UCQGCAJQAFCDGH-KRWDZBQOSA-N 0 0 479.574 2.542 40 0 JFABRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)cc1 ZINC000408671892 570007939 /nfs/dbraw/zinc/00/79/39/570007939.db2.gz UJHWYUBLKLJOCO-FOQGZHGDSA-N 0 0 470.499 2.686 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1=O ZINC000408673186 570008671 /nfs/dbraw/zinc/00/86/71/570008671.db2.gz ZHBVJPFVQJHMOJ-ZDUSSCGKSA-N 0 0 464.305 2.977 40 0 JFABRN CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000225626119 570010591 /nfs/dbraw/zinc/01/05/91/570010591.db2.gz GZDOVKQSELJTQK-IBGZPJMESA-N 0 0 470.638 2.700 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(C)C ZINC000408680566 570012303 /nfs/dbraw/zinc/01/23/03/570012303.db2.gz NOPSFZCMQCUBIC-UHFFFAOYSA-N 0 0 454.570 2.640 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)c(F)c1 ZINC000408681245 570012539 /nfs/dbraw/zinc/01/25/39/570012539.db2.gz QSDJACWAJMQXJV-UHFFFAOYSA-N 0 0 463.462 2.893 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225654314 570012612 /nfs/dbraw/zinc/01/26/12/570012612.db2.gz LQOXSYYTNFRGQE-OXJNMPFZSA-N 0 0 489.569 2.692 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225656117 570012756 /nfs/dbraw/zinc/01/27/56/570012756.db2.gz XEVNQUCQNMRWIW-KRWDZBQOSA-N 0 0 479.574 2.542 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225658166 570012964 /nfs/dbraw/zinc/01/29/64/570012964.db2.gz LXICQRSOSBBEPE-KRWDZBQOSA-N 0 0 479.574 2.542 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225667166 570013436 /nfs/dbraw/zinc/01/34/36/570013436.db2.gz XWBDWOKCKYSFMK-MRXNPFEDSA-N 0 0 491.997 2.674 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225682629 570014322 /nfs/dbraw/zinc/01/43/22/570014322.db2.gz ZIRBGGIWVOXHBT-QGZVFWFLSA-N 0 0 481.565 2.920 40 0 JFABRN Cn1c2ccc(S(=O)(=O)NCc3nc(-c4cccc(Br)c4)no3)cc2sc1=O ZINC000225684288 570014500 /nfs/dbraw/zinc/01/45/00/570014500.db2.gz SBHOXXCMORLALA-UHFFFAOYSA-N 0 0 481.353 2.891 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225687737 570014704 /nfs/dbraw/zinc/01/47/04/570014704.db2.gz XSLHVUSCXWILJF-GOSISDBHSA-N 0 0 463.575 2.576 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225687833 570014736 /nfs/dbraw/zinc/01/47/36/570014736.db2.gz RJMWWNRMSXUKCB-FQEVSTJZSA-N 0 0 489.638 2.754 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225689759 570014817 /nfs/dbraw/zinc/01/48/17/570014817.db2.gz IABGWLITPXKTIH-GOSISDBHSA-N 0 0 463.575 2.576 40 0 JFABRN CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC)c1ccc(S(C)(=O)=O)cc1 ZINC000225698012 570015687 /nfs/dbraw/zinc/01/56/87/570015687.db2.gz FKBYITUOEHVRDM-MRXNPFEDSA-N 0 0 454.595 2.916 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(=O)N1CCOCC1 ZINC000408693312 570016070 /nfs/dbraw/zinc/01/60/70/570016070.db2.gz NQXGOZOCCJIBAJ-UHFFFAOYSA-N 0 0 455.330 2.731 40 0 JFABRN CC(C)n1c2ccc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2sc1=O ZINC000225706915 570016234 /nfs/dbraw/zinc/01/62/34/570016234.db2.gz BAWFDJPVYSNMJE-UHFFFAOYSA-N 0 0 475.592 2.879 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000225713310 570016825 /nfs/dbraw/zinc/01/68/25/570016825.db2.gz QJHYLPLVJYGVPS-QFIPXVFZSA-N 0 0 492.617 2.771 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000408694377 570016899 /nfs/dbraw/zinc/01/68/99/570016899.db2.gz FBMBXRMOKXUXDG-UHFFFAOYSA-N 0 0 464.540 2.984 40 0 JFABRN CCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1S(=O)(=O)N1CCCC1 ZINC000408697734 570019430 /nfs/dbraw/zinc/01/94/30/570019430.db2.gz LQLGBNHXLXIGMR-UHFFFAOYSA-N 0 0 490.534 2.695 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)s1 ZINC000225765050 570020628 /nfs/dbraw/zinc/02/06/28/570020628.db2.gz CTLPFHMUQCWYAC-UHFFFAOYSA-N 0 0 472.614 2.605 40 0 JFABRN CCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1S(=O)(=O)NC(C)C ZINC000408700145 570020980 /nfs/dbraw/zinc/02/09/80/570020980.db2.gz BEPGDCUEJAYFML-UHFFFAOYSA-N 0 0 480.539 2.828 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000408700930 570021397 /nfs/dbraw/zinc/02/13/97/570021397.db2.gz OKXVIJRQXFLNLK-UHFFFAOYSA-N 0 0 489.594 2.888 40 0 JFABRN CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OCC ZINC000408700993 570021528 /nfs/dbraw/zinc/02/15/28/570021528.db2.gz PRPVTLGZHNNKMM-UHFFFAOYSA-N 0 0 451.976 2.999 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 ZINC000408701670 570022004 /nfs/dbraw/zinc/02/20/04/570022004.db2.gz CGPPTOZXAMJZJQ-UHFFFAOYSA-N 0 0 460.508 2.605 40 0 JFABRN CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408703441 570023212 /nfs/dbraw/zinc/02/32/12/570023212.db2.gz GAJZAFDQIGTJBM-MRXNPFEDSA-N 0 0 475.567 2.733 40 0 JFABRN CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1OCC ZINC000225827235 570023763 /nfs/dbraw/zinc/02/37/63/570023763.db2.gz LKYRRENTELYMOM-UHFFFAOYSA-N 0 0 462.524 2.625 40 0 JFABRN Cc1ccc(-c2noc(CNC(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)n2)cc1 ZINC000225852456 570024928 /nfs/dbraw/zinc/02/49/28/570024928.db2.gz WKNDMGBHKAWWQR-UHFFFAOYSA-N 0 0 486.550 2.679 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000408713155 570025307 /nfs/dbraw/zinc/02/53/07/570025307.db2.gz MBYWTUHFEBWSMM-UHFFFAOYSA-N 0 0 453.520 2.984 40 0 JFABRN COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000408713696 570025595 /nfs/dbraw/zinc/02/55/95/570025595.db2.gz NOEBQWSBXPLPLY-QGZVFWFLSA-N 0 0 450.532 2.603 40 0 JFABRN CCOc1ccc(-c2noc(CN(C)C(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)n2)cc1 ZINC000225870089 570025839 /nfs/dbraw/zinc/02/58/39/570025839.db2.gz CEZPISJUFBBKLG-FQEVSTJZSA-N 0 0 458.540 2.726 40 0 JFABRN C[C@@H](C(=O)N(C)Cc1nc(-c2cccs2)no1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225871616 570025985 /nfs/dbraw/zinc/02/59/85/570025985.db2.gz VIGVEGKAEMYQSB-NSHDSACASA-N 0 0 456.496 2.889 40 0 JFABRN COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 ZINC000225875822 570026171 /nfs/dbraw/zinc/02/61/71/570026171.db2.gz PRPIBXLDSPSQAI-NSHDSACASA-N 0 0 460.603 2.849 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000225883503 570026388 /nfs/dbraw/zinc/02/63/88/570026388.db2.gz QBLUTOPAUDDOQU-IBGZPJMESA-N 0 0 476.595 2.541 40 0 JFABRN CC1CCN(c2cc(N3CCC[C@@H](C)C3)nc(NC(=S)NCCN3CCOCC3)n2)CC1 ZINC000225904007 570026791 /nfs/dbraw/zinc/02/67/91/570026791.db2.gz GRIKCCQSBVRGMN-LJQANCHMSA-N 0 0 461.680 2.568 40 0 JFABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1 ZINC000225917800 570027442 /nfs/dbraw/zinc/02/74/42/570027442.db2.gz UZGJVFOWTYTGTG-UHFFFAOYSA-N 0 0 480.594 2.896 40 0 JFABRN CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)cc1 ZINC000225938825 570028739 /nfs/dbraw/zinc/02/87/39/570028739.db2.gz DAGCPFXCCIJFAR-SPLOXXLWSA-N 0 0 464.927 2.829 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(O)c(OCC)c3)sc2=N[C@@H]1c1ccco1 ZINC000408731307 570029104 /nfs/dbraw/zinc/02/91/04/570029104.db2.gz LRXNVKAUFSVJOU-JKALPCAWSA-N 0 0 454.504 2.605 40 0 JFABRN CN(c1ccc(CC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1)S(C)(=O)=O ZINC000225975357 570030544 /nfs/dbraw/zinc/03/05/44/570030544.db2.gz ZAGGJYJAANQYDU-DEOSSOPVSA-N 0 0 493.585 2.736 40 0 JFABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCSc1nc[nH]n1 ZINC000226002499 570031979 /nfs/dbraw/zinc/03/19/79/570031979.db2.gz PVBRAVCUTLHEJL-UHFFFAOYSA-N 0 0 465.988 2.558 40 0 JFABRN COc1cc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000226020163 570033255 /nfs/dbraw/zinc/03/32/55/570033255.db2.gz LFRQZAIRPSCXJN-UHFFFAOYSA-N 0 0 456.948 2.645 40 0 JFABRN Cc1ccccc1CN(CC(=O)NCCSc1nc[nH]n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000226032003 570033524 /nfs/dbraw/zinc/03/35/24/570033524.db2.gz GGRDTVUGGFQLKH-UHFFFAOYSA-N 0 0 480.015 2.866 40 0 JFABRN CCN(CC(=O)NCCSc1n[nH]c(-c2ccccc2)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000226047980 570034243 /nfs/dbraw/zinc/03/42/43/570034243.db2.gz KINGIOYRFKYXLR-UHFFFAOYSA-N 0 0 459.597 2.699 40 0 JFABRN CCN(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000226048951 570034273 /nfs/dbraw/zinc/03/42/73/570034273.db2.gz QHRSPOOCAJCWKO-UHFFFAOYSA-N 0 0 474.004 2.548 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)Cc1ccc(Cl)cc1 ZINC000226050167 570034373 /nfs/dbraw/zinc/03/43/73/570034373.db2.gz FNOPDRIEHARUEI-UHFFFAOYSA-N 0 0 463.987 2.905 40 0 JFABRN CCN(CC(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000226056078 570034789 /nfs/dbraw/zinc/03/47/89/570034789.db2.gz HNMNQMSHBHKGRG-UHFFFAOYSA-N 0 0 454.520 2.521 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1C ZINC000226065605 570035353 /nfs/dbraw/zinc/03/53/53/570035353.db2.gz OQJXJNDJVDVACG-UHFFFAOYSA-N 0 0 497.639 2.602 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000226066168 570035367 /nfs/dbraw/zinc/03/53/67/570035367.db2.gz UXZVRDQDVZYJTH-UHFFFAOYSA-N 0 0 479.986 2.773 40 0 JFABRN CCN(CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000226070600 570035739 /nfs/dbraw/zinc/03/57/39/570035739.db2.gz DWHXKTCPGMOCFJ-UHFFFAOYSA-N 0 0 473.595 2.818 40 0 JFABRN COc1cc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000226073739 570035962 /nfs/dbraw/zinc/03/59/62/570035962.db2.gz PSJSDFMUGJNPEC-UHFFFAOYSA-N 0 0 480.558 2.911 40 0 JFABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)C4CCN(S(C)(=O)=O)CC4)cc32)cc1 ZINC000226075819 570036127 /nfs/dbraw/zinc/03/61/27/570036127.db2.gz JLKMLFFTENPVDA-UHFFFAOYSA-N 0 0 457.552 2.508 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000226084061 570036613 /nfs/dbraw/zinc/03/66/13/570036613.db2.gz DLGFQKXJSIODGH-GOSISDBHSA-N 0 0 460.552 2.840 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3c(OC)cccc3OC)C2)cc1C ZINC000226084426 570036691 /nfs/dbraw/zinc/03/66/91/570036691.db2.gz MMQPMHUFMPWRAC-QGZVFWFLSA-N 0 0 462.568 2.738 40 0 JFABRN CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000226650555 570038125 /nfs/dbraw/zinc/03/81/25/570038125.db2.gz XVLQOVRSYDPPQA-XTDOFWJNSA-N 0 0 473.787 2.624 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408777266 570040555 /nfs/dbraw/zinc/04/05/55/570040555.db2.gz XJBGBPRDSGTMLH-VLOXRPPESA-N 0 0 480.517 2.863 40 0 JFABRN CC[C@H](C)NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 ZINC000408777530 570040569 /nfs/dbraw/zinc/04/05/69/570040569.db2.gz BKSAGHXIZRZGIP-KRWDZBQOSA-N 0 0 456.568 2.594 40 0 JFABRN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCN1C(=O)S/C(=C/c3ccc(OC(F)F)cc3)C1=O)CS2 ZINC000229727595 570041183 /nfs/dbraw/zinc/04/11/83/570041183.db2.gz OYMSCMUUMQSSLT-HWQZVLEKSA-N 0 0 497.545 2.895 40 0 JFABRN CC(C)CCN1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000231620467 570046627 /nfs/dbraw/zinc/04/66/27/570046627.db2.gz OUEYSXIPPYPTFG-NRUSOEPOSA-N 0 0 459.631 2.937 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCO4)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238901742 570047718 /nfs/dbraw/zinc/04/77/18/570047718.db2.gz MJRFCSQUAHKKFK-WJBYEPDASA-N 0 0 626.567 2.693 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)occ(-c2nc(C)cs2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000238901356 570047781 /nfs/dbraw/zinc/04/77/81/570047781.db2.gz LODGFUDXZVUDFR-LUXFFAPCSA-N 0 0 589.575 2.687 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408836573 570053128 /nfs/dbraw/zinc/05/31/28/570053128.db2.gz SQBNYEGRRAYUNJ-WVWKGNOCSA-N 0 0 463.559 2.981 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(C[C@@H]2CCCO2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)no1 ZINC000245229594 570056054 /nfs/dbraw/zinc/05/60/54/570056054.db2.gz BPHBXBBOURPMFT-CZSZKKDXSA-N 0 0 498.580 2.746 40 0 JFABRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(O)cc4)N[C@](CCSC)(C(=O)OC)[C@H]3C2=O)cc1 ZINC000245229645 570056086 /nfs/dbraw/zinc/05/60/86/570056086.db2.gz CJNJMFNRNBHDNJ-PDFGSZSQSA-N 0 0 484.574 2.906 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(c2cccnc2)C(=O)[C@@H]2[C@H](C(=O)Nc3ccccc3)[C@@]3(C)C=C[C@@]12O3 ZINC000245229680 570056186 /nfs/dbraw/zinc/05/61/86/570056186.db2.gz CXXRAQWRKZUDLF-DDLMJQNMSA-N 0 0 460.534 2.680 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000245230207 570056345 /nfs/dbraw/zinc/05/63/45/570056345.db2.gz NKHFTZBGCLGXNM-ISJRUSPKSA-N 0 0 458.511 2.646 40 0 JFABRN CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000245230502 570056590 /nfs/dbraw/zinc/05/65/90/570056590.db2.gz SXLYGBGVPSJFHR-IFOBJOEFSA-N 0 0 480.517 2.716 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(c2ccccc2)C(=O)[C@H]2[C@H](C(=O)NCc3cccs3)[C@H]3C=C[C@@]12O3 ZINC000245230655 570056604 /nfs/dbraw/zinc/05/66/04/570056604.db2.gz WBERAOVVTLXGMQ-FJFBRFEOSA-N 0 0 465.575 2.634 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3OC)c(=O)n2[C@H]1c1cccs1 ZINC000408866877 570058305 /nfs/dbraw/zinc/05/83/05/570058305.db2.gz JVLSCMLNIUAARU-GTVARFKMSA-N 0 0 455.561 2.890 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)cc4)c(=O)n32)cc1OCC ZINC000408933710 570080737 /nfs/dbraw/zinc/08/07/37/570080737.db2.gz KGBDICHWCCFGJT-ZWULCIMOSA-N 0 0 494.569 2.824 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408944636 570083313 /nfs/dbraw/zinc/08/33/13/570083313.db2.gz NAWSXFKFNYGBRJ-JZVSFUAJSA-N 0 0 470.934 2.776 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408949936 570083978 /nfs/dbraw/zinc/08/39/78/570083978.db2.gz SZLMKCFSEDGIRQ-OWMRDYPQSA-N 0 0 487.965 2.729 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408949937 570084008 /nfs/dbraw/zinc/08/40/08/570084008.db2.gz SZLMKCFSEDGIRQ-ZZODWALSSA-N 0 0 487.965 2.729 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408974979 570089554 /nfs/dbraw/zinc/08/95/54/570089554.db2.gz HBTJTLRZKYEKHG-PZHBDVNGSA-N 0 0 464.543 2.903 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408980937 570090837 /nfs/dbraw/zinc/09/08/37/570090837.db2.gz GQYWJVXTBQGUMN-VVOOWDFBSA-N 0 0 492.553 2.844 40 0 JFABRN COc1cc([C@@H]2N=C(SCC(N)=O)NC(C)=C2C(=O)Nc2ccccc2)cc(OC)c1OC ZINC000408989136 570093362 /nfs/dbraw/zinc/09/33/62/570093362.db2.gz KDXIHBJGKQPSOI-FQEVSTJZSA-N 0 0 470.551 2.844 40 0 JFABRN O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CCN(Cc4cccs4)C[C@@H]13)O2 ZINC000253399964 570096388 /nfs/dbraw/zinc/09/63/88/570096388.db2.gz KGFWPCIEQGSUDS-IPJJNNNSSA-N 0 0 469.607 2.911 40 0 JFABRN COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](C1CCCC1)CC2=O ZINC000253400927 570096513 /nfs/dbraw/zinc/09/65/13/570096513.db2.gz MFCBXRZLHQNRPZ-BQGLBXTDSA-N 0 0 469.626 2.997 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccccc2)cc1OC ZINC000409002784 570096690 /nfs/dbraw/zinc/09/66/90/570096690.db2.gz ANECAZBHCXLVPH-UHFFFAOYSA-N 0 0 483.546 2.632 40 0 JFABRN O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccc(F)cc4)C[C@@H]13)O2 ZINC000253403800 570096805 /nfs/dbraw/zinc/09/68/05/570096805.db2.gz QKXPKENRKNTFBF-FIXSFTCYSA-N 0 0 479.552 2.765 40 0 JFABRN NC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000409004813 570097617 /nfs/dbraw/zinc/09/76/17/570097617.db2.gz DTPGPKOGSXLZOC-UHFFFAOYSA-N 0 0 484.405 2.908 40 0 JFABRN Cc1cccc2cc(CN(CCCO)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c12 ZINC000253500363 570101487 /nfs/dbraw/zinc/10/14/87/570101487.db2.gz HCDYZFDGSMYCGW-IRLDBZIGSA-N 0 0 454.575 2.996 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccc(Br)cc2)cc1 ZINC000409024856 570104146 /nfs/dbraw/zinc/10/41/46/570104146.db2.gz IGLQIDGZCMMHQL-UHFFFAOYSA-N 0 0 494.411 2.677 40 0 JFABRN NC(=O)C1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000409027077 570104768 /nfs/dbraw/zinc/10/47/68/570104768.db2.gz WZQAWBOQVWJRJE-UHFFFAOYSA-N 0 0 470.378 2.913 40 0 JFABRN Cc1ccc(CNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 ZINC000409029228 570105532 /nfs/dbraw/zinc/10/55/32/570105532.db2.gz XAPALCOSOXRJSL-UHFFFAOYSA-N 0 0 458.321 2.682 40 0 JFABRN CN1C(=O)/C(=C/c2cc(Br)cc(I)c2O)N(C)C1=S ZINC000409035569 570106481 /nfs/dbraw/zinc/10/64/81/570106481.db2.gz JHYIRGXKUJWYRN-WTKPLQERSA-N 0 0 453.099 2.789 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cccc(OC(C)=O)c3)sc2=N1 ZINC000409037079 570106821 /nfs/dbraw/zinc/10/68/21/570106821.db2.gz SHFMCPNZZRAKMQ-VOSMRYOYSA-N 0 0 462.527 2.724 40 0 JFABRN CC(=O)N[C@H]1C[C@@H](C(=O)[O-])[N@H+](CC2(O)CCN(c3cccc(C)c3)CC2)[C@H]1c1ccccc1 ZINC000257201720 570108378 /nfs/dbraw/zinc/10/83/78/570108378.db2.gz AITBWFWVWSQXRI-HJOGWXRNSA-N 0 0 451.567 2.731 40 0 JFABRN Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN3C(=O)CCn3c(C)cc(O)cc3=O)n2)nc1 ZINC000257202705 570108605 /nfs/dbraw/zinc/10/86/05/570108605.db2.gz AMYJAOCHYKBAQA-NRFANRHFSA-N 0 0 461.522 2.967 40 0 JFABRN CNc1cc([C@]2(C)CCCN(C(=O)c3cccc(OCCN4CCOCC4)c3)C2)nc(C)n1 ZINC000257203060 570108830 /nfs/dbraw/zinc/10/88/30/570108830.db2.gz AONAARNRHQPARU-RUZDIDTESA-N 0 0 453.587 2.732 40 0 JFABRN O=C(c1ccccc1OCCN1CCOCC1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)O2 ZINC000257204313 570109123 /nfs/dbraw/zinc/10/91/23/570109123.db2.gz ATYBXUJWRGEVJT-RUZDIDTESA-N 0 0 451.523 2.639 40 0 JFABRN CCc1cc2c(ncnc2NCCCC(=O)N2CCC[C@@]3(Cc4c(nc(N)nc4N)O3)CC2)s1 ZINC000257206148 570109728 /nfs/dbraw/zinc/10/97/28/570109728.db2.gz BCBCCMKKFIBQHY-QHCPKHFHSA-N 0 0 482.614 2.787 40 0 JFABRN CCN1C[C@H](c2cc(N3CCOCC3)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O ZINC000257215000 570112599 /nfs/dbraw/zinc/11/25/99/570112599.db2.gz COGBMCJQQMLMKL-OAHLLOKOSA-N 0 0 468.945 2.807 40 0 JFABRN Cn1cc(CCC(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCOCC3)C2)cn1 ZINC000257220740 570114267 /nfs/dbraw/zinc/11/42/67/570114267.db2.gz DLYQUKDQJRIQEC-UGKGYDQZSA-N 0 0 474.989 2.551 40 0 JFABRN COc1cccc(NC(=O)CSc2nnc(CNC(=O)COc3c(C)cccc3C)n2C)c1 ZINC000409061505 570114492 /nfs/dbraw/zinc/11/44/92/570114492.db2.gz DQNKGVKUBFEPMT-UHFFFAOYSA-N 0 0 469.567 2.867 40 0 JFABRN COC(=O)C(=Cc1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)OC ZINC000409066863 570116769 /nfs/dbraw/zinc/11/67/69/570116769.db2.gz MTNGOAQNDQXHKD-UHFFFAOYSA-N 0 0 455.282 2.946 40 0 JFABRN Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257230900 570117222 /nfs/dbraw/zinc/11/72/22/570117222.db2.gz GELLNCZNEAPHGW-REWPJTCUSA-N 0 0 454.571 2.504 40 0 JFABRN Cc1nn(C)cc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCN(C)CC2)CC1 ZINC000257230716 570117270 /nfs/dbraw/zinc/11/72/70/570117270.db2.gz GDPOOIDASPLQSN-UHFFFAOYSA-N 0 0 488.032 2.847 40 0 JFABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1c(C)cc(C)nc1=O)[C@H]2Cc1ccccc1 ZINC000257231130 570117371 /nfs/dbraw/zinc/11/73/71/570117371.db2.gz GFKAVXSMAAEGBY-CPASSRBFSA-N 0 0 462.594 2.862 40 0 JFABRN Cc1ncncc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1 ZINC000257234813 570118440 /nfs/dbraw/zinc/11/84/40/570118440.db2.gz GVEMBHAWOWHUKO-UHFFFAOYSA-N 0 0 472.973 2.989 40 0 JFABRN Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2cccc(NC(=O)CN3CCOCC3)c2)n1 ZINC000257235168 570118753 /nfs/dbraw/zinc/11/87/53/570118753.db2.gz GWTATVMDUVCNAM-HSZRJFAPSA-N 0 0 474.565 2.824 40 0 JFABRN COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)CNC(=O)c4cncc(O)c4)C3)o2)cc1 ZINC000257235427 570118769 /nfs/dbraw/zinc/11/87/69/570118769.db2.gz GXUVSTPBZYNTDA-KRWDZBQOSA-N 0 0 450.495 2.511 40 0 JFABRN CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4ccc(C)cc4)CCOCC3)CCN2C(C)=O)c1 ZINC000257238688 570119756 /nfs/dbraw/zinc/11/97/56/570119756.db2.gz HMBMQTHMUUGWKQ-XMMPIXPASA-N 0 0 463.578 2.835 40 0 JFABRN O=C(COc1ccccc1F)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257239126 570119925 /nfs/dbraw/zinc/11/99/25/570119925.db2.gz HOBDINQVRIUTJC-UGKGYDQZSA-N 0 0 456.514 2.750 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@H]3CCN(C(=O)Cc4ccccc4)C3)n2)n[nH]1 ZINC000257239263 570120130 /nfs/dbraw/zinc/12/01/30/570120130.db2.gz HOPPCJUCGXYSLI-OAQYLSRUSA-N 0 0 474.613 2.637 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@H]3CCCN(C(=O)C4CC4)CC3)n2)n[nH]1 ZINC000257246245 570121983 /nfs/dbraw/zinc/12/19/83/570121983.db2.gz ITGVFPPICMOXLX-SFHVURJKSA-N 0 0 452.607 2.585 40 0 JFABRN CN1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CN(C(=O)C(C)(C)C)CCO2)CC1 ZINC000257246500 570121997 /nfs/dbraw/zinc/12/19/97/570121997.db2.gz IUJANVABSBHHPD-HSZRJFAPSA-N 0 0 451.995 2.527 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@@H]3CCCN(C(=O)C4CC4)CC3)n2)n[nH]1 ZINC000257246244 570122044 /nfs/dbraw/zinc/12/20/44/570122044.db2.gz ITGVFPPICMOXLX-GOSISDBHSA-N 0 0 452.607 2.585 40 0 JFABRN COc1ccccc1Cc1cc(C(=O)N2C[C@@H]3OCC(=O)N(CCc4ccccc4)[C@H]3C2)ccn1 ZINC000257247028 570122229 /nfs/dbraw/zinc/12/22/29/570122229.db2.gz IXBOJELIDHXQKY-AHWVRZQESA-N 0 0 471.557 2.976 40 0 JFABRN O=C(CCCN1C(=O)CCC1=O)N1CCC2(CC1)C/C=C/CCOc1ccccc1C(=O)NC2 ZINC000257249997 570123248 /nfs/dbraw/zinc/12/32/48/570123248.db2.gz JKODJAXSUQZLOC-DAFODLJHSA-N 0 0 467.566 2.683 40 0 JFABRN CC(=O)N1[C@@H]2CCC[C@@H]3N(C(=O)Cn4c(C)cc(C)nc4=O)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257250336 570123264 /nfs/dbraw/zinc/12/32/64/570123264.db2.gz JMCQPBSHBGEYJY-RTCYWULBSA-N 0 0 462.594 2.862 40 0 JFABRN Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2C(=O)CCN2C(=O)COCC2=O)n1 ZINC000257255373 570124765 /nfs/dbraw/zinc/12/47/65/570124765.db2.gz KHEKFHRMYNXAMI-KRWDZBQOSA-N 0 0 491.470 2.574 40 0 JFABRN CNC(=O)[C@H]1CN(C(=O)c2cccc(Nc3cc(C)nc(C)n3)c2)CCN1Cc1ccccc1 ZINC000257257971 570125641 /nfs/dbraw/zinc/12/56/41/570125641.db2.gz KRVVTWPIMFVJLN-HSZRJFAPSA-N 0 0 458.566 2.910 40 0 JFABRN CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)[N@@H+](CC2(O)CCN(c3ccccc3F)CC2)[C@H]1c1ccccc1 ZINC000257258448 570125701 /nfs/dbraw/zinc/12/57/01/570125701.db2.gz KTXBHQIKKRNQNN-HVCNVCAESA-N 0 0 482.600 2.566 40 0 JFABRN O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCOC[C@H](Cc2cccc3n[nH]cc32)C1 ZINC000257259418 570126154 /nfs/dbraw/zinc/12/61/54/570126154.db2.gz KYGOFRYYJJHNKG-GOSISDBHSA-N 0 0 468.579 2.824 40 0 JFABRN CNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)C1 ZINC000257260195 570126427 /nfs/dbraw/zinc/12/64/27/570126427.db2.gz LBSRCOVKCVWSKF-DEOSSOPVSA-N 0 0 467.570 2.986 40 0 JFABRN COC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1OC ZINC000409098201 570127485 /nfs/dbraw/zinc/12/74/85/570127485.db2.gz KFKYEIWZLKSNCJ-VGOFMYFVSA-N 0 0 457.888 2.888 40 0 JFABRN CN1CCN(C(=O)C[C@H]2CN(C(=O)Cc3ccc(F)cc3)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257264340 570127725 /nfs/dbraw/zinc/12/77/25/570127725.db2.gz LTYURSDNPFEONE-RDPSFJRHSA-N 0 0 471.548 2.968 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409100163 570128145 /nfs/dbraw/zinc/12/81/45/570128145.db2.gz QIGMSKCDMJFWGN-CKNGIZQFSA-N 0 0 451.548 2.705 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409103023 570129085 /nfs/dbraw/zinc/12/90/85/570129085.db2.gz CNOBRVHZVUVELC-GFCAVMEOSA-N 0 0 462.575 2.507 40 0 JFABRN COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)CCN4C(=O)CCNC4=O)CC3)C[C@@H]1C(C)(C)O2 ZINC000257273011 570130610 /nfs/dbraw/zinc/13/06/10/570130610.db2.gz NEXBKWORURXKMH-WMZHIEFXSA-N 0 0 485.581 2.885 40 0 JFABRN CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CCCn1cnc2ccccc2c1=O ZINC000257274503 570131037 /nfs/dbraw/zinc/13/10/37/570131037.db2.gz NLIWEBZYMFHJBT-MHZLTWQESA-N 0 0 486.576 2.610 40 0 JFABRN CC(C)(NC(=O)Cc1ccccc1F)C(=O)N1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257278340 570132197 /nfs/dbraw/zinc/13/21/97/570132197.db2.gz OBVZQIFMFUKFPP-SFHVURJKSA-N 0 0 452.530 2.628 40 0 JFABRN CCCn1c2ccc(NC(=O)CN3CCN(C(C)=O)[C@H](c4ccc(OC)cc4)C3)cc2oc1=O ZINC000257284440 570133979 /nfs/dbraw/zinc/13/39/79/570133979.db2.gz PCSHYKMGRDKGJQ-QFIPXVFZSA-N 0 0 466.538 2.857 40 0 JFABRN CCOCCCNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000409115895 570133994 /nfs/dbraw/zinc/13/39/94/570133994.db2.gz IFGLRCSYRQSCFM-UHFFFAOYSA-N 0 0 450.557 2.750 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409118019 570134674 /nfs/dbraw/zinc/13/46/74/570134674.db2.gz SBEAWZHUBGTMGA-GOBJLOIFSA-N 0 0 477.517 2.568 40 0 JFABRN Cc1cc(C)n(CC(=O)N2CCC3(C[C@@H](Cc4ccccc4)N(CC(C)C)C3=O)CC2)c(=O)n1 ZINC000257291616 570135936 /nfs/dbraw/zinc/13/59/36/570135936.db2.gz QHWHSSJEXQFVET-HSZRJFAPSA-N 0 0 464.610 2.969 40 0 JFABRN Cn1cnc(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)c1 ZINC000257292409 570136253 /nfs/dbraw/zinc/13/62/53/570136253.db2.gz QLHNUWHLXSOKFR-DEOSSOPVSA-N 0 0 474.005 2.539 40 0 JFABRN O=C(CCN1CCCC1=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 ZINC000257292418 570136274 /nfs/dbraw/zinc/13/62/74/570136274.db2.gz QLIMDUYQMIJUPP-VWLOTQADSA-N 0 0 492.016 2.589 40 0 JFABRN CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257293176 570136429 /nfs/dbraw/zinc/13/64/29/570136429.db2.gz QOLFSBXWXQPASV-DEOSSOPVSA-N 0 0 479.581 2.508 40 0 JFABRN CC(=O)N1CCN(CC(=O)NCc2nc3ccccc3n2C)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257295787 570137174 /nfs/dbraw/zinc/13/71/74/570137174.db2.gz QZWBJAMBMISHKB-OAQYLSRUSA-N 0 0 484.604 2.761 40 0 JFABRN CNC(=O)c1cccc([C@H]2CN(C(=O)C3(Cc4ccccc4)CCOCC3)CCN2C(C)=O)c1 ZINC000257297223 570137623 /nfs/dbraw/zinc/13/76/23/570137623.db2.gz RGJVVEGZPCSDFQ-XMMPIXPASA-N 0 0 463.578 2.818 40 0 JFABRN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1cc(C)ccc1F)C2 ZINC000257296938 570137648 /nfs/dbraw/zinc/13/76/48/570137648.db2.gz RFCIFQFLOUUEHD-LPPUWEFUSA-N 0 0 466.557 2.873 40 0 JFABRN CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CN(Cc3ccc(F)cn3)CCO2)CC1 ZINC000257297866 570137772 /nfs/dbraw/zinc/13/77/72/570137772.db2.gz RJCMOBUGDGODGQ-DEOSSOPVSA-N 0 0 476.980 2.688 40 0 JFABRN Cc1cncc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)c1 ZINC000257300972 570138781 /nfs/dbraw/zinc/13/87/81/570138781.db2.gz RWKZPFVEIXYYFO-DEOSSOPVSA-N 0 0 459.974 2.942 40 0 JFABRN CC(C)(C)OC(=O)NCC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257304699 570139699 /nfs/dbraw/zinc/13/96/99/570139699.db2.gz SMTPQFNVCXWSRI-PXNSSMCTSA-N 0 0 496.004 2.710 40 0 JFABRN COc1ccc([C@H]2CN(C(C)=O)CCN2C(=O)c2cccc(NC(=O)c3cnn(C)c3)c2)cc1 ZINC000257306726 570140206 /nfs/dbraw/zinc/14/02/06/570140206.db2.gz SVNOZLMVNLHLQT-HSZRJFAPSA-N 0 0 461.522 2.727 40 0 JFABRN Cc1ccc(Oc2ncccc2C(=O)N2C[C@@H]3OCC(=O)N(CCc4ccccc4)[C@H]3C2)cn1 ZINC000257309647 570141250 /nfs/dbraw/zinc/14/12/50/570141250.db2.gz UBUSIPOATVLWLK-GOTSBHOMSA-N 0 0 458.518 2.872 40 0 JFABRN CC(C)n1nccc1NC(=O)CN1CCC[C@H]1c1ccnc2c(C(=O)NC3CCCC3)cnn21 ZINC000257309671 570141290 /nfs/dbraw/zinc/14/12/90/570141290.db2.gz UBXASBBBJZUKCJ-IBGZPJMESA-N 0 0 464.574 2.955 40 0 JFABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@]2(CN(CCc3ccccc3)C(=O)CO2)CC1 ZINC000257309553 570141299 /nfs/dbraw/zinc/14/12/99/570141299.db2.gz UBKABZUZGRAWKS-AREMUKBSSA-N 0 0 459.550 2.734 40 0 JFABRN CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CCN2C(C)=O)c1 ZINC000257312314 570142196 /nfs/dbraw/zinc/14/21/96/570142196.db2.gz UNILFVKCGRYEGR-XMMPIXPASA-N 0 0 463.578 2.835 40 0 JFABRN O=C(c1cccc(OCCN2CCOCC2)c1)N1CCC[C@@H](Cc2ccc3nccn3n2)CC1 ZINC000257315326 570143056 /nfs/dbraw/zinc/14/30/56/570143056.db2.gz VAVMKHSERMEIOP-OAQYLSRUSA-N 0 0 463.582 2.925 40 0 JFABRN COc1ccccc1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257315214 570143065 /nfs/dbraw/zinc/14/30/65/570143065.db2.gz VAKKHYYDKLENBV-URXFXBBRSA-N 0 0 452.551 2.783 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCN(c2ccccc2)CC1 ZINC000409138762 570143532 /nfs/dbraw/zinc/14/35/32/570143532.db2.gz HSXKWEUCICJEPL-UHFFFAOYSA-N 0 0 479.602 2.935 40 0 JFABRN Cc1c(CCC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(N)=O)C2)cnn1C ZINC000257322815 570145387 /nfs/dbraw/zinc/14/53/87/570145387.db2.gz WHNDPGCKZFEEJF-LPHOPBHVSA-N 0 0 463.376 2.595 40 0 JFABRN Cc1cc(N(C)C)nc([C@@]2(C)CCCN(C(=O)c3ccccc3OCCN3CCOCC3)C2)n1 ZINC000257325728 570146078 /nfs/dbraw/zinc/14/60/78/570146078.db2.gz WUEANIXGAGLZKG-SANMLTNESA-N 0 0 467.614 2.756 40 0 JFABRN CNC(=O)c1cccc([C@H]2CN(C(C)=O)CCN2C(=O)c2cccc(-n3nc(C)cc3C)c2)c1 ZINC000257326546 570146377 /nfs/dbraw/zinc/14/63/77/570146377.db2.gz WXPKTCXNZGLDHK-XMMPIXPASA-N 0 0 459.550 2.894 40 0 JFABRN CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2cccc(-n3nc(C)cc3C)c2)c1 ZINC000257326545 570146427 /nfs/dbraw/zinc/14/64/27/570146427.db2.gz WXPKTCXNZGLDHK-DEOSSOPVSA-N 0 0 459.550 2.894 40 0 JFABRN Cn1ccc(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)n1 ZINC000257328681 570147114 /nfs/dbraw/zinc/14/71/14/570147114.db2.gz XGRSTGVRLGYTFZ-DEOSSOPVSA-N 0 0 474.005 2.539 40 0 JFABRN CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257341063 570150633 /nfs/dbraw/zinc/15/06/33/570150633.db2.gz ZIRPQZQUHLXUGZ-FNHONLOCSA-N 0 0 487.597 2.921 40 0 JFABRN CC(=O)N[C@@H]1CO[C@@H]2CCC[N@H+](Cc3ccc(OCCn4nc(C)cc4C)cc3)[C@@H]2C[C@@]1(C)O ZINC000257341300 570150671 /nfs/dbraw/zinc/15/06/71/570150671.db2.gz ZJTQMTYAJDESSG-VEYUFSJPSA-N 0 0 470.614 2.588 40 0 JFABRN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(OC)c1 ZINC000409157200 570150959 /nfs/dbraw/zinc/15/09/59/570150959.db2.gz UYQHYVZYQCHOMZ-UHFFFAOYSA-N 0 0 469.567 2.905 40 0 JFABRN COC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)c1 ZINC000409157628 570151047 /nfs/dbraw/zinc/15/10/47/570151047.db2.gz VYPYRFCIVIOOBD-UHFFFAOYSA-N 0 0 453.524 2.571 40 0 JFABRN COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1 ZINC000409163452 570152660 /nfs/dbraw/zinc/15/26/60/570152660.db2.gz RTOAQZPTYVFSOJ-WQRHYEAKSA-N 0 0 456.476 2.922 40 0 JFABRN CCOc1ccccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409168253 570154011 /nfs/dbraw/zinc/15/40/11/570154011.db2.gz PIGZGIDMONFTSK-UHFFFAOYSA-N 0 0 479.986 2.658 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260730528 570155542 /nfs/dbraw/zinc/15/55/42/570155542.db2.gz JPDQBIALRQBEIM-LJQANCHMSA-N 0 0 459.612 2.957 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000260734224 570155601 /nfs/dbraw/zinc/15/56/01/570155601.db2.gz GWZMQGGEAGNPPH-AEFFLSMTSA-N 0 0 462.568 2.991 40 0 JFABRN COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000260734230 570155632 /nfs/dbraw/zinc/15/56/32/570155632.db2.gz GWZMQGGEAGNPPH-WMZOPIPTSA-N 0 0 462.568 2.991 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 ZINC000260737296 570155823 /nfs/dbraw/zinc/15/58/23/570155823.db2.gz MABLUQGXHQSCEK-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN CN([C@H](C(=O)Nc1ccccc1C(=O)NCc1cccnc1)c1ccccc1)S(C)(=O)=O ZINC000260741124 570156021 /nfs/dbraw/zinc/15/60/21/570156021.db2.gz GKJPFHGSADWSRA-NRFANRHFSA-N 0 0 452.536 2.583 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000260746038 570156222 /nfs/dbraw/zinc/15/62/22/570156222.db2.gz QLWYZOUEENAEFT-IERDGZPVSA-N 0 0 450.557 2.832 40 0 JFABRN Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260757896 570156664 /nfs/dbraw/zinc/15/66/64/570156664.db2.gz SHLXZXITKXCSOK-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 ZINC000260774428 570157840 /nfs/dbraw/zinc/15/78/40/570157840.db2.gz XEVNQUCQNMRWIW-QGZVFWFLSA-N 0 0 479.574 2.542 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)COc2ccc(C)c(C)c2)cc1OC ZINC000260813193 570159120 /nfs/dbraw/zinc/15/91/20/570159120.db2.gz QKPXHDIEFWXOIK-QGZVFWFLSA-N 0 0 450.557 2.525 40 0 JFABRN CN([C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1)S(C)(=O)=O ZINC000260815287 570159144 /nfs/dbraw/zinc/15/91/44/570159144.db2.gz VMFNAQOEZIBRTL-NRFANRHFSA-N 0 0 479.624 2.823 40 0 JFABRN C[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc2c(c1)OCCO2 ZINC000260826478 570159281 /nfs/dbraw/zinc/15/92/81/570159281.db2.gz BKGIACOSFBGUIV-CWTRNNRKSA-N 0 0 452.916 2.516 40 0 JFABRN C[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc2c(c1)OCCO2 ZINC000260826479 570159356 /nfs/dbraw/zinc/15/93/56/570159356.db2.gz BKGIACOSFBGUIV-HXPMCKFVSA-N 0 0 452.916 2.516 40 0 JFABRN CN(CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000260828121 570159462 /nfs/dbraw/zinc/15/94/62/570159462.db2.gz LDNPGIHQWSODQW-HSZRJFAPSA-N 0 0 497.548 2.557 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c2ccccc2O1 ZINC000260833398 570159603 /nfs/dbraw/zinc/15/96/03/570159603.db2.gz WEWZHXIJWJHLOC-RXVVDRJESA-N 0 0 472.563 2.671 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC)S(C)(=O)=O ZINC000260860666 570161142 /nfs/dbraw/zinc/16/11/42/570161142.db2.gz PTWDBIQXAKPGMB-HXUWFJFHSA-N 0 0 489.638 2.837 40 0 JFABRN CCc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260863253 570161171 /nfs/dbraw/zinc/16/11/71/570161171.db2.gz YKYQMWUUMADIJN-LJQANCHMSA-N 0 0 489.638 2.967 40 0 JFABRN Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260866453 570161279 /nfs/dbraw/zinc/16/12/79/570161279.db2.gz JJMWWPSMXCWNHS-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260865954 570161283 /nfs/dbraw/zinc/16/12/83/570161283.db2.gz CXWNNKLUUFHAJQ-GOSISDBHSA-N 0 0 493.601 2.790 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260875694 570161291 /nfs/dbraw/zinc/16/12/91/570161291.db2.gz GUVCJEDIRZGLQC-LJQANCHMSA-N 0 0 477.602 2.944 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260879628 570161426 /nfs/dbraw/zinc/16/14/26/570161426.db2.gz NDJMXDSOUQXVCO-QGZVFWFLSA-N 0 0 479.574 2.542 40 0 JFABRN COc1ccc(OC)c(N([C@H](C)C(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000260885930 570161575 /nfs/dbraw/zinc/16/15/75/570161575.db2.gz AZPYPOKBMUOUEH-QGZVFWFLSA-N 0 0 450.557 2.670 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)sc(=O)n4C)C2)cc1 ZINC000260894829 570162180 /nfs/dbraw/zinc/16/21/80/570162180.db2.gz FWKIDJHREOMIMN-AWEZNQCLSA-N 0 0 461.565 2.648 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000260899491 570162593 /nfs/dbraw/zinc/16/25/93/570162593.db2.gz ODQRTYUSEOMNRD-OALUTQOASA-N 0 0 492.617 2.771 40 0 JFABRN COc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000260901774 570162779 /nfs/dbraw/zinc/16/27/79/570162779.db2.gz NTYIODFKKKYCHH-SJORKVTESA-N 0 0 450.532 2.819 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260905909 570163163 /nfs/dbraw/zinc/16/31/63/570163163.db2.gz PMKTTZBAFYBJHK-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260908832 570163182 /nfs/dbraw/zinc/16/31/82/570163182.db2.gz PWKUFEZFZXKLNO-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000260907993 570163206 /nfs/dbraw/zinc/16/32/06/570163206.db2.gz VVGUMABBPYFCEO-LAUBAEHRSA-N 0 0 482.599 2.897 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000260911781 570163453 /nfs/dbraw/zinc/16/34/53/570163453.db2.gz QNXPALOVEBBFOO-MSOLQXFVSA-N 0 0 463.575 2.924 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)c2ccccc2)cc1OC ZINC000260913014 570163521 /nfs/dbraw/zinc/16/35/21/570163521.db2.gz ZLARWYNBOALXDY-IBGZPJMESA-N 0 0 498.557 2.855 40 0 JFABRN Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NC[C@H]1COc3ccccc3O1)O2 ZINC000260913007 570163531 /nfs/dbraw/zinc/16/35/31/570163531.db2.gz ZJYAZOGOXNEZNP-MHECFPHRSA-N 0 0 480.542 2.908 40 0 JFABRN C[C@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000260917443 570163949 /nfs/dbraw/zinc/16/39/49/570163949.db2.gz DIBHRAZDPOQAFZ-KBPBESRZSA-N 0 0 458.989 2.775 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000260926851 570164766 /nfs/dbraw/zinc/16/47/66/570164766.db2.gz VJVIATVSPLBZHC-LJQANCHMSA-N 0 0 475.611 2.651 40 0 JFABRN Cc1cc(Br)c(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1C ZINC000409200623 570165070 /nfs/dbraw/zinc/16/50/70/570165070.db2.gz IQWRQAKUWFHBRP-UHFFFAOYSA-N 0 0 454.394 2.757 40 0 JFABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000260937232 570165328 /nfs/dbraw/zinc/16/53/28/570165328.db2.gz PRKGYOJJYBCMMG-ZIAGYGMSSA-N 0 0 489.015 2.784 40 0 JFABRN CCOc1ccc(N([C@H](CC)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000260937195 570165358 /nfs/dbraw/zinc/16/53/58/570165358.db2.gz PNLXVINUXSCWEP-HRAATJIYSA-N 0 0 482.624 2.911 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000260939178 570165549 /nfs/dbraw/zinc/16/55/49/570165549.db2.gz QOEWJLGNHZYKKY-MJGOQNOKSA-N 0 0 464.609 2.677 40 0 JFABRN CCCCOC(=O)c1cc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)ccc1Cl ZINC000409202893 570166164 /nfs/dbraw/zinc/16/61/64/570166164.db2.gz VCNBIDQDCMHYSV-UHFFFAOYSA-N 0 0 482.006 2.988 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000260974702 570166345 /nfs/dbraw/zinc/16/63/45/570166345.db2.gz NDWBGYCCWSYVLC-PMACEKPBSA-N 0 0 489.638 2.836 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000260979909 570166525 /nfs/dbraw/zinc/16/65/25/570166525.db2.gz NYBRHLCZPJHKDW-UXHICEINSA-N 0 0 489.638 2.956 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000261003387 570166665 /nfs/dbraw/zinc/16/66/65/570166665.db2.gz SBEQCZVMPVFKCB-MOPGFXCFSA-N 0 0 477.602 2.966 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000261001242 570166721 /nfs/dbraw/zinc/16/67/21/570166721.db2.gz RQUYMWZPVGTQDW-MSOLQXFVSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)cc1OC ZINC000409205007 570166909 /nfs/dbraw/zinc/16/69/09/570166909.db2.gz FFSLMDRROGXIBL-UHFFFAOYSA-N 0 0 462.568 2.662 40 0 JFABRN NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1 ZINC000409212058 570170345 /nfs/dbraw/zinc/17/03/45/570170345.db2.gz LRFUZXGDJFIVQO-AUWJEWJLSA-N 0 0 465.409 2.643 40 0 JFABRN CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2ccccn21 ZINC000306128318 570178213 /nfs/dbraw/zinc/17/82/13/570178213.db2.gz GWZGZQVSDGWFJU-OAQYLSRUSA-N 0 0 474.565 2.751 40 0 JFABRN Cc1ccc(-c2nnc3n(c2=O)CCC32CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000306128003 570178235 /nfs/dbraw/zinc/17/82/35/570178235.db2.gz GNOXJAIZSKFSIH-UHFFFAOYSA-N 0 0 450.564 2.881 40 0 JFABRN CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc1OC ZINC000409233411 570178730 /nfs/dbraw/zinc/17/87/30/570178730.db2.gz RZTWMNLTBKBDII-XDHOZWIPSA-N 0 0 481.505 2.731 40 0 JFABRN O=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1)N1CCOCC1 ZINC000409240900 570181905 /nfs/dbraw/zinc/18/19/05/570181905.db2.gz VHHCQWYNLCMCAR-MOSHPQCFSA-N 0 0 455.898 2.671 40 0 JFABRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)cc(OC)c2O)C1=O ZINC000409241476 570182148 /nfs/dbraw/zinc/18/21/48/570182148.db2.gz NQOVJSVWQLOLFN-RIYZIHGNSA-N 0 0 476.283 2.703 40 0 JFABRN OCCNc1nc(Nc2ccc(I)cc2Cl)cc(-c2cccnc2)n1 ZINC000329030378 570182374 /nfs/dbraw/zinc/18/23/74/570182374.db2.gz QEEFVRXIYSKNTH-UHFFFAOYSA-N 0 0 467.698 2.788 40 0 JFABRN C[C@@H](CO)Nc1nc(Nc2ccc(I)cc2F)cc(-c2cccnc2)n1 ZINC000329033342 570182535 /nfs/dbraw/zinc/18/25/35/570182535.db2.gz QTSSMPHUSRJNFB-NSHDSACASA-N 0 0 465.270 2.662 40 0 JFABRN C[C@]1(F)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O ZINC000334163720 570185236 /nfs/dbraw/zinc/18/52/36/570185236.db2.gz OUDQYAYIRAUNLO-NAOSLSSXSA-N 0 0 468.437 2.657 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccc(I)cc1 ZINC000409262435 570187837 /nfs/dbraw/zinc/18/78/37/570187837.db2.gz DPCRSBVQTFLWEV-UHFFFAOYSA-N 0 0 466.247 2.974 40 0 JFABRN CCc1nnc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccc(Cl)cc2)s1 ZINC000408544402 570192586 /nfs/dbraw/zinc/19/25/86/570192586.db2.gz IIOVBZHTJOOMPV-UHFFFAOYSA-N 0 0 480.019 2.898 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408547844 570193927 /nfs/dbraw/zinc/19/39/27/570193927.db2.gz NTUCYWGTDGCKIG-UHFFFAOYSA-N 0 0 473.639 2.644 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)CC1 ZINC000408548737 570194340 /nfs/dbraw/zinc/19/43/40/570194340.db2.gz UGHYBYWACLGRIR-UHFFFAOYSA-N 0 0 472.778 2.714 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000408556896 570197790 /nfs/dbraw/zinc/19/77/90/570197790.db2.gz FFKXOUILGQZNFJ-IBGZPJMESA-N 0 0 475.586 2.974 40 0 JFABRN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c(OC)c1 ZINC000408557787 570198477 /nfs/dbraw/zinc/19/84/77/570198477.db2.gz HTWOBHMHSNXMRI-OAHLLOKOSA-N 0 0 464.540 2.760 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1 ZINC000408559323 570199674 /nfs/dbraw/zinc/19/96/74/570199674.db2.gz WNEJJJNQBKNLGP-FQEVSTJZSA-N 0 0 459.568 2.541 40 0 JFABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000409319741 570200862 /nfs/dbraw/zinc/20/08/62/570200862.db2.gz LFAFFWBZVQGROA-KRWDZBQOSA-N 0 0 495.623 2.663 40 0 JFABRN COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000408562401 570201766 /nfs/dbraw/zinc/20/17/66/570201766.db2.gz ZNIFYZAJLIAXJI-OAHLLOKOSA-N 0 0 464.540 2.760 40 0 JFABRN CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccccc1C(=O)OC ZINC000409329899 570203677 /nfs/dbraw/zinc/20/36/77/570203677.db2.gz IOAIHWDLJURVQA-UHFFFAOYSA-N 0 0 453.524 2.745 40 0 JFABRN CCOc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)cc1 ZINC000408580562 570206632 /nfs/dbraw/zinc/20/66/32/570206632.db2.gz RGRJCZOQCVWXML-WZONZLPQSA-N 0 0 481.549 2.751 40 0 JFABRN CCOc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)cc1 ZINC000408580559 570206641 /nfs/dbraw/zinc/20/66/41/570206641.db2.gz RGRJCZOQCVWXML-JPYJTQIMSA-N 0 0 481.549 2.751 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)N1CCCC1 ZINC000408586878 570208283 /nfs/dbraw/zinc/20/82/83/570208283.db2.gz CRZQESAJNJSXRP-UHFFFAOYSA-N 0 0 472.567 2.550 40 0 JFABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc(C(=O)OC)c1 ZINC000408587317 570208328 /nfs/dbraw/zinc/20/83/28/570208328.db2.gz BLABVSDMJYYBIW-HNNXBMFYSA-N 0 0 492.550 2.600 40 0 JFABRN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408587556 570208382 /nfs/dbraw/zinc/20/83/82/570208382.db2.gz BLICCEAGAIZCPA-SFHVURJKSA-N 0 0 481.574 2.580 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1Cl ZINC000408588164 570208489 /nfs/dbraw/zinc/20/84/89/570208489.db2.gz CSRMTASPNORGRY-LBPRGKRZSA-N 0 0 498.941 2.617 40 0 JFABRN CCOCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000408588129 570208503 /nfs/dbraw/zinc/20/85/03/570208503.db2.gz CLFJQYOLFWYHJL-LJQANCHMSA-N 0 0 469.401 2.882 40 0 JFABRN CCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408588901 570208657 /nfs/dbraw/zinc/20/86/57/570208657.db2.gz DAQQQOSZJNLQKP-UHFFFAOYSA-N 0 0 467.975 2.602 40 0 JFABRN COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1OC ZINC000408589979 570208919 /nfs/dbraw/zinc/20/89/19/570208919.db2.gz INUREAZXMZXODG-UHFFFAOYSA-N 0 0 476.595 2.925 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000408590965 570209138 /nfs/dbraw/zinc/20/91/38/570209138.db2.gz IEYDLFLWQDGNSP-CQSZACIVSA-N 0 0 455.939 2.503 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC ZINC000408591076 570209160 /nfs/dbraw/zinc/20/91/60/570209160.db2.gz IQXUVVSFNCREAB-NSHDSACASA-N 0 0 458.920 2.680 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000408591372 570209205 /nfs/dbraw/zinc/20/92/05/570209205.db2.gz LQJJGARYMBTMNL-UHFFFAOYSA-N 0 0 454.548 2.896 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)C2)cc1 ZINC000408592201 570209386 /nfs/dbraw/zinc/20/93/86/570209386.db2.gz KOKOLUZTEQGVER-DXSBJVNVSA-N 0 0 483.634 2.954 40 0 JFABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408592921 570209628 /nfs/dbraw/zinc/20/96/28/570209628.db2.gz MHMIATUVQGCZKB-JXMROGBWSA-N 0 0 471.623 2.918 40 0 JFABRN COC(=O)c1c(C)c(C(=O)N2CCOCC2)sc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000872041 193937588 /nfs/dbraw/zinc/93/75/88/193937588.db2.gz YIXZXIHUFWHHCK-UHFFFAOYSA-N 0 0 478.523 2.594 40 0 JFABRN Cc1ccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2c1 ZINC000000924860 193976204 /nfs/dbraw/zinc/97/62/04/193976204.db2.gz ZRHNAXXVDXHFFX-LJQANCHMSA-N 0 0 470.547 2.978 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000926225 193978422 /nfs/dbraw/zinc/97/84/22/193978422.db2.gz SMJCQOVTSAOXTE-UHFFFAOYSA-N 0 0 464.501 2.728 40 0 JFABRN Cc1ccc(Cn2c(SCC(=O)N(C(C)C)C(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000930509 193982293 /nfs/dbraw/zinc/98/22/93/193982293.db2.gz YWWABJOHJQQWBH-UHFFFAOYSA-N 0 0 457.600 2.528 40 0 JFABRN Cn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000931303 193983215 /nfs/dbraw/zinc/98/32/15/193983215.db2.gz VMCJBYOKXRANAM-UHFFFAOYSA-N 0 0 483.619 2.948 40 0 JFABRN Cn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000931301 193983239 /nfs/dbraw/zinc/98/32/39/193983239.db2.gz UDTVWLAPBTUXSE-UHFFFAOYSA-N 0 0 463.629 2.761 40 0 JFABRN COc1ccc(C)cc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000001222960 194074926 /nfs/dbraw/zinc/07/49/26/194074926.db2.gz PZVHUJQGLHTEMA-UHFFFAOYSA-N 0 0 497.552 2.669 40 0 JFABRN CC1CCN(S(=O)(=O)c2ccc(-c3nnc(SCC(=O)N4CCCC4)o3)cc2)CC1 ZINC000001330193 194089357 /nfs/dbraw/zinc/08/93/57/194089357.db2.gz XHBDRZLNJKPPDH-UHFFFAOYSA-N 0 0 450.586 2.872 40 0 JFABRN CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2)CC1 ZINC000001261998 194080790 /nfs/dbraw/zinc/08/07/90/194080790.db2.gz UOISZETURVOUAF-UHFFFAOYSA-N 0 0 485.347 2.625 40 0 JFABRN O=C(CSc1nnc2n(CC(=O)N3CCCC3)c3ccccc3n12)Nc1ccc2c(c1)OCO2 ZINC000001325747 194086717 /nfs/dbraw/zinc/08/67/17/194086717.db2.gz GGQZBEVSXSHIMU-UHFFFAOYSA-N 0 0 478.534 2.766 40 0 JFABRN COc1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)C2)cc1 ZINC000001334631 194093397 /nfs/dbraw/zinc/09/33/97/194093397.db2.gz IBNZIWDWHMOWGX-QGZVFWFLSA-N 0 0 462.485 2.730 40 0 JFABRN COc1ccc(S(=O)(=O)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C[C@@H]2COCCO2)cc1 ZINC000001335295 194093889 /nfs/dbraw/zinc/09/38/89/194093889.db2.gz HWPZEHGJFXNBFU-HXUWFJFHSA-N 0 0 472.563 2.760 40 0 JFABRN CC(=O)c1ccc(S(=O)(=O)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C[C@@H]2COCCO2)cc1 ZINC000001335311 194093936 /nfs/dbraw/zinc/09/39/36/194093936.db2.gz RIAJUGVQGWFZKZ-OAQYLSRUSA-N 0 0 484.574 2.954 40 0 JFABRN CC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C[C@H]2COCCO2)cc1 ZINC000001335252 194094052 /nfs/dbraw/zinc/09/40/52/194094052.db2.gz HIQGLNCSRWWFAQ-QFIPXVFZSA-N 0 0 484.574 2.954 40 0 JFABRN COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000001353728 194100148 /nfs/dbraw/zinc/10/01/48/194100148.db2.gz YLYSSZBEAAYGEV-UHFFFAOYSA-N 0 0 478.480 2.935 40 0 JFABRN COc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)C2)c(OC)c1 ZINC000001334146 194093047 /nfs/dbraw/zinc/09/30/47/194093047.db2.gz NXVJWSANKSYSGH-SFHVURJKSA-N 0 0 488.548 2.908 40 0 JFABRN O=C(c1ccccc1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)CC1 ZINC000001359416 194101714 /nfs/dbraw/zinc/10/17/14/194101714.db2.gz LHDRRONDBUJZGL-UHFFFAOYSA-N 0 0 482.562 2.777 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCO)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001376025 194110577 /nfs/dbraw/zinc/11/05/77/194110577.db2.gz BKYSAWYCHWDWEV-NRFANRHFSA-N 0 0 452.515 2.500 40 0 JFABRN COC(=O)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccccc4Cl)c(=O)n32)cc1 ZINC000001466932 194124768 /nfs/dbraw/zinc/12/47/68/194124768.db2.gz UMBFZIIHIIOXSR-JKALPCAWSA-N 0 0 482.945 2.848 40 0 JFABRN CCc1cccc(C(C)C)c1NC(=O)C(=O)C(=C(O)C(=O)OC)c1nc2ccccc2[nH]c1=O ZINC000001629298 194129817 /nfs/dbraw/zinc/12/98/17/194129817.db2.gz QGURYSGOPFGJIB-GOSISDBHSA-N 0 0 463.490 2.642 40 0 JFABRN O=C(CNc1ncco1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CNc3ncco3)cc2)cc1 ZINC000001670245 194131055 /nfs/dbraw/zinc/13/10/55/194131055.db2.gz RPKOHKQZDIKLQW-UHFFFAOYSA-N 0 0 496.505 2.597 40 0 JFABRN CCn1c(SCC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)nnc1-c1ccncc1 ZINC000003501753 194333617 /nfs/dbraw/zinc/33/36/17/194333617.db2.gz QNWPOVPMKFWKPU-UHFFFAOYSA-N 0 0 455.496 2.664 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccccc3)C2)cc1 ZINC000003841318 194363258 /nfs/dbraw/zinc/36/32/58/194363258.db2.gz IOWZRFGTJDNOFP-PKOBYXMFSA-N 0 0 479.558 2.917 40 0 biogenic,in-vitro JFABRN CCCS(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000003841420 194363551 /nfs/dbraw/zinc/36/35/51/194363551.db2.gz AWSLMGBGVILKBX-FUHWJXTLSA-N 0 0 472.567 2.854 40 0 biogenic,in-vitro JFABRN O=c1c(NS(=O)(=O)Cc2ccccc2)ccc2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1 ZINC000003841453 194363605 /nfs/dbraw/zinc/36/36/05/194363605.db2.gz QRULNPCAMDCDOC-VQTJNVASSA-N 0 0 499.614 2.598 40 0 biogenic,in-vitro JFABRN CC(C)(C)NC(=O)[C@H]1N(c2cccnc2)C(=O)[C@@H]2[C@H](C(=O)Nc3ccccc3F)[C@@]3(C)C=C[C@]21O3 ZINC000004083304 194376268 /nfs/dbraw/zinc/37/62/68/194376268.db2.gz JSWKVDFMYAQIAI-IKOQJJOSSA-N 0 0 478.524 2.819 40 0 JFABRN CCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCOC)c1ccc(OC)cc1OC ZINC000004410932 194389244 /nfs/dbraw/zinc/38/92/44/194389244.db2.gz UHSPVRWUEAEPJU-DEOSSOPVSA-N 0 0 483.569 2.581 40 0 JFABRN COCC(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)Nc1nccs1 ZINC000004222474 194385069 /nfs/dbraw/zinc/38/50/69/194385069.db2.gz BLYDVMWCEBPUAR-DPNDITPXSA-N 0 0 494.639 2.629 40 0 biogenic,in-vitro JFABRN CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](n4nnnc4SC4CCCC4)CO[C@H]23)cc1 ZINC000004259399 194386504 /nfs/dbraw/zinc/38/65/04/194386504.db2.gz RSPVLQZNGJQBPU-WJFTUGDTSA-N 0 0 459.528 2.866 40 0 biogenic,in-vitro JFABRN COCCNC(=O)[C@H](c1ccco1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 ZINC000004373343 194388348 /nfs/dbraw/zinc/38/83/48/194388348.db2.gz LGDWWAFWVFJEQE-DEOSSOPVSA-N 0 0 477.521 2.566 40 0 JFABRN CCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCOC)c1ccc(OC)cc1 ZINC000004373423 194388381 /nfs/dbraw/zinc/38/83/81/194388381.db2.gz WTZMVICAJFJUBD-HSZRJFAPSA-N 0 0 453.543 2.573 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1OCC ZINC000004388965 194388954 /nfs/dbraw/zinc/38/89/54/194388954.db2.gz DNKPWGWSAXYBOD-DEOSSOPVSA-N 0 0 499.564 2.600 40 0 JFABRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(C)=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000004683019 194393560 /nfs/dbraw/zinc/39/35/60/194393560.db2.gz SASVNKPCTLROPQ-QWIYEXKTSA-N 0 0 456.447 2.980 40 0 biogenic JFABRN COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](n4nnnc4SCc4ccco4)CO[C@H]23)cc1 ZINC000005396838 194405558 /nfs/dbraw/zinc/40/55/58/194405558.db2.gz PTPUJGHDDQLGLV-BSDSXHPESA-N 0 0 459.484 2.523 40 0 biogenic,in-vitro JFABRN CC(=O)OCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 ZINC000006073875 194411286 /nfs/dbraw/zinc/41/12/86/194411286.db2.gz HULUXVQLCWAMFI-YVLHZVERSA-N 0 0 475.295 2.628 40 0 JFABRN CC(C)(C)NC(=O)[C@H]1N(c2cccnc2)C(=O)[C@@H]2[C@H](C(=O)Nc3ccccc3)[C@@]3(C)C=C[C@]21O3 ZINC000006545952 194430351 /nfs/dbraw/zinc/43/03/51/194430351.db2.gz CXXRAQWRKZUDLF-IKOQJJOSSA-N 0 0 460.534 2.680 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1ccccn1)[C@H](C(=O)NC(C)(C)C)c1ccc(OC)cc1 ZINC000008994883 194499688 /nfs/dbraw/zinc/49/96/88/194499688.db2.gz FGWIERJARNVZAN-QHCPKHFHSA-N 0 0 470.570 2.940 40 0 JFABRN COc1cc(OC)cc(C(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3cc(C)on3)n2)c1 ZINC000012638770 195069114 /nfs/dbraw/zinc/06/91/14/195069114.db2.gz PXYGXHMRKFCXFZ-UHFFFAOYSA-N 0 0 463.454 2.545 40 0 JFABRN O=C(NC1CCCC1)C(=O)N(c1ccccc1F)[C@H](C(=O)NC[C@H]1CCCO1)c1ccco1 ZINC000012640906 195070438 /nfs/dbraw/zinc/07/04/38/195070438.db2.gz WVGLQOXBIPGWJD-UTKZUKDTSA-N 0 0 457.502 2.847 40 0 JFABRN O=C(NC1CCCC1)C(=O)N(c1ccccc1F)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccco1 ZINC000012640891 195070464 /nfs/dbraw/zinc/07/04/64/195070464.db2.gz WVGLQOXBIPGWJD-LAUBAEHRSA-N 0 0 457.502 2.847 40 0 JFABRN O=C(NC1CCCC1)C(=O)N(Cc1ccco1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000012640857 195070467 /nfs/dbraw/zinc/07/04/67/195070467.db2.gz PZZPLVXZBLGQCZ-UNMCSNQZSA-N 0 0 453.539 2.704 40 0 JFABRN COCCNC(=O)[C@@H](c1ccccc1Cl)N(C(=O)C(=O)NC1CCCC1)c1cccnc1 ZINC000012641083 195070765 /nfs/dbraw/zinc/07/07/65/195070765.db2.gz GKQOIOHRXUQCFH-HXUWFJFHSA-N 0 0 458.946 2.631 40 0 JFABRN CC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)C(=O)NCc1ccc2c(c1)OCO2)c1cccnc1 ZINC000012641636 195071460 /nfs/dbraw/zinc/07/14/60/195071460.db2.gz BEWZWRMSVOOGJD-OAQYLSRUSA-N 0 0 478.505 2.709 40 0 JFABRN C[C@]12C=C[C@]3(O1)[C@H](C(=O)N(C[C@@H]1CCCO1)[C@@H]3C(=O)NC1CCCCC1)[C@@H]2C(=O)Nc1ccccc1 ZINC000012642257 195071890 /nfs/dbraw/zinc/07/18/90/195071890.db2.gz IQXXIQQEQWOUFK-AHNYIBSISA-N 0 0 493.604 2.794 40 0 JFABRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c2)C[C@@H](C)O1 ZINC000012661145 195080924 /nfs/dbraw/zinc/08/09/24/195080924.db2.gz BYLRACUWOMCBFA-DKLJTFSYSA-N 0 0 466.600 2.582 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3cccc(F)c3)n2)cc1OC ZINC000012704981 195092406 /nfs/dbraw/zinc/09/24/06/195092406.db2.gz QYXOPWUSYWKIEW-UHFFFAOYSA-N 0 0 496.543 2.979 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)C1CCCC1 ZINC000012709461 195094055 /nfs/dbraw/zinc/09/40/55/195094055.db2.gz SNYPRKHCNLAHBP-FTDQSSOUSA-N 0 0 465.591 2.731 40 0 JFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000012711203 195095198 /nfs/dbraw/zinc/09/51/98/195095198.db2.gz AENZJKNOHRVWQO-AUUYWEPGSA-N 0 0 499.618 2.877 40 0 JFABRN Cc1cccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c12 ZINC000012832890 195151098 /nfs/dbraw/zinc/15/10/98/195151098.db2.gz HLALRZXZIFOCCB-UHFFFAOYSA-N 0 0 487.608 2.596 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)Cn3nc(-c4ccc5c(c4)OCCO5)ccc3=O)s2)cc1 ZINC000012881497 195168729 /nfs/dbraw/zinc/16/87/29/195168729.db2.gz FQKLCEVSAVVECG-UHFFFAOYSA-N 0 0 477.502 2.847 40 0 JFABRN CC(=O)Nc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)cc1 ZINC000012896457 195175398 /nfs/dbraw/zinc/17/53/98/195175398.db2.gz KSIUKGHMZRYBIB-TTZMFTMZSA-N 0 0 470.529 2.772 40 0 JFABRN CC(=O)Nc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)cc1 ZINC000012896449 195175423 /nfs/dbraw/zinc/17/54/23/195175423.db2.gz KSIUKGHMZRYBIB-LAOBSVPGSA-N 0 0 470.529 2.772 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(OCC)c1 ZINC000020802098 195227462 /nfs/dbraw/zinc/22/74/62/195227462.db2.gz OVXJJMOCNKFMHC-NHCUHLMSSA-N 0 0 453.495 2.902 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(O)c(OCC)c1 ZINC000020802106 195227465 /nfs/dbraw/zinc/22/74/65/195227465.db2.gz OVXJJMOCNKFMHC-SFTDATJTSA-N 0 0 453.495 2.902 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(OC)cc1OC ZINC000020802470 195227675 /nfs/dbraw/zinc/22/76/75/195227675.db2.gz SUCCVHHQJNYQIB-SFTDATJTSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000020802481 195227681 /nfs/dbraw/zinc/22/76/81/195227681.db2.gz SPFVEYPNDKNLKE-VXKWHMMOSA-N 0 0 483.521 2.824 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1OC ZINC000020802464 195227687 /nfs/dbraw/zinc/22/76/87/195227687.db2.gz SUCCVHHQJNYQIB-LEWJYISDSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cc(OC)ccc1OC ZINC000020802487 195227764 /nfs/dbraw/zinc/22/77/64/195227764.db2.gz ZIKZPVDNJTUTMS-LEWJYISDSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000057589907 195351680 /nfs/dbraw/zinc/35/16/80/195351680.db2.gz UUOMRKLIGCPSKJ-CVDCTZTESA-N 0 0 494.596 2.675 40 0 JFABRN COc1ccc2cc(CN(Cc3nnnn3C[C@@H]3CCCO3)Cc3ccccc3OC)c(=O)[nH]c2c1 ZINC000057607810 195353035 /nfs/dbraw/zinc/35/30/35/195353035.db2.gz NEMGQCJDSXLEOE-QFIPXVFZSA-N 0 0 490.564 2.913 40 0 JFABRN COc1ccc2cc(CN(Cc3nnnn3C[C@@H]3CCCO3)Cc3ccccc3)c(=O)[nH]c2c1 ZINC000057607746 195353042 /nfs/dbraw/zinc/35/30/42/195353042.db2.gz BESADTLSJLTZLH-QFIPXVFZSA-N 0 0 460.538 2.905 40 0 JFABRN COCCn1nnnc1CN(Cc1ccccc1OC)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057615853 195353843 /nfs/dbraw/zinc/35/38/43/195353843.db2.gz WYUXYTXQGANHES-UHFFFAOYSA-N 0 0 462.554 2.989 40 0 JFABRN CC[C@@H](c1nnnn1CCOC)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641090 195354994 /nfs/dbraw/zinc/35/49/94/195354994.db2.gz UKOJFSWERCXVCM-NRFANRHFSA-N 0 0 452.515 2.916 40 0 JFABRN Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000057643163 195356624 /nfs/dbraw/zinc/35/66/24/195356624.db2.gz AMJPPLQMQANVLM-UHFFFAOYSA-N 0 0 450.518 2.703 40 0 JFABRN CC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000057671680 195357148 /nfs/dbraw/zinc/35/71/48/195357148.db2.gz OVBXTTODAYZFDG-OAQYLSRUSA-N 0 0 458.563 2.825 40 0 JFABRN CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000057730942 195359229 /nfs/dbraw/zinc/35/92/29/195359229.db2.gz XPRGSIOGIUJFMN-LJQANCHMSA-N 0 0 454.552 2.535 40 0 JFABRN COc1ccccc1N(CCCC(=O)NCc1nc(-c2cccc(C)c2)no1)S(C)(=O)=O ZINC000224862117 195469507 /nfs/dbraw/zinc/46/95/07/195469507.db2.gz VUJDKYXOTVKPJQ-UHFFFAOYSA-N 0 0 458.540 2.916 40 0 JFABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000409383634 195519081 /nfs/dbraw/zinc/51/90/81/195519081.db2.gz YPFNFEDPSFRLBC-UHFFFAOYSA-N 0 0 463.575 2.796 40 0 JFABRN CCOC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@@H](c2ccc(C(=O)OC)cc2)[C@H]1C(=O)OCC ZINC000096318858 130063794 /nfs/dbraw/zinc/06/37/94/130063794.db2.gz WULIHEMIPMNPHO-GUTXKFCHSA-N 0 0 451.522 2.572 40 0 JFABRN CC(=O)OC[C@@H]1O[C@@H](Oc2cc(C(C)C)ccc2C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000016347757 519756242 /nfs/dbraw/zinc/75/62/42/519756242.db2.gz XPSRJIDOWVLUTQ-UDIRQSBCSA-N 0 0 480.510 2.580 40 0 JFABRN CC(=O)Oc1ccc([C@@H]2c3cc(OC(C)=O)c(OC(C)=O)cc3C[C@@H]3C(=O)OC[C@@H]32)cc1OC(C)=O ZINC000004404421 519759645 /nfs/dbraw/zinc/75/96/45/519759645.db2.gz DNMNGEFEECGXMP-ZYLNGJIFSA-N 0 0 496.468 2.865 40 0 JFABRN CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000020493546 519763089 /nfs/dbraw/zinc/76/30/89/519763089.db2.gz ZJWBZAJGWVAVTB-UHFFFAOYSA-N 0 0 461.422 2.922 40 0 JFABRN CC(C)Oc1ccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000044839728 519779013 /nfs/dbraw/zinc/77/90/13/519779013.db2.gz BXIODOWXXWOOBS-UHFFFAOYSA-N 0 0 460.596 2.998 40 0 JFABRN CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(I)cc2)ccc1OC ZINC000016681844 520048629 /nfs/dbraw/zinc/04/86/29/520048629.db2.gz JEGVLSKXQHHAJA-UHFFFAOYSA-N 0 0 460.293 2.850 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000006488341 520483448 /nfs/dbraw/zinc/48/34/48/520483448.db2.gz SPVMDOBDPWIZGJ-PZDOZLBDSA-N 0 0 480.542 2.521 40 0 JFABRN CC1(C)[C@@H](CC(=O)N[C@H](O)C(Cl)(Cl)Cl)C[C@H]1C(=O)N[C@H](O)C(Cl)(Cl)Cl ZINC000035181701 520629137 /nfs/dbraw/zinc/62/91/37/520629137.db2.gz OGTLIIHRGUPOEW-MLTZYSBQSA-N 0 0 479.015 2.648 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000016692446 521184716 /nfs/dbraw/zinc/18/47/16/521184716.db2.gz AYHODPJWHAFHTR-UHFFFAOYSA-N 0 0 469.966 2.847 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@@H](C)C3)cc2c1 ZINC000012466198 521284879 /nfs/dbraw/zinc/28/48/79/521284879.db2.gz MZGCCTQYOFRAMY-GTCCEBARSA-N 0 0 452.559 2.914 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1Cl ZINC000020483185 521496764 /nfs/dbraw/zinc/49/67/64/521496764.db2.gz VJYSHIHHEMYKSU-UHFFFAOYSA-N 0 0 454.932 2.926 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(N2CCC(CNC(=O)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000013565368 521985274 /nfs/dbraw/zinc/98/52/74/521985274.db2.gz WKYDETXYZDRMIW-UHFFFAOYSA-N 0 0 454.596 2.994 40 0 JFABRN COc1cc(C(=O)N2[C@@H](C(=O)[O-])COC23CC[NH+](Cc2ccccc2)CC3)cc(OC)c1OC ZINC000071980599 522098144 /nfs/dbraw/zinc/09/81/44/522098144.db2.gz YUQBFGRTEOPBIF-LJQANCHMSA-N 0 0 470.522 2.630 40 0 JFABRN CC[C@@H](C)NC(=O)CCn1c2nnc(SCC(=O)NCCC(C)C)n2c2ccccc2c1=O ZINC000033292167 522157195 /nfs/dbraw/zinc/15/71/95/522157195.db2.gz NPDLBLRLTNIZKO-MRXNPFEDSA-N 0 0 472.615 2.603 40 0 JFABRN CC[C@@H](C)NC(=O)CCn1c2nnc(SCC(=O)NCc3ccccc3)n2c2ccccc2c1=O ZINC000033292047 522158870 /nfs/dbraw/zinc/15/88/70/522158870.db2.gz ZSJWISHCGTYHTB-QGZVFWFLSA-N 0 0 492.605 2.758 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)NCc3ccccc3)nnc1n(C)c2=O ZINC000033256752 522220359 /nfs/dbraw/zinc/22/03/59/522220359.db2.gz XDVLKTLIXHTHCL-OAHLLOKOSA-N 0 0 478.578 2.518 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3ccc(OC)cc3)nnc1n(C)c2=O ZINC000023126395 522220929 /nfs/dbraw/zinc/22/09/29/522220929.db2.gz APHDJOQYTNHKGV-CQSZACIVSA-N 0 0 494.577 2.849 40 0 JFABRN COC(=O)c1ccccc1NC(=S)N(CCCO)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000006162863 522283975 /nfs/dbraw/zinc/28/39/75/522283975.db2.gz ZTOZIHYRILZGRK-UHFFFAOYSA-N 0 0 455.536 2.905 40 0 JFABRN COc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)c(=O)[nH]c2cc1OC ZINC000006239538 523058894 /nfs/dbraw/zinc/05/88/94/523058894.db2.gz UQKYQUWLAYBIRY-JOCHJYFZSA-N 0 0 464.501 2.904 40 0 JFABRN CCn1c(=O)/c(=C2/SC(C)=C(C)N2CC)s/c1=C1/C(=O)N(C)C(=S)N1c1ccccc1 ZINC000033342819 523092014 /nfs/dbraw/zinc/09/20/14/523092014.db2.gz ZWHMCOHCVRGUJA-ISPAOBMBSA-N 0 0 472.661 2.687 40 0 JFABRN COc1ccc(-c2nn3c(nnc3SCC(=O)c3ccc(OC)c(OC)c3)[nH]c2=O)cc1 ZINC000022720525 523250750 /nfs/dbraw/zinc/25/07/50/523250750.db2.gz LDEUFQGTYACLOY-UHFFFAOYSA-N 0 0 453.480 2.893 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)(C)C)c3cc(C)ccc3C)n2)cc1OC ZINC000012476347 523268722 /nfs/dbraw/zinc/26/87/22/523268722.db2.gz CDCDKIXXIGXJLX-UHFFFAOYSA-N 0 0 480.569 2.922 40 0 JFABRN COc1ccc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n([C@H](C)C(C)=O)c(=O)n2C)cc1 ZINC000039702664 523307802 /nfs/dbraw/zinc/30/78/02/523307802.db2.gz GKOOBLQGTZPZQY-OAHLLOKOSA-N 0 0 457.490 2.964 40 0 JFABRN COCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013507487 523536736 /nfs/dbraw/zinc/53/67/36/523536736.db2.gz CPMZICJZJGXICC-JOCHJYFZSA-N 0 0 459.518 2.814 40 0 JFABRN COc1ccc(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccccc3OC)n2)cc1 ZINC000005433950 523739940 /nfs/dbraw/zinc/73/99/40/523739940.db2.gz HFMPFFRULPQTGZ-JFJDKTSWSA-N 0 0 462.506 2.538 40 0 biogenic,in-vitro JFABRN CC[C@H](C(=O)NCc1ccc(F)cc1)N(CCc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000012472676 523783776 /nfs/dbraw/zinc/78/37/76/523783776.db2.gz WRGMPWWOLBERTE-GOSISDBHSA-N 0 0 483.569 2.743 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000016291282 523846508 /nfs/dbraw/zinc/84/65/08/523846508.db2.gz SVUSRJZVPGUVRH-UHFFFAOYSA-N 0 0 485.528 2.992 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C ZINC000012467277 523911183 /nfs/dbraw/zinc/91/11/83/523911183.db2.gz HDYIYFIMZGDAKM-HXUWFJFHSA-N 0 0 499.568 2.731 40 0 JFABRN COCCNC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 ZINC000013508710 523911808 /nfs/dbraw/zinc/91/18/08/523911808.db2.gz HGRCNVHVRNPMCR-RUZDIDTESA-N 0 0 473.533 2.977 40 0 JFABRN COCCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(C)c1 ZINC000013509287 523911966 /nfs/dbraw/zinc/91/19/66/523911966.db2.gz CQUJXGUHZRIGQX-RUZDIDTESA-N 0 0 472.549 2.980 40 0 JFABRN COCCNC(=O)[C@@H](c1cccs1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013508645 523912117 /nfs/dbraw/zinc/91/21/17/523912117.db2.gz DALHWXBZVQXHBD-OAQYLSRUSA-N 0 0 453.524 2.619 40 0 JFABRN COCCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC ZINC000013508468 523912187 /nfs/dbraw/zinc/91/21/87/523912187.db2.gz BLLXFDYIWNSVIL-HSZRJFAPSA-N 0 0 463.494 2.570 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 ZINC000004411530 523918695 /nfs/dbraw/zinc/91/86/95/523918695.db2.gz QGPFHOMUYPRZKL-VWLOTQADSA-N 0 0 491.548 2.874 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2OC)c(Cl)c1 ZINC000020023224 523960009 /nfs/dbraw/zinc/96/00/09/523960009.db2.gz KMYXFNLSXYYNBB-CQSZACIVSA-N 0 0 456.948 2.530 40 0 JFABRN CC[C@H](C)NC(=O)CCn1c2nnc(SCC(=O)NCc3ccccc3)n2c2ccccc2c1=O ZINC000033292048 523969649 /nfs/dbraw/zinc/96/96/49/523969649.db2.gz ZSJWISHCGTYHTB-KRWDZBQOSA-N 0 0 492.605 2.758 40 0 JFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c(OC)c1OC ZINC000044949718 524046202 /nfs/dbraw/zinc/04/62/02/524046202.db2.gz GTUAIDCDDJQJFH-UHFFFAOYSA-N 0 0 476.595 2.879 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000012480923 524164201 /nfs/dbraw/zinc/16/42/01/524164201.db2.gz BMCIVXBELNOOEO-KRWDZBQOSA-N 0 0 450.518 2.955 40 0 JFABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC(C)(C)C)c1ccc(O)cc1 ZINC000006074580 524524285 /nfs/dbraw/zinc/52/42/85/524524285.db2.gz LPPAMEDRZNTHQT-LJQANCHMSA-N 0 0 497.577 2.841 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1Cl ZINC000016187588 525000674 /nfs/dbraw/zinc/00/06/74/525000674.db2.gz WRSRETZENXOGRC-RMKNXTFCSA-N 0 0 478.014 2.827 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1Cl ZINC000016350049 525000790 /nfs/dbraw/zinc/00/07/90/525000790.db2.gz UZXAEYKPKMYSQJ-UHFFFAOYSA-N 0 0 466.003 2.935 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC ZINC000016188062 525002454 /nfs/dbraw/zinc/00/24/54/525002454.db2.gz FYKOORQIUYBNNX-UHFFFAOYSA-N 0 0 458.920 2.634 40 0 JFABRN Cc1cc(I)ccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000030754917 525013023 /nfs/dbraw/zinc/01/30/23/525013023.db2.gz SUDGTKLGDPCFFL-MRXNPFEDSA-N 0 0 472.304 2.765 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000044901596 525022659 /nfs/dbraw/zinc/02/26/59/525022659.db2.gz PUYGQSWSSVGJKS-UHFFFAOYSA-N 0 0 495.623 2.501 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000022512810 525023321 /nfs/dbraw/zinc/02/33/21/525023321.db2.gz FAAYIKROTXXXJS-UHFFFAOYSA-N 0 0 487.987 2.757 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000020450590 525029860 /nfs/dbraw/zinc/02/98/60/525029860.db2.gz PTZXSAOMPUFFNU-GOSISDBHSA-N 0 0 462.568 2.772 40 0 JFABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000022517595 525113879 /nfs/dbraw/zinc/11/38/79/525113879.db2.gz WKEHDFKJKKWIEA-OAHLLOKOSA-N 0 0 496.607 2.853 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCO2 ZINC000022520133 525153811 /nfs/dbraw/zinc/15/38/11/525153811.db2.gz SUSNYAFZMLLYNE-UHFFFAOYSA-N 0 0 459.524 2.727 40 0 JFABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000020460532 525177012 /nfs/dbraw/zinc/17/70/12/525177012.db2.gz WONSLFQCAHVPGV-UHFFFAOYSA-N 0 0 499.633 2.610 40 0 JFABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006074591 525288140 /nfs/dbraw/zinc/28/81/40/525288140.db2.gz BATXYSRLSQWCDS-GOSISDBHSA-N 0 0 485.566 2.724 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1 ZINC000013504476 525381223 /nfs/dbraw/zinc/38/12/23/525381223.db2.gz WEWILQSQNHJVCR-ZJSXRUAMSA-N 0 0 482.560 2.920 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CCc3ccccc3)C[C@H]3CCCO3)cc2c1 ZINC000008617199 525476654 /nfs/dbraw/zinc/47/66/54/525476654.db2.gz MHIAAQAOFQMLHH-HSZRJFAPSA-N 0 0 474.565 2.947 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CCc3ccccc3)C[C@@H]3CCCO3)cc2c1 ZINC000008617198 525476912 /nfs/dbraw/zinc/47/69/12/525476912.db2.gz MHIAAQAOFQMLHH-QHCPKHFHSA-N 0 0 474.565 2.947 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)Cc2ccccc2Cl)cc1 ZINC000013502914 525563405 /nfs/dbraw/zinc/56/34/05/525563405.db2.gz QLTHFFAERGUCKW-UHFFFAOYSA-N 0 0 489.981 2.865 40 0 JFABRN Cc1cc2cc(CN(CCCO)S(=O)(=O)c3cccc4nsnc43)c(=O)[nH]c2cc1C ZINC000012467508 525637562 /nfs/dbraw/zinc/63/75/62/525637562.db2.gz QLXXKRXSRKQBPH-UHFFFAOYSA-N 0 0 458.565 2.723 40 0 JFABRN COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc43)c(=O)[nH]c2c1 ZINC000006176837 525637764 /nfs/dbraw/zinc/63/77/64/525637764.db2.gz VKBLGFUVFAIWBN-XXBNENTESA-N 0 0 458.522 2.854 40 0 JFABRN COc1cccc(-c2nnnn2[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000004270615 525733514 /nfs/dbraw/zinc/73/35/14/525733514.db2.gz UYVMNYFVEBSQCJ-INDMIFKZSA-N 0 0 475.427 2.505 40 0 biogenic,in-vitro JFABRN C[C@@]1(CO)[C@H](OC(=O)NC2CCCCC2)CC[C@@]2(C)[C@H](CC(=O)N3CCC[C@H]3CO)[C@H](O)CC[C@H]12 ZINC000004236610 525855543 /nfs/dbraw/zinc/85/55/43/525855543.db2.gz WVTMYNIEQIUSTQ-ZCBZUAJOSA-N 0 0 494.673 2.973 40 0 biogenic,in-vitro JFABRN C[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466332 526050464 /nfs/dbraw/zinc/05/04/64/526050464.db2.gz GIOPOJVLTPLIED-HFVUWPSASA-N 0 0 479.706 2.815 40 0 biogenic,in-vitro JFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1OC ZINC000013565537 526073205 /nfs/dbraw/zinc/07/32/05/526073205.db2.gz XJIHQXPKPWTUMJ-OAQYLSRUSA-N 0 0 487.984 2.825 40 0 JFABRN C[C@H](C(=O)NCc1cccnc1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cnccn3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466953 526086353 /nfs/dbraw/zinc/08/63/53/526086353.db2.gz QARGDVLSYMDPME-WRDAWAIASA-N 0 0 465.598 2.746 40 0 biogenic,in-vitro JFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccc(O)cc2)c1 ZINC000006074578 526127847 /nfs/dbraw/zinc/12/78/47/526127847.db2.gz GYFHPZVXADLFQI-LJQANCHMSA-N 0 0 497.577 2.841 40 0 JFABRN O=C(NCCOc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000022655358 526356952 /nfs/dbraw/zinc/35/69/52/526356952.db2.gz VWBGLJJCPJKVQM-UHFFFAOYSA-N 0 0 459.351 2.823 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(F)c(Cl)c1)Nc1nccs1 ZINC000013501962 526376690 /nfs/dbraw/zinc/37/66/90/526376690.db2.gz FUXCSQPTWXYUBL-AWEZNQCLSA-N 0 0 468.938 2.983 40 0 JFABRN O=C(NCc1ccncc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000022534470 526792223 /nfs/dbraw/zinc/79/22/23/526792223.db2.gz CKRXUDOLANYJJW-UHFFFAOYSA-N 0 0 452.374 2.702 40 0 JFABRN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000016493763 527056360 /nfs/dbraw/zinc/05/63/60/527056360.db2.gz VDZIJUNBUXAPAW-UHFFFAOYSA-N 0 0 462.535 2.676 40 0 JFABRN NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccc(F)cc2)c2cccc3c2CCCC3)c1N ZINC000012467079 527105336 /nfs/dbraw/zinc/10/53/36/527105336.db2.gz CIXJFWIBYRCKHW-UHFFFAOYSA-N 0 0 481.553 2.805 40 0 JFABRN O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)N3CCOCC3)CO[C@H]12 ZINC000004235503 527251453 /nfs/dbraw/zinc/25/14/53/527251453.db2.gz YGTRGFLNJUPDKZ-DXBBTUNJSA-N 0 0 469.494 2.604 40 0 biogenic,in-vitro JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000033146673 527254077 /nfs/dbraw/zinc/25/40/77/527254077.db2.gz CDYZXOLGBYFKHH-IBGZPJMESA-N 0 0 491.635 2.901 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014830013 527254453 /nfs/dbraw/zinc/25/44/53/527254453.db2.gz WSMAZBTWLMRURL-UHFFFAOYSA-N 0 0 477.608 2.898 40 0 JFABRN O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000006161895 527290411 /nfs/dbraw/zinc/29/04/11/527290411.db2.gz KUXUIXQTSBIRKO-HNNXBMFYSA-N 0 0 486.504 2.822 40 0 JFABRN O=C(Cn1nc2n(c1=O)c1ccccc1c(=O)n2Cc1ccc(F)cc1)NCc1ccc(Cl)cc1 ZINC000045921858 527421858 /nfs/dbraw/zinc/42/18/58/527421858.db2.gz PTSBSYJKYYERJC-UHFFFAOYSA-N 0 0 491.910 2.968 40 0 JFABRN O=C([O-])C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000020463351 527629235 /nfs/dbraw/zinc/62/92/35/527629235.db2.gz UALWKZJMHHFESA-OALUTQOASA-N 0 0 454.571 2.706 40 0 biogenic,in-vitro JFABRN O=C(NCCCCCCNC(=O)NC[C@H]1COc2ccccc2O1)NC[C@H]1COc2ccccc2O1 ZINC000016524974 527640592 /nfs/dbraw/zinc/64/05/92/527640592.db2.gz WPNLZBOXMJJXLF-PMACEKPBSA-N 0 0 498.580 2.825 40 0 JFABRN Cc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000000798889 553783311 /nfs/dbraw/zinc/78/33/11/553783311.db2.gz RKSURYPPMUTYHG-UHFFFAOYSA-N 0 0 467.526 2.660 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)Cc3ccccc3F)n2)o1 ZINC000000903618 553836619 /nfs/dbraw/zinc/83/66/19/553836619.db2.gz VOJDWTYBOFRILP-UHFFFAOYSA-N 0 0 454.506 2.858 40 0 JFABRN COC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]2CCCO2)c1 ZINC000000913998 553843241 /nfs/dbraw/zinc/84/32/41/553843241.db2.gz IYYQARNMHVWDEJ-FQEVSTJZSA-N 0 0 470.547 2.993 40 0 JFABRN CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000000920956 553853940 /nfs/dbraw/zinc/85/39/40/553853940.db2.gz VAZNPVAKBIEKBW-UHFFFAOYSA-N 0 0 463.625 2.618 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000926654 553862987 /nfs/dbraw/zinc/86/29/87/553862987.db2.gz BWPFFDPUHPVSIQ-UHFFFAOYSA-N 0 0 490.564 2.906 40 0 JFABRN CCC(C)(C)n1nnnc1CN(CCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000926917 553863492 /nfs/dbraw/zinc/86/34/92/553863492.db2.gz JLXXXOVPGJBOCX-UHFFFAOYSA-N 0 0 467.618 2.611 40 0 JFABRN Cn1c2nc(SCc3cc(=O)[nH]c4ccccc34)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000000930464 553868068 /nfs/dbraw/zinc/86/80/68/553868068.db2.gz KDFDOANZEVPASD-UHFFFAOYSA-N 0 0 459.531 2.616 40 0 JFABRN Cn1c2nc(SCC(=O)N3CCCc4ccccc43)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000000930478 553868223 /nfs/dbraw/zinc/86/82/23/553868223.db2.gz RFZNUIIVNGVREQ-UHFFFAOYSA-N 0 0 475.574 2.554 40 0 JFABRN COc1ccc(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)cc1 ZINC000000930529 553868291 /nfs/dbraw/zinc/86/82/91/553868291.db2.gz WFTHZFQNIHUMEH-UHFFFAOYSA-N 0 0 468.510 2.605 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C[C@@H]2CCCO2)cc1 ZINC000000933208 553871874 /nfs/dbraw/zinc/87/18/74/553871874.db2.gz WLWAGRLTEZIQKX-KRWDZBQOSA-N 0 0 473.016 2.960 40 0 JFABRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc(S(=O)(=O)N3CCCCC3)cc1)C(=O)C2 ZINC000000937643 553874910 /nfs/dbraw/zinc/87/49/10/553874910.db2.gz QACGXULMLWGFAZ-IIBYNOLFSA-N 0 0 454.614 2.998 40 0 JFABRN C[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)NCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002108498 554048313 /nfs/dbraw/zinc/04/83/13/554048313.db2.gz KQQXTKGPLZUWRC-KMVLGAPJSA-N 0 0 482.577 2.709 40 0 JFABRN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1OC ZINC000002265568 554124680 /nfs/dbraw/zinc/12/46/80/554124680.db2.gz CTPICXKAIHYEHS-QYRPDUKASA-N 0 0 465.893 2.954 40 0 JFABRN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000002328110 554150075 /nfs/dbraw/zinc/15/00/75/554150075.db2.gz PQBZPXSNEYDBOO-ZYUQZSPDSA-N 0 0 474.344 2.603 40 0 JFABRN COC(=O)CN1C(=S)N(c2cccc(Cl)c2)C(=O)[C@H]1CC(=O)Nc1ccc(OC)cc1 ZINC000002729892 554314436 /nfs/dbraw/zinc/31/44/36/554314436.db2.gz RNZYVVISFJHDOI-QGZVFWFLSA-N 0 0 461.927 2.853 40 0 JFABRN Cc1ccc(C(=O)OC[C@@H]2O[C@@H]3[C@H](Oc4c(C)c(=O)ncn43)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000005223256 554487625 /nfs/dbraw/zinc/48/76/25/554487625.db2.gz RNKNDVPLZYXRLZ-FBHSLPMESA-N 0 0 476.485 2.910 40 0 JFABRN O=C1NC2=NN3C(=O)C(/C=C\c4ccc(Cl)cc4)=NN[C@H]3N2NC12c1ccccc1-c1ccccc12 ZINC000005955034 554498848 /nfs/dbraw/zinc/49/88/48/554498848.db2.gz QQWWLDJIZOKBBU-GPFJBENQSA-N 0 0 495.930 2.570 40 0 JFABRN CC(C)CCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cccc(C(F)(F)F)c1 ZINC000006134013 554505952 /nfs/dbraw/zinc/50/59/52/554505952.db2.gz KSOMGCPWGLTBAH-UHFFFAOYSA-N 0 0 457.478 2.652 40 0 JFABRN COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000006190523 554516591 /nfs/dbraw/zinc/51/65/91/554516591.db2.gz BMTQMARVAUVLIC-HBMCJLEFSA-N 0 0 489.613 2.817 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC[C@H](C)C3)cc2c1 ZINC000006196995 554518864 /nfs/dbraw/zinc/51/88/64/554518864.db2.gz MZGCCTQYOFRAMY-DKZVUGQWSA-N 0 0 452.559 2.914 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@H](C)C3)cc2c1 ZINC000006196975 554518910 /nfs/dbraw/zinc/51/89/10/554518910.db2.gz MZGCCTQYOFRAMY-XWFZLUIHSA-N 0 0 452.559 2.914 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000006227850 554520106 /nfs/dbraw/zinc/52/01/06/554520106.db2.gz LOPNUMAHPVKTCT-YWFITGJYSA-N 0 0 470.572 2.877 40 0 JFABRN COc1ccc(CN(CC(=O)NCc2cccs2)C(=O)CN2C(=O)COc3ccccc32)cc1 ZINC000006289654 554527757 /nfs/dbraw/zinc/52/77/57/554527757.db2.gz HIJCSGIHPSBEBJ-UHFFFAOYSA-N 0 0 479.558 2.827 40 0 JFABRN COC(=O)c1cccc(S(=O)(=O)N(CCCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)c1 ZINC000006321774 554531154 /nfs/dbraw/zinc/53/11/54/554531154.db2.gz OEKIJRZAVAXBEE-UHFFFAOYSA-N 0 0 458.536 2.505 40 0 JFABRN COc1ccc(CCNC(=S)N(CCO)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000006443435 554537672 /nfs/dbraw/zinc/53/76/72/554537672.db2.gz RZWPYEYAHVGRHE-UHFFFAOYSA-N 0 0 455.580 2.765 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCCC1)OCCO3 ZINC000006445509 554539636 /nfs/dbraw/zinc/53/96/36/554539636.db2.gz HZJBTKURCFHPLW-JOCHJYFZSA-N 0 0 462.485 2.658 40 0 JFABRN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000006461681 554542511 /nfs/dbraw/zinc/54/25/11/554542511.db2.gz ICWKBPHBQKOSHA-HXUWFJFHSA-N 0 0 457.483 2.996 40 0 JFABRN CCCC[C@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006481467 554545225 /nfs/dbraw/zinc/54/52/25/554545225.db2.gz RNRDKDUTHZBSKB-CQSZACIVSA-N 0 0 491.614 2.962 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3O)c(=O)n2[C@@H]1c1ccccc1 ZINC000006487859 554545717 /nfs/dbraw/zinc/54/57/17/554545717.db2.gz AZXYRTQVUFSBEC-UBXANZILSA-N 0 0 450.516 2.513 40 0 JFABRN CCC[C@@H](C(=O)NCCC(C)C)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000006501160 554547449 /nfs/dbraw/zinc/54/74/49/554547449.db2.gz FIYAGCVTJXQREQ-AWEZNQCLSA-N 0 0 451.618 2.859 40 0 JFABRN CCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 ZINC000006501406 554547684 /nfs/dbraw/zinc/54/76/84/554547684.db2.gz BFZOVYOIACGURP-MRXNPFEDSA-N 0 0 459.572 2.707 40 0 JFABRN CCC[C@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OCC)cc1 ZINC000006501314 554547701 /nfs/dbraw/zinc/54/77/01/554547701.db2.gz DJWLHUDQQVTXOB-OAHLLOKOSA-N 0 0 461.588 2.953 40 0 JFABRN CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006552258 554551514 /nfs/dbraw/zinc/55/15/14/554551514.db2.gz KHYVLKRRPFKTLD-UHFFFAOYSA-N 0 0 476.584 2.777 40 0 JFABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](CC)C(=O)NC1CCCC1 ZINC000006631809 554557061 /nfs/dbraw/zinc/55/70/61/554557061.db2.gz PMLZNKIAQLXVPC-AWEZNQCLSA-N 0 0 459.572 2.707 40 0 JFABRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccco2)cc1 ZINC000006822087 554558672 /nfs/dbraw/zinc/55/86/72/554558672.db2.gz RLHZYLJDAVOZOG-UZLBHIALSA-N 0 0 497.577 2.663 40 0 JFABRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)cc1 ZINC000006843623 554558690 /nfs/dbraw/zinc/55/86/90/554558690.db2.gz RLHZYLJDAVOZOG-OXJNMPFZSA-N 0 0 497.577 2.663 40 0 JFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000006973730 554562678 /nfs/dbraw/zinc/56/26/78/554562678.db2.gz NFUPYPDUPZTSAM-LJQANCHMSA-N 0 0 483.550 2.873 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000008450453 554596476 /nfs/dbraw/zinc/59/64/76/554596476.db2.gz LTQHTGCBECIVSP-FBHQFGEZSA-N 0 0 463.559 2.981 40 0 JFABRN COCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@H]2C1=O ZINC000009422821 555187974 /nfs/dbraw/zinc/18/79/74/555187974.db2.gz KGIUARDSEPWGMX-BQJUDKOJSA-N 0 0 451.910 2.810 40 0 JFABRN Cc1cc(C)n2nc(C(=O)OCC(=O)/N=c3\sccn3Cc3ccccc3Cl)nc2n1 ZINC000009467911 555246220 /nfs/dbraw/zinc/24/62/20/555246220.db2.gz FOKVXHZAXBFQAF-ATJXCDBQSA-N 0 0 456.915 2.590 40 0 JFABRN CC[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1C ZINC000013151040 555358242 /nfs/dbraw/zinc/35/82/42/555358242.db2.gz FLPMEMQZSCISCD-OAQYLSRUSA-N 0 0 469.563 2.995 40 0 JFABRN COC(=O)[C@@H]1NC(c2ccccc2)(c2ccccc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000013389116 555394744 /nfs/dbraw/zinc/39/47/44/555394744.db2.gz QLGNKQPVFSIVOY-YTFSRNRJSA-N 0 0 456.498 2.889 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495483 555407759 /nfs/dbraw/zinc/40/77/59/555407759.db2.gz OFKDRUABGYQCHL-PZJWPPBQSA-N 0 0 468.558 2.518 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCCO)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013496033 555410792 /nfs/dbraw/zinc/41/07/92/555410792.db2.gz KKLIAQJLLAVPMN-QFIPXVFZSA-N 0 0 466.542 2.890 40 0 JFABRN CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000009690633 555417614 /nfs/dbraw/zinc/41/76/14/555417614.db2.gz IDYGGKCVVGYQHB-FZKQIMNGSA-N 0 0 463.943 2.974 40 0 JFABRN CC(C)[C@H](c1nnnn1Cc1ccco1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013498808 555425245 /nfs/dbraw/zinc/42/52/45/555425245.db2.gz KFBWITFUDJBVTO-HSZRJFAPSA-N 0 0 494.552 2.509 40 0 JFABRN CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501061 555446915 /nfs/dbraw/zinc/44/69/15/555446915.db2.gz NSXKAYGOJVHDDI-GMAHTHKFSA-N 0 0 484.601 2.818 40 0 JFABRN CCOc1ccccc1N(CC(=O)NC[C@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1 ZINC000013501955 555452331 /nfs/dbraw/zinc/45/23/31/555452331.db2.gz AEHTYQQHWCPTIR-MRXNPFEDSA-N 0 0 460.556 2.589 40 0 JFABRN CCOc1ccc([C@@H](C(=O)NCc2ccco2)N(CCOC)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013502477 555455666 /nfs/dbraw/zinc/45/56/66/555455666.db2.gz AUKQLNKEQSYMPZ-VWLOTQADSA-N 0 0 491.548 2.956 40 0 JFABRN CC(C)[C@H](C(=O)NCCc1ccccc1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502749 555457004 /nfs/dbraw/zinc/45/70/04/555457004.db2.gz ZPHUVKQSZILZBF-RUZDIDTESA-N 0 0 497.617 2.970 40 0 JFABRN CC(C)[C@@H](C(=O)NC(C)(C)C)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502765 555457215 /nfs/dbraw/zinc/45/72/15/555457215.db2.gz WENZCSCXFQITIQ-FQEVSTJZSA-N 0 0 465.641 2.995 40 0 JFABRN CC[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1F ZINC000013502820 555457560 /nfs/dbraw/zinc/45/75/60/555457560.db2.gz JZNVJYKVCDMQBU-FQEVSTJZSA-N 0 0 473.526 2.825 40 0 JFABRN CC(C)[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013503101 555459268 /nfs/dbraw/zinc/45/92/68/555459268.db2.gz BLSVFQVHOCDGKK-HXUWFJFHSA-N 0 0 467.563 2.665 40 0 JFABRN O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1 ZINC000013503129 555459305 /nfs/dbraw/zinc/45/93/05/555459305.db2.gz NSSDPTQPRUGHES-UHFFFAOYSA-N 0 0 475.567 2.511 40 0 JFABRN CC[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1cccc(F)c1 ZINC000013503158 555459539 /nfs/dbraw/zinc/45/95/39/555459539.db2.gz BNIAUVOECFNUBN-OAQYLSRUSA-N 0 0 491.516 2.964 40 0 JFABRN O=C(CN(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1)NCc1ccco1 ZINC000013503256 555460114 /nfs/dbraw/zinc/46/01/14/555460114.db2.gz ALFRCXXWQONBRK-UHFFFAOYSA-N 0 0 479.917 2.700 40 0 JFABRN COc1cccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C(=O)c3ccco3)CC2)c1OC ZINC000013504072 555462765 /nfs/dbraw/zinc/46/27/65/555462765.db2.gz OBZAFBSQXJWDEA-IBGZPJMESA-N 0 0 454.531 2.586 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000013504498 555463936 /nfs/dbraw/zinc/46/39/36/555463936.db2.gz DEDYXPDSPHGVIC-XUZZJYLKSA-N 0 0 482.560 2.920 40 0 JFABRN COc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000013505307 555466031 /nfs/dbraw/zinc/46/60/31/555466031.db2.gz RKHGZWRVFTUECR-OAQYLSRUSA-N 0 0 464.551 2.932 40 0 JFABRN COc1ccc(CCn2nnnc2CN2CCN(c3nc4ccccc4s3)CC2)cc1OC ZINC000013505588 555467307 /nfs/dbraw/zinc/46/73/07/555467307.db2.gz SQIQOQKLLPKERD-UHFFFAOYSA-N 0 0 465.583 2.865 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(C[C@@H]2CCCO2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)no1 ZINC000013505830 555468361 /nfs/dbraw/zinc/46/83/61/555468361.db2.gz BPHBXBBOURPMFT-STWLZBDKSA-N 0 0 498.580 2.746 40 0 JFABRN CCOC(=O)c1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)cc1 ZINC000013508243 555478233 /nfs/dbraw/zinc/47/82/33/555478233.db2.gz YZSHWZNKFNHCRN-UHFFFAOYSA-N 0 0 455.511 2.668 40 0 JFABRN COCCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013508460 555478844 /nfs/dbraw/zinc/47/88/44/555478844.db2.gz FSXQVXSOHSYJQL-JOCHJYFZSA-N 0 0 451.458 2.701 40 0 JFABRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCOC)c2ccco2)cc1 ZINC000013508482 555478887 /nfs/dbraw/zinc/47/88/87/555478887.db2.gz IHRQMHLLCZZXQG-XMMPIXPASA-N 0 0 477.521 2.960 40 0 JFABRN COCCNC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 ZINC000013508706 555479366 /nfs/dbraw/zinc/47/93/66/555479366.db2.gz YANDTWBBFMPYIN-RUZDIDTESA-N 0 0 473.533 2.977 40 0 JFABRN COCCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013509246 555480888 /nfs/dbraw/zinc/48/08/88/555480888.db2.gz NQEJLQFZQJFWOG-HSZRJFAPSA-N 0 0 462.485 2.503 40 0 JFABRN COCCNC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013509320 555481088 /nfs/dbraw/zinc/48/10/88/555481088.db2.gz UOGSFRKILAJCNU-HSZRJFAPSA-N 0 0 462.485 2.503 40 0 JFABRN COc1cccc(N2CCN(CC(=O)Nc3nnc(-c4ccc(OC)c(OC)c4)s3)CC2)c1 ZINC000013510139 555482030 /nfs/dbraw/zinc/48/20/30/555482030.db2.gz VQSRDOIEGMTIRF-UHFFFAOYSA-N 0 0 469.567 2.992 40 0 JFABRN COc1ccccc1-c1ocnc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000013565432 555501769 /nfs/dbraw/zinc/50/17/69/555501769.db2.gz ISBLTSRSLGALND-UHFFFAOYSA-N 0 0 456.524 2.684 40 0 JFABRN CCOC(=O)CC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[nH]2)CC1 ZINC000013565532 555501969 /nfs/dbraw/zinc/50/19/69/555501969.db2.gz GXUGUNCZLKBUCW-UHFFFAOYSA-N 0 0 493.351 2.529 40 0 JFABRN CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013565574 555501977 /nfs/dbraw/zinc/50/19/77/555501977.db2.gz WZOQQAYSOBJZQL-OAQYLSRUSA-N 0 0 497.539 2.722 40 0 JFABRN CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013565573 555501996 /nfs/dbraw/zinc/50/19/96/555501996.db2.gz WZOQQAYSOBJZQL-NRFANRHFSA-N 0 0 497.539 2.722 40 0 JFABRN CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013565580 555502204 /nfs/dbraw/zinc/50/22/04/555502204.db2.gz JJZOYTFNIKKUTJ-RUZDIDTESA-N 0 0 479.602 2.857 40 0 JFABRN CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013565639 555502545 /nfs/dbraw/zinc/50/25/45/555502545.db2.gz XJSKDMLOHXIZLF-VWLOTQADSA-N 0 0 497.592 2.996 40 0 JFABRN O=C1c2ccccc2C(=O)N1CCCSC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000013572532 555511255 /nfs/dbraw/zinc/51/12/55/555511255.db2.gz XKPXXCXSCLBSFY-JKSUJKDBSA-N 0 0 453.589 2.972 40 0 JFABRN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(C)(=O)=O)c1 ZINC000019856120 555514022 /nfs/dbraw/zinc/51/40/22/555514022.db2.gz AFVYRPXQWJMHID-UHFFFAOYSA-N 0 0 479.624 2.964 40 0 JFABRN CCN1CCN(C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000019856487 555515962 /nfs/dbraw/zinc/51/59/62/555515962.db2.gz UESIVZZVACCGGE-UHFFFAOYSA-N 0 0 466.401 2.809 40 0 JFABRN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)c(OC)c1 ZINC000013580734 555519164 /nfs/dbraw/zinc/51/91/64/555519164.db2.gz LALPOIBBSJKZST-CQSZACIVSA-N 0 0 452.504 2.891 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868427 555522861 /nfs/dbraw/zinc/52/28/61/555522861.db2.gz UVAXKWBOCRQYSL-UHFFFAOYSA-N 0 0 494.013 2.897 40 0 JFABRN CCN(CC(=O)N1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930279 555547454 /nfs/dbraw/zinc/54/74/54/555547454.db2.gz VGMGJUHXAPZQSB-UHFFFAOYSA-N 0 0 482.002 2.717 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000019930740 555547647 /nfs/dbraw/zinc/54/76/47/555547647.db2.gz YMMKTESPOZUFFU-UHFFFAOYSA-N 0 0 462.524 2.502 40 0 JFABRN COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1OC ZINC000019931136 555548676 /nfs/dbraw/zinc/54/86/76/555548676.db2.gz OWMBOFIWFJLIRQ-NRFANRHFSA-N 0 0 454.548 2.910 40 0 JFABRN COC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 ZINC000019935366 555552564 /nfs/dbraw/zinc/55/25/64/555552564.db2.gz NPMCLXDBRAVCPD-UHFFFAOYSA-N 0 0 452.916 2.929 40 0 JFABRN CCOC(=O)N1CCN(C(=O)COc2ccc(N(CC)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000019937934 555554861 /nfs/dbraw/zinc/55/48/61/555554861.db2.gz DCSNPXAMKPRPHA-UHFFFAOYSA-N 0 0 475.567 2.581 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(C(=S)NCCCN1CCOCC1)C1CCCC1)OCCO3 ZINC000019940526 555558863 /nfs/dbraw/zinc/55/88/63/555558863.db2.gz JVWRKQRWNXMGRA-UHFFFAOYSA-N 0 0 486.638 2.641 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCCN1CCOCC1)C(=S)NCc1ccccc1)OCO3 ZINC000019940494 555558909 /nfs/dbraw/zinc/55/89/09/555558909.db2.gz YIVQQVAADGNFCU-UHFFFAOYSA-N 0 0 494.617 2.856 40 0 JFABRN CCOCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000019940999 555559501 /nfs/dbraw/zinc/55/95/01/555559501.db2.gz JIPHSCLQXZVTGZ-UHFFFAOYSA-N 0 0 474.671 2.970 40 0 JFABRN Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000019941192 555560054 /nfs/dbraw/zinc/56/00/54/555560054.db2.gz ROVCMCRXEORIKI-MGBGTMOVSA-N 0 0 473.570 2.913 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1C ZINC000013670860 555561720 /nfs/dbraw/zinc/56/17/20/555561720.db2.gz IXVQZRLAHGWKKL-UHFFFAOYSA-N 0 0 450.513 2.594 40 0 JFABRN CS(=O)(=O)N(Cc1ccc(C(=O)N2CCN(C=O)CC2)cc1)c1cccc(Cl)c1Cl ZINC000013675875 555566926 /nfs/dbraw/zinc/56/69/26/555566926.db2.gz BMIDZXGHGGUPEF-UHFFFAOYSA-N 0 0 470.378 2.874 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000019973004 555574996 /nfs/dbraw/zinc/57/49/96/555574996.db2.gz GOZWAGJBTLAYNX-VWLOTQADSA-N 0 0 487.608 2.998 40 0 JFABRN CN1C(=O)C(=C(Nc2ccc(Cl)cc2)SCC(=O)NCc2ccco2)C(=O)N(C)C1=O ZINC000009973785 555575273 /nfs/dbraw/zinc/57/52/73/555575273.db2.gz BDCBDCSVYMJWEZ-UHFFFAOYSA-N 0 0 462.915 2.657 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1Cl ZINC000013682212 555575723 /nfs/dbraw/zinc/57/57/23/555575723.db2.gz QTTYJMINFPMTOY-OAHLLOKOSA-N 0 0 495.985 2.614 40 0 JFABRN CCCN(CCC)C(=O)CSC(Nc1ccc(OC)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000009974111 555577072 /nfs/dbraw/zinc/57/70/72/555577072.db2.gz OMRZHCGCIWYTOB-UHFFFAOYSA-N 0 0 462.572 2.751 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013685060 555578607 /nfs/dbraw/zinc/57/86/07/555578607.db2.gz KBRDODDBDPMMPO-UHFFFAOYSA-N 0 0 479.986 2.756 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000009974497 555579165 /nfs/dbraw/zinc/57/91/65/555579165.db2.gz ZYZXYSPCKYGQNH-GOSISDBHSA-N 0 0 461.559 2.584 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC000009974444 555579192 /nfs/dbraw/zinc/57/91/92/555579192.db2.gz QWBIVUZXLUUVFF-INIZCTEOSA-N 0 0 487.416 2.652 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc1C ZINC000009974579 555579638 /nfs/dbraw/zinc/57/96/38/555579638.db2.gz LVAHJQAQTDRLFH-HXUWFJFHSA-N 0 0 457.596 2.753 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1Cl ZINC000020006055 555580443 /nfs/dbraw/zinc/58/04/43/555580443.db2.gz BNKBDWAMROTHAA-HXUWFJFHSA-N 0 0 459.955 2.950 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1C ZINC000020009020 555583954 /nfs/dbraw/zinc/58/39/54/555583954.db2.gz BDGJQSLWCPWLMO-NRFANRHFSA-N 0 0 482.558 2.938 40 0 JFABRN CCN(CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000020014773 555590918 /nfs/dbraw/zinc/59/09/18/555590918.db2.gz PLXUJXRYKMXLAM-MRXNPFEDSA-N 0 0 450.557 2.909 40 0 JFABRN CCCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1N1CCCC1 ZINC000010009853 555591699 /nfs/dbraw/zinc/59/16/99/555591699.db2.gz GVTHVGWPMDTQKP-UHFFFAOYSA-N 0 0 475.611 2.965 40 0 JFABRN CCCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3OC)CC2)ccc1N1CCCC1 ZINC000010009920 555591781 /nfs/dbraw/zinc/59/17/81/555591781.db2.gz RIYUFCXRQYZHCY-UHFFFAOYSA-N 0 0 486.638 2.946 40 0 JFABRN CC[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714569 555591965 /nfs/dbraw/zinc/59/19/65/555591965.db2.gz SPVRMIXUQYCOLN-HXUWFJFHSA-N 0 0 494.013 2.958 40 0 JFABRN CC[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714884 555592506 /nfs/dbraw/zinc/59/25/06/555592506.db2.gz PPQRERNRYBWLSJ-MRXNPFEDSA-N 0 0 450.948 2.714 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1OC ZINC000020023149 555601164 /nfs/dbraw/zinc/60/11/64/555601164.db2.gz ZXKWDWZOFFZPJC-OAHLLOKOSA-N 0 0 498.985 2.634 40 0 JFABRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl ZINC000020023155 555601175 /nfs/dbraw/zinc/60/11/75/555601175.db2.gz NNEUEPQFHVCZLO-OAHLLOKOSA-N 0 0 468.959 2.626 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c(Cl)c1 ZINC000020023216 555601192 /nfs/dbraw/zinc/60/11/92/555601192.db2.gz ZHJSWFVSOVXINI-AWEZNQCLSA-N 0 0 486.974 2.538 40 0 JFABRN COc1ccc([C@H](C)NC(=O)c2cc(OC)c(OC)cc2N(C)S(C)(=O)=O)cc1OC ZINC000020030146 555605259 /nfs/dbraw/zinc/60/52/59/555605259.db2.gz SVZGZEHCGFAGPH-ZDUSSCGKSA-N 0 0 452.529 2.608 40 0 JFABRN O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1)N1CCCC1 ZINC000010119317 555630087 /nfs/dbraw/zinc/63/00/87/555630087.db2.gz QGLKDRGUYVKMFQ-UHFFFAOYSA-N 0 0 471.398 2.985 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020082160 555630487 /nfs/dbraw/zinc/63/04/87/555630487.db2.gz DEYBQHPWEHUWDX-QHCPKHFHSA-N 0 0 477.544 2.520 40 0 JFABRN Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(CC(=O)NC2CCCC2)c2cccc(F)c2)cc1 ZINC000020097715 555632517 /nfs/dbraw/zinc/63/25/17/555632517.db2.gz JXQRPPMLRCJZDB-XIFFEERXSA-N 0 0 473.570 2.913 40 0 JFABRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 ZINC000010130484 555634962 /nfs/dbraw/zinc/63/49/62/555634962.db2.gz HHOWUTCQIKZCDJ-UHFFFAOYSA-N 0 0 489.937 2.679 40 0 JFABRN COc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@@H]5C4=O)c3)CC2=O)cc1 ZINC000013856986 555635544 /nfs/dbraw/zinc/63/55/44/555635544.db2.gz JKPKOMYUURAMBY-UUSOTWBNSA-N 0 0 472.497 2.965 40 0 JFABRN COc1ccc(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 ZINC000020105252 555638388 /nfs/dbraw/zinc/63/83/88/555638388.db2.gz SZQIVWVBYGEVDU-OAHLLOKOSA-N 0 0 466.581 2.844 40 0 JFABRN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1OC ZINC000020109105 555644556 /nfs/dbraw/zinc/64/45/56/555644556.db2.gz WGXQGKLXGJGLGX-NRFANRHFSA-N 0 0 460.596 2.995 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(I)cc1 ZINC000020110243 555646190 /nfs/dbraw/zinc/64/61/90/555646190.db2.gz ASRHTFHOMAZSHZ-UHFFFAOYSA-N 0 0 462.284 2.513 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3-n3ccnc3C)C2)cc1 ZINC000020110895 555647167 /nfs/dbraw/zinc/64/71/67/555647167.db2.gz RNMNHXHEIAYLAU-HXUWFJFHSA-N 0 0 468.579 2.906 40 0 JFABRN CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(C(=O)OC)=Nc3nnnn32)ccc1O ZINC000010231963 555655521 /nfs/dbraw/zinc/65/55/21/555655521.db2.gz CRKMSPFSASZADP-GOSISDBHSA-N 0 0 455.858 2.756 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)c1ccc(Br)cc1 ZINC000010231995 555655869 /nfs/dbraw/zinc/65/58/69/555655869.db2.gz OOJXWJVXTDWTIR-INIZCTEOSA-N 0 0 485.254 2.669 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(Br)cc2)C1C(=O)c1cccc(OC)c1 ZINC000010232298 555656891 /nfs/dbraw/zinc/65/68/91/555656891.db2.gz QOKGILKNVPXHFO-KRWDZBQOSA-N 0 0 470.283 2.769 40 0 JFABRN NC(=O)c1cc(I)cc(I)c1Br ZINC000020154663 555674487 /nfs/dbraw/zinc/67/44/87/555674487.db2.gz JIGRTPZSSGSLRE-UHFFFAOYSA-N 0 0 451.827 2.757 40 0 JFABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1 ZINC000010296142 555675766 /nfs/dbraw/zinc/67/57/66/555675766.db2.gz HWDGNPNZJSMHLV-UHFFFAOYSA-N 0 0 455.330 2.949 40 0 JFABRN CCOc1ccc(N(CC(=O)NCCCOC)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300164 555676904 /nfs/dbraw/zinc/67/69/04/555676904.db2.gz MGVIXOULPLKUHO-UHFFFAOYSA-N 0 0 450.557 2.750 40 0 JFABRN CCOc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300192 555676949 /nfs/dbraw/zinc/67/69/49/555676949.db2.gz AYSMKBXBWFTCKT-HXUWFJFHSA-N 0 0 462.568 2.893 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000010328836 555686826 /nfs/dbraw/zinc/68/68/26/555686826.db2.gz CLILVGNCCLXLJV-UHFFFAOYSA-N 0 0 461.584 2.765 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1Cl ZINC000010333856 555689161 /nfs/dbraw/zinc/68/91/61/555689161.db2.gz GOTCMRBFZNHTHQ-CYBMUJFWSA-N 0 0 490.003 2.538 40 0 JFABRN CN(C)S(=O)(=O)N1CCC(C(=O)NCCSCc2c(Cl)cccc2Cl)CC1 ZINC000010361721 555696729 /nfs/dbraw/zinc/69/67/29/555696729.db2.gz VDFHTIOMQDOHPL-UHFFFAOYSA-N 0 0 454.445 2.861 40 0 JFABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000010445885 555712952 /nfs/dbraw/zinc/71/29/52/555712952.db2.gz DPPVZECGAREQAR-HNNXBMFYSA-N 0 0 462.524 2.736 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000010541939 555724872 /nfs/dbraw/zinc/72/48/72/555724872.db2.gz HPBCHCATYISVTE-UHFFFAOYSA-N 0 0 460.552 2.611 40 0 JFABRN C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000010793060 555740388 /nfs/dbraw/zinc/74/03/88/555740388.db2.gz IQEGSSYBEQOCCA-RKVPGOIHSA-N 0 0 472.991 2.601 40 0 JFABRN C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000010793068 555740419 /nfs/dbraw/zinc/74/04/19/555740419.db2.gz IQEGSSYBEQOCCA-HDMKZQKVSA-N 0 0 472.991 2.601 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000020245392 555741279 /nfs/dbraw/zinc/74/12/79/555741279.db2.gz DTYYBPOZELFCRG-UHFFFAOYSA-N 0 0 450.536 2.606 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 ZINC000010860543 555743956 /nfs/dbraw/zinc/74/39/56/555743956.db2.gz HTZXQYJKEUGTSV-LJQANCHMSA-N 0 0 454.479 2.896 40 0 JFABRN O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cc1Cl ZINC000010869812 555744567 /nfs/dbraw/zinc/74/45/67/555744567.db2.gz CQBDYVBEPMFTNU-UHFFFAOYSA-N 0 0 451.660 2.880 40 0 JFABRN Cc1ccc(Cn2c3nnc(-c4ccc(Br)cc4)n3c3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000010968757 555750126 /nfs/dbraw/zinc/75/01/26/555750126.db2.gz UWGZUAHKCFBIJP-UHFFFAOYSA-N 0 0 479.338 2.868 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000014257309 555756767 /nfs/dbraw/zinc/75/67/67/555756767.db2.gz RFIRGSVLAMMNGA-YMFQVDJJSA-N 0 0 450.516 2.513 40 0 JFABRN Cc1nc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)ccc1I ZINC000014270756 555763660 /nfs/dbraw/zinc/76/36/60/555763660.db2.gz NEXGGDOZTLXUPG-UHFFFAOYSA-N 0 0 455.277 2.893 40 0 JFABRN O=c1cc(CSc2nnnn2-c2ccccc2)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]1 ZINC000020414469 555790680 /nfs/dbraw/zinc/79/06/80/555790680.db2.gz KQQLKWLNLOTSRF-UHFFFAOYSA-N 0 0 464.530 2.504 40 0 JFABRN CCCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OC ZINC000014291962 555793765 /nfs/dbraw/zinc/79/37/65/555793765.db2.gz YOQLAYZYQOGXJJ-UHFFFAOYSA-N 0 0 451.976 2.999 40 0 JFABRN CN(Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1)S(C)(=O)=O ZINC000014396689 555802525 /nfs/dbraw/zinc/80/25/25/555802525.db2.gz FGWRZEGXJFDJJY-UHFFFAOYSA-N 0 0 471.535 2.619 40 0 JFABRN CCS(=O)(=O)N(CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1)c1ccc2c(c1)OCCO2 ZINC000014399257 555804909 /nfs/dbraw/zinc/80/49/09/555804909.db2.gz OVRYTJRPTPUPIF-UHFFFAOYSA-N 0 0 494.013 2.925 40 0 JFABRN COc1ccccc1N1CCN(C2=[NH+][C@H](C(=O)Nc3ccccc3C(F)(F)F)C=C([O-])N2)CC1 ZINC000014607035 555835959 /nfs/dbraw/zinc/83/59/59/555835959.db2.gz COPBYIJJOQDTEE-KRWDZBQOSA-N 0 0 475.471 2.719 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)Cc2ccccc2)cc1 ZINC000021025757 555849517 /nfs/dbraw/zinc/84/95/17/555849517.db2.gz BNBSDLDGPZGUGT-UHFFFAOYSA-N 0 0 468.531 2.931 40 0 JFABRN COc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)cc(Br)c1OCC(N)=O ZINC000022110137 555877225 /nfs/dbraw/zinc/87/72/25/555877225.db2.gz RAQAOJVXMVHVMI-UHFFFAOYSA-N 0 0 464.345 2.987 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022227930 555887006 /nfs/dbraw/zinc/88/70/06/555887006.db2.gz GZNOYYQTNLSNEO-UHFFFAOYSA-N 0 0 458.989 2.654 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000022228051 555887338 /nfs/dbraw/zinc/88/73/38/555887338.db2.gz ZUSPCYWERIFBKN-UHFFFAOYSA-N 0 0 470.588 2.966 40 0 JFABRN CCOc1ccccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000022228604 555887377 /nfs/dbraw/zinc/88/73/77/555887377.db2.gz HTFNJBJQWGGHKM-UHFFFAOYSA-N 0 0 459.568 2.557 40 0 JFABRN COc1cccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 ZINC000022229140 555888106 /nfs/dbraw/zinc/88/81/06/555888106.db2.gz RMSIXAWQYZICBY-UHFFFAOYSA-N 0 0 459.568 2.604 40 0 JFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000022230710 555889204 /nfs/dbraw/zinc/88/92/04/555889204.db2.gz URXKSRHAZUPZJI-UHFFFAOYSA-N 0 0 451.976 2.772 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000022247683 555897841 /nfs/dbraw/zinc/89/78/41/555897841.db2.gz QMPNLDOZFJUZON-QHCPKHFHSA-N 0 0 488.606 2.777 40 0 JFABRN CCOc1ccccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000022250117 555899843 /nfs/dbraw/zinc/89/98/43/555899843.db2.gz YALJZLIEAUBDPZ-UHFFFAOYSA-N 0 0 454.932 2.777 40 0 JFABRN COc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(N(C)S(C)(=O)=O)cc1OC ZINC000022251447 555900617 /nfs/dbraw/zinc/90/06/17/555900617.db2.gz CFOKMAGVBPTGFB-DHZHZOJOSA-N 0 0 473.595 2.571 40 0 JFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000022253117 555901323 /nfs/dbraw/zinc/90/13/23/555901323.db2.gz ILMPGGHLFDCYBN-AWEZNQCLSA-N 0 0 466.556 2.998 40 0 JFABRN COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC ZINC000015440072 555909229 /nfs/dbraw/zinc/90/92/29/555909229.db2.gz HANWGNFVFXSABA-UHFFFAOYSA-N 0 0 450.532 2.902 40 0 JFABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015639340 555921260 /nfs/dbraw/zinc/92/12/60/555921260.db2.gz AJFYMJQTGHNKAF-MJGOQNOKSA-N 0 0 489.569 2.774 40 0 JFABRN CC(C)c1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000022330445 555922609 /nfs/dbraw/zinc/92/26/09/555922609.db2.gz HIZAHASOOLLZOO-MRXNPFEDSA-N 0 0 452.598 2.857 40 0 JFABRN C[C@H](NC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022340344 555923240 /nfs/dbraw/zinc/92/32/40/555923240.db2.gz RIPPPBQPKRWAPY-INIZCTEOSA-N 0 0 460.577 2.887 40 0 JFABRN CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(N)=O ZINC000022344616 555923494 /nfs/dbraw/zinc/92/34/94/555923494.db2.gz XFZNOBQXELISBX-LZYBPNLTSA-N 0 0 458.312 2.935 40 0 JFABRN COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)c(OC)c1OC ZINC000015675002 555933262 /nfs/dbraw/zinc/93/32/62/555933262.db2.gz FHNXXBJVTZOLQJ-CVEARBPZSA-N 0 0 455.467 2.799 40 0 biogenic,in-vitro JFABRN Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)OCc3ccccc3)ccc12 ZINC000015721197 555955172 /nfs/dbraw/zinc/95/51/72/555955172.db2.gz YWOXKKRKNGWXEG-FQEVSTJZSA-N 0 0 463.490 2.957 40 0 JFABRN CCOC(=O)C1=C(COC(=O)C23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)NC(=O)N[C@@H]1C ZINC000022860798 555962571 /nfs/dbraw/zinc/96/25/71/555962571.db2.gz JLCDHDVTNDALNE-QFDOALFCSA-N 0 0 455.349 2.782 40 0 JFABRN COCCn1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccccc2OC)CC1 ZINC000022928848 555980492 /nfs/dbraw/zinc/98/04/92/555980492.db2.gz GVTBKAILFKYIPA-QFIPXVFZSA-N 0 0 456.978 2.889 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1F)c1cccc(Cl)c1 ZINC000023511000 556076378 /nfs/dbraw/zinc/07/63/78/556076378.db2.gz WODZJSIZEZJAAS-UHFFFAOYSA-N 0 0 455.939 2.732 40 0 JFABRN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O ZINC000016033691 556117671 /nfs/dbraw/zinc/11/76/71/556117671.db2.gz ORYPYSWFPIWMNC-YVJPQEEGSA-N 0 0 479.558 2.891 40 0 JFABRN CCN(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(=O)(=O)c1cc(C)ccc1OC ZINC000016678331 556150592 /nfs/dbraw/zinc/15/05/92/556150592.db2.gz RFAAALLZFNIPRP-UHFFFAOYSA-N 0 0 459.612 2.980 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000016688850 556152477 /nfs/dbraw/zinc/15/24/77/556152477.db2.gz DFHMKKZXOKHPAR-YJADQXIJSA-N 0 0 494.569 2.911 40 0 JFABRN COc1ccc(Cc2nn3c(nc2=O)s/c(=C/c2cccc4ccccc24)c3=O)cc1OC ZINC000012940291 556153981 /nfs/dbraw/zinc/15/39/81/556153981.db2.gz GGHXHRKVOMLJHN-HYARGMPZSA-N 0 0 457.511 2.820 40 0 JFABRN CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000025558133 556220214 /nfs/dbraw/zinc/22/02/14/556220214.db2.gz QGAODEALOJFHBD-UZMCWQCBSA-N 0 0 450.572 2.795 40 0 JFABRN COc1cc2cc(CN(Cc3nnnn3C[C@H]3CCCO3)C3CCCC3)c(=O)[nH]c2cc1OC ZINC000013033547 556232069 /nfs/dbraw/zinc/23/20/69/556232069.db2.gz XYMOFHYDWBYYNS-LJQANCHMSA-N 0 0 468.558 2.656 40 0 JFABRN CC(=O)Nc1ccc(/C=c2/sc3nnc(CCC(=O)Nc4ccccc4Cl)n3c2=O)cc1 ZINC000017196828 556238474 /nfs/dbraw/zinc/23/84/74/556238474.db2.gz GMFKWGHTOCXOHC-LDADJPATSA-N 0 0 467.938 2.882 40 0 JFABRN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000025966193 556239579 /nfs/dbraw/zinc/23/95/79/556239579.db2.gz VMSDAFONVILMJA-AWEZNQCLSA-N 0 0 459.465 2.860 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000026109999 556242295 /nfs/dbraw/zinc/24/22/95/556242295.db2.gz SZMNDCJXECNJQK-MRXNPFEDSA-N 0 0 492.425 2.836 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)NC(C)C ZINC000026112228 556243636 /nfs/dbraw/zinc/24/36/36/556243636.db2.gz VJLAWHVMGROZBE-UHFFFAOYSA-N 0 0 495.623 2.809 40 0 JFABRN CSc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C(=O)N1CCOCC1 ZINC000026117390 556246994 /nfs/dbraw/zinc/24/69/94/556246994.db2.gz JNPZJHFOTDRFPP-UHFFFAOYSA-N 0 0 479.599 2.531 40 0 JFABRN COC(=O)c1ccccc1S(=O)(=O)n1c(CCN2CCOCC2)nc2cc(C)c(C)cc21 ZINC000026439917 556253874 /nfs/dbraw/zinc/25/38/74/556253874.db2.gz OTJOWXVYVWTYPO-UHFFFAOYSA-N 0 0 457.552 2.551 40 0 JFABRN COc1cccc(C(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000017917835 556271352 /nfs/dbraw/zinc/27/13/52/556271352.db2.gz XIFSVJBSGJOGLU-OYHFZEMUSA-N 0 0 459.498 2.840 40 0 JFABRN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)CC(=O)N3CCCCC3)sc2Cl)cc1 ZINC000027489680 556280515 /nfs/dbraw/zinc/28/05/15/556280515.db2.gz COULCRAPVLIEIJ-UHFFFAOYSA-N 0 0 463.002 2.724 40 0 JFABRN O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)nc2c1nnn2Cc1ccccc1 ZINC000013083697 556280634 /nfs/dbraw/zinc/28/06/34/556280634.db2.gz DZMDWVAJXYRPBU-INIZCTEOSA-N 0 0 468.514 2.683 40 0 JFABRN COc1ccccc1NC(=O)N1CCC(NC(=O)[C@H](Cc2ccccc2C)NC(C)=O)CC1 ZINC000013084908 556282538 /nfs/dbraw/zinc/28/25/38/556282538.db2.gz XWXZFEDKNIDGSX-QFIPXVFZSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccccc1NC(=O)N1CCC(NC(=O)[C@H](Cc2ccc(C)cc2)NC(C)=O)CC1 ZINC000013085036 556282803 /nfs/dbraw/zinc/28/28/03/556282803.db2.gz MCQRQRIDPMGCLZ-QFIPXVFZSA-N 0 0 452.555 2.864 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@@H](Cc3ccccc3F)NC(C)=O)CC2)c1 ZINC000013085183 556283223 /nfs/dbraw/zinc/28/32/23/556283223.db2.gz WKZFDCDZKNCFRB-JOCHJYFZSA-N 0 0 456.518 2.694 40 0 JFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3cccc(OC)c3)CC2)c1 ZINC000013085139 556283224 /nfs/dbraw/zinc/28/32/24/556283224.db2.gz RGBYNTQZPGUIOD-HSZRJFAPSA-N 0 0 468.554 2.564 40 0 JFABRN CCOc1ccc(NC(=O)N2CCC(NC(=O)[C@@H](Cc3ccccc3OC)NC(C)=O)CC2)cc1 ZINC000013085281 556283518 /nfs/dbraw/zinc/28/35/18/556283518.db2.gz ZEJGDPQMQMTJDS-HSZRJFAPSA-N 0 0 482.581 2.954 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000013085334 556283830 /nfs/dbraw/zinc/28/38/30/556283830.db2.gz QZWVFSXKDPMTGD-JOCHJYFZSA-N 0 0 487.984 2.825 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@H](Cc3ccc(OC)cc3OC)NC(C)=O)CC2)c1 ZINC000013085349 556283852 /nfs/dbraw/zinc/28/38/52/556283852.db2.gz YMUJVYWPHKLCPL-QHCPKHFHSA-N 0 0 498.580 2.572 40 0 JFABRN COc1ccccc1NC(=O)N1CCC(NC(=O)[C@H](Cc2ccc(OC)c(OC)c2)NC(C)=O)CC1 ZINC000013085436 556284025 /nfs/dbraw/zinc/28/40/25/556284025.db2.gz VFIURRXVZPVJLG-NRFANRHFSA-N 0 0 498.580 2.572 40 0 JFABRN CC[C@@H](C)N(C(=O)COC(=O)/C=C/c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013104722 556304518 /nfs/dbraw/zinc/30/45/18/556304518.db2.gz FEVPCVQMMJEOIZ-IVXVGSNXSA-N 0 0 458.374 2.820 40 0 JFABRN O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000027976972 556310668 /nfs/dbraw/zinc/31/06/68/556310668.db2.gz HZANPMXKAYMGNB-KRWDZBQOSA-N 0 0 491.997 2.852 40 0 JFABRN Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccc(I)cc1 ZINC000028207450 556317946 /nfs/dbraw/zinc/31/79/46/556317946.db2.gz YMACSRIEPYYDLI-UHFFFAOYSA-N 0 0 474.320 2.867 40 0 JFABRN CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccccc2)CC1 ZINC000019084841 556330197 /nfs/dbraw/zinc/33/01/97/556330197.db2.gz VTJBYRCEKDTJCP-HSZRJFAPSA-N 0 0 487.564 2.910 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)c(C)c3[nH]c2=O)N2CCOCC2)cc1 ZINC000019234231 556336713 /nfs/dbraw/zinc/33/67/13/556336713.db2.gz KAVAASWNWHSZHD-HSZRJFAPSA-N 0 0 460.538 2.610 40 0 JFABRN CCCCN1C=N[C@H]2[C@H]1C(OCC(=O)Nc1sccc1C(N)=O)=NC(=O)N2Cc1ccccc1 ZINC000028616831 556337272 /nfs/dbraw/zinc/33/72/72/556337272.db2.gz YIXVHSGUTDSSFR-AZUAARDMSA-N 0 0 482.566 2.675 40 0 JFABRN Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c12 ZINC000019236451 556337444 /nfs/dbraw/zinc/33/74/44/556337444.db2.gz UOMQZLMCOTXXLW-RDGATRHJSA-N 0 0 485.592 2.914 40 0 JFABRN COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC ZINC000029264429 556349769 /nfs/dbraw/zinc/34/97/69/556349769.db2.gz KRQUUUHHJYXXCY-UHFFFAOYSA-N 0 0 468.959 2.650 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)cc2c1 ZINC000019519919 556350815 /nfs/dbraw/zinc/35/08/15/556350815.db2.gz ZXZKESXBIAAIAA-QFIPXVFZSA-N 0 0 464.501 2.522 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000030757002 556373485 /nfs/dbraw/zinc/37/34/85/556373485.db2.gz FRMCASJLXQPWTF-NRFANRHFSA-N 0 0 487.622 2.676 40 0 JFABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000030852116 556377830 /nfs/dbraw/zinc/37/78/30/556377830.db2.gz VBJWHGWFSLUTHZ-IBGZPJMESA-N 0 0 452.504 2.651 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000019818542 556386287 /nfs/dbraw/zinc/38/62/87/556386287.db2.gz UEMKWYLOCJIRMM-LEWJYISDSA-N 0 0 483.521 2.911 40 0 JFABRN Cc1cc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000019823248 556393379 /nfs/dbraw/zinc/39/33/79/556393379.db2.gz MUNIPVOKPMOPHL-JOCHJYFZSA-N 0 0 472.655 2.723 40 0 JFABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCCN3CCOCC3)cc12 ZINC000019824221 556395053 /nfs/dbraw/zinc/39/50/53/556395053.db2.gz CRAVEQVOQGGLAF-OAQYLSRUSA-N 0 0 472.655 2.723 40 0 JFABRN Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000019826443 556397041 /nfs/dbraw/zinc/39/70/41/556397041.db2.gz OZUPEJOCVUQPRO-BVAGGSTKSA-N 0 0 499.619 2.909 40 0 JFABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1Cl ZINC000032125300 556429289 /nfs/dbraw/zinc/42/92/89/556429289.db2.gz RGOJQPZFCAEROM-UHFFFAOYSA-N 0 0 467.016 2.857 40 0 JFABRN CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000032125304 556429303 /nfs/dbraw/zinc/42/93/03/556429303.db2.gz RBLIKTYNDXPABO-UHFFFAOYSA-N 0 0 452.989 2.548 40 0 JFABRN O=C(NCc1cccc(N2CCCC2=O)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000032311088 556434363 /nfs/dbraw/zinc/43/43/63/556434363.db2.gz FHQXNENYBDIYQQ-UHFFFAOYSA-N 0 0 459.543 2.670 40 0 JFABRN Cc1cccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@H](C5=Cc6sc(=O)[nH]c6S[C@H]54)[C@@H]3C2=O)c1 ZINC000032598020 556449678 /nfs/dbraw/zinc/44/96/78/556449678.db2.gz HLKYYESPTLHTQY-GLGHREOXSA-N 0 0 467.572 2.882 40 0 JFABRN c1c(CC2(NCc3cccc4c3OCO4)COC2)noc1CN1CCN(c2ccccc2)CC1 ZINC000067898448 560049945 /nfs/dbraw/zinc/04/99/45/560049945.db2.gz UXDUIVPWMKAQEM-UHFFFAOYSA-N 0 0 462.550 2.827 40 0 biogenic,in-vitro JFABRN CN1C[C@H](NC(=O)c2ccc3c(c2)OCO3)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O ZINC000096113354 560060494 /nfs/dbraw/zinc/06/04/94/560060494.db2.gz SCRLTTWSYOPGRD-OXQOHEQNSA-N 0 0 487.503 2.757 40 0 biogenic,in-vitro JFABRN O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccncc3)[C@@H]2CO)cc1)c1ccc2c(c1)OCO2 ZINC000072321285 560076652 /nfs/dbraw/zinc/07/66/52/560076652.db2.gz WQPUZIXDJJBCOQ-HYBUGGRVSA-N 0 0 461.474 2.524 40 0 biogenic,in-vitro JFABRN CC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@@H]2CCCO2)c1 ZINC000008582736 562939919 /nfs/dbraw/zinc/93/99/19/562939919.db2.gz OSBOQHBNQJPOMY-FQEVSTJZSA-N 0 0 498.557 2.872 40 0 JFABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000008582754 562939920 /nfs/dbraw/zinc/93/99/20/562939920.db2.gz PNWRQMXMOCLZFM-IBGZPJMESA-N 0 0 486.546 2.693 40 0 JFABRN COc1ccc2cc(CN(C[C@H]3COCCO3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000008582822 562939967 /nfs/dbraw/zinc/93/99/67/562939967.db2.gz DUZGEINFFUFFGA-IBGZPJMESA-N 0 0 478.954 2.796 40 0 JFABRN Cc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@H]2CCCO2)cc1 ZINC000008671633 562949529 /nfs/dbraw/zinc/94/95/29/562949529.db2.gz OBOJDHCVOMKVGH-LJQANCHMSA-N 0 0 470.547 2.978 40 0 JFABRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000008671604 562949582 /nfs/dbraw/zinc/94/95/82/562949582.db2.gz PJSUJCOCIIMTHZ-IBGZPJMESA-N 0 0 463.625 2.761 40 0 aggregator JFABRN CC(C)(C)NC(=O)[C@@H]1N(c2cccnc2)C(=O)[C@@H]2[C@H](C(=O)Nc3ccccc3F)[C@@]3(C)C=C[C@@]12O3 ZINC000036383324 563128302 /nfs/dbraw/zinc/12/83/02/563128302.db2.gz JSWKVDFMYAQIAI-DDLMJQNMSA-N 0 0 478.524 2.819 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000054363274 569590224 /nfs/dbraw/zinc/59/02/24/569590224.db2.gz OZCHEXXAFUMWLO-NSHDSACASA-N 0 0 483.395 2.656 40 0 JFABRN CCOc1ccc(S(=O)(=O)NC[C@H](C)NS(=O)(=O)c2ccc(OCC)c(C)c2)cc1C ZINC000054363289 569590299 /nfs/dbraw/zinc/59/02/99/569590299.db2.gz IHBFWSOSQYFCPR-KRWDZBQOSA-N 0 0 470.613 2.746 40 0 JFABRN COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)CC(C)=O)[C@H]1OC ZINC000008614382 569592078 /nfs/dbraw/zinc/59/20/78/569592078.db2.gz QBZQSENKKXVNNZ-FKSFPIODSA-N 0 0 498.576 2.811 40 0 JFABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)C=Cc2ccc(OC)cc2)c1 ZINC000057328048 569598761 /nfs/dbraw/zinc/59/87/61/569598761.db2.gz GBVOVVMZCDYDCP-BJMVGYQFSA-N 0 0 455.536 2.845 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000059418383 569603312 /nfs/dbraw/zinc/60/33/12/569603312.db2.gz QSUDMGOBLMWOJE-QCHPHUCNSA-N 0 0 494.569 2.824 40 0 JFABRN Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000059498113 569606142 /nfs/dbraw/zinc/60/61/42/569606142.db2.gz PACREGKCJCPWOS-UHFFFAOYSA-N 0 0 463.365 2.815 40 0 JFABRN COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@@H]2C[C@@H](OC(=O)CC(C)=O)[C@H]1OC ZINC000061895083 569609174 /nfs/dbraw/zinc/60/91/74/569609174.db2.gz QBZQSENKKXVNNZ-GVAUCJRUSA-N 0 0 498.576 2.811 40 0 JFABRN Cc1ccc(Cn2c3nn(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)n3c3ccccc3c2=O)cc1 ZINC000064580790 569620727 /nfs/dbraw/zinc/62/07/27/569620727.db2.gz YUOSIFTVIMVUPJ-UHFFFAOYSA-N 0 0 497.511 2.578 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000033150859 569621801 /nfs/dbraw/zinc/62/18/01/569621801.db2.gz RCYMZOAOWWDMMT-HNNXBMFYSA-N 0 0 462.524 2.530 40 0 JFABRN COc1ccc(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3CCC(=O)NC(C)C)cc1 ZINC000033292014 569622236 /nfs/dbraw/zinc/62/22/36/569622236.db2.gz GLBJEEHVRLKTLO-UHFFFAOYSA-N 0 0 494.577 2.698 40 0 JFABRN NC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc21 ZINC000033588049 569628369 /nfs/dbraw/zinc/62/83/69/569628369.db2.gz BAUBRINLCHMSIM-NVMNQCDNSA-N 0 0 452.467 2.941 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(OC)c3O[C@H](C)C(=O)OC)C2=O)o1 ZINC000033783243 569634782 /nfs/dbraw/zinc/63/47/82/569634782.db2.gz PVUYRIZWUJOZHL-SHLUWWQESA-N 0 0 492.868 2.761 40 0 JFABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)cc1 ZINC000033850739 569636280 /nfs/dbraw/zinc/63/62/80/569636280.db2.gz LXVHDRJHICHHSO-GOSISDBHSA-N 0 0 489.985 2.980 40 0 JFABRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2OCCc3ccccc32)cc1 ZINC000033936875 569638163 /nfs/dbraw/zinc/63/81/63/569638163.db2.gz DGSGBNHKMZXCHL-HTAPYJJXSA-N 0 0 464.609 2.842 40 0 JFABRN CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000033937149 569638441 /nfs/dbraw/zinc/63/84/41/569638441.db2.gz BMSVTIBRIMWQGY-ZVDOUQERSA-N 0 0 496.568 2.555 40 0 JFABRN CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000033937378 569639145 /nfs/dbraw/zinc/63/91/45/569639145.db2.gz NSXKAYGOJVHDDI-GGAORHGYSA-N 0 0 484.601 2.818 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4cccnc4)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@]2(C)O4)no1 ZINC000033939915 569639228 /nfs/dbraw/zinc/63/92/28/569639228.db2.gz PQVKFZZNNTYWGG-GQDRMJRRSA-N 0 0 491.548 2.511 40 0 JFABRN O=C(NC1CCCCC1)C(=O)N(C[C@@H]1CCCO1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1F ZINC000033939794 569639236 /nfs/dbraw/zinc/63/92/36/569639236.db2.gz LSFUSDITIMIMKV-ZRCGQRJVSA-N 0 0 489.588 2.619 40 0 JFABRN CC(C)CN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(F)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NCc1ccccc1 ZINC000033939970 569639358 /nfs/dbraw/zinc/63/93/58/569639358.db2.gz TUSAMHOPZWSNTH-ZKWJSJOJSA-N 0 0 477.536 2.887 40 0 JFABRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O)N1CCc2ccccc2C1 ZINC000034799482 569661086 /nfs/dbraw/zinc/66/10/86/569661086.db2.gz VSRSTRDUWXTKEA-UYRXBGFRSA-N 0 0 453.520 2.737 40 0 JFABRN CCOC(=O)[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OCC ZINC000034807629 569661351 /nfs/dbraw/zinc/66/13/51/569661351.db2.gz BEYMUEDAKPBGRS-RQNDZEIBSA-N 0 0 486.477 2.888 40 0 JFABRN CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000035131851 569675543 /nfs/dbraw/zinc/67/55/43/569675543.db2.gz IMQYRBBDJFKOOB-LJQANCHMSA-N 0 0 469.567 2.809 40 0 JFABRN O=S(=O)(c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C2)cc1)N1CCCCC1 ZINC000035311638 569680165 /nfs/dbraw/zinc/68/01/65/569680165.db2.gz VFQIGZNUQBDPLT-UHFFFAOYSA-N 0 0 463.625 2.715 40 0 JFABRN C[C@@H](C(=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])c1ccc(-c2ccccc2)c(F)c1 ZINC000068605395 569691535 /nfs/dbraw/zinc/69/15/35/569691535.db2.gz FSWIIIJWETWQKP-CQSZACIVSA-N 0 0 497.388 2.751 40 0 JFABRN COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)c4ccoc4C)CC3)O2)cc1 ZINC000096062618 569732585 /nfs/dbraw/zinc/73/25/85/569732585.db2.gz BXBHGGDBPZBFBI-NRFANRHFSA-N 0 0 464.522 2.640 40 0 JFABRN CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4cccc(F)c4)cc32)n1 ZINC000096156477 569736733 /nfs/dbraw/zinc/73/67/33/569736733.db2.gz HFQIKWMTHLTKNC-LJQANCHMSA-N 0 0 457.531 2.840 40 0 JFABRN O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000100210181 569755424 /nfs/dbraw/zinc/75/54/24/569755424.db2.gz HYBOVSJRJVUKAN-ZLAJIECUSA-N 0 0 485.418 2.865 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000036107354 569756733 /nfs/dbraw/zinc/75/67/33/569756733.db2.gz DOMDTBHKVDNODW-AEFFLSMTSA-N 0 0 462.568 2.991 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(O)c(OC)c2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000100421718 569759798 /nfs/dbraw/zinc/75/97/98/569759798.db2.gz NXIQXVHLXVZLII-AIFLQVKLSA-N 0 0 484.574 2.824 40 0 JFABRN COC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000100422591 569759916 /nfs/dbraw/zinc/75/99/16/569759916.db2.gz BYCNFUAPZHZIRN-RNLGNXJRSA-N 0 0 486.480 2.640 40 0 JFABRN CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@H]1CC(=O)NC1=O ZINC000100497648 569762466 /nfs/dbraw/zinc/76/24/66/569762466.db2.gz NEDBDIVFRQKONM-UXHICEINSA-N 0 0 468.531 2.605 40 0 JFABRN CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@H]1CC(=O)NC1=O ZINC000100497552 569762490 /nfs/dbraw/zinc/76/24/90/569762490.db2.gz PXWUZEMOQXMNKP-SFTDATJTSA-N 0 0 480.517 2.667 40 0 JFABRN COC(=O)[C@H]1NC(c2ccccc2)(c2ccccc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000100584861 569765321 /nfs/dbraw/zinc/76/53/21/569765321.db2.gz QLGNKQPVFSIVOY-ZRBLBEILSA-N 0 0 456.498 2.889 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@H]3[C@H](C)C(=O)C[C@H](c5ccco5)N3C(=O)[C@@H]24)c1 ZINC000036369732 569773261 /nfs/dbraw/zinc/77/32/61/569773261.db2.gz NSUJNRIEBKWESB-PHTNIORWSA-N 0 0 490.512 2.896 40 0 JFABRN CCOC(=O)[C@H](C)Oc1c(Br)cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC ZINC000036612604 569777797 /nfs/dbraw/zinc/77/77/97/569777797.db2.gz DBWABUJYABVJDI-BONVTDFDSA-N 0 0 471.304 2.589 40 0 JFABRN CCc1ccc2c(c1)n(CC(=O)NCc1ccccc1)c(=O)n2CC(=O)NCc1ccccc1 ZINC000036692403 569780115 /nfs/dbraw/zinc/78/01/15/569780115.db2.gz XBVAFHJCOVNGCT-UHFFFAOYSA-N 0 0 456.546 2.998 40 0 JFABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000036757256 569780709 /nfs/dbraw/zinc/78/07/09/569780709.db2.gz AJFYMJQTGHNKAF-PKOBYXMFSA-N 0 0 489.569 2.774 40 0 JFABRN CCOC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000101452052 569797778 /nfs/dbraw/zinc/79/77/78/569797778.db2.gz WVCLOWQJSRKPPN-MSZDEVHKSA-N 0 0 495.963 2.633 40 0 JFABRN CCOc1ccc(NC(=O)CNC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000101472655 569798980 /nfs/dbraw/zinc/79/89/80/569798980.db2.gz NZQDIPAAXWNHPW-KDURUIRLSA-N 0 0 473.595 2.925 40 0 JFABRN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H](C(=O)N3CCCCC3)C(C)C)CC2)cc1 ZINC000101476543 569799021 /nfs/dbraw/zinc/79/90/21/569799021.db2.gz LCPONFJLYBFGDK-MZKRTTBSSA-N 0 0 493.670 2.933 40 0 JFABRN CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccccn1 ZINC000101477360 569799038 /nfs/dbraw/zinc/79/90/38/569799038.db2.gz ZHGGRNBPOCCFTM-MZKRTTBSSA-N 0 0 486.638 2.624 40 0 JFABRN CN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000101481835 569799171 /nfs/dbraw/zinc/79/91/71/569799171.db2.gz DDDNREBIPZZYKB-PUZFROQSSA-N 0 0 475.586 2.685 40 0 JFABRN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000101487984 569799400 /nfs/dbraw/zinc/79/94/00/569799400.db2.gz DEULZZUMSBEORK-TYKWCNGQSA-N 0 0 487.622 2.555 40 0 JFABRN C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCCc1ccccc1 ZINC000101487430 569799415 /nfs/dbraw/zinc/79/94/15/569799415.db2.gz ZYMMEQUUIIJDNJ-SESVDKBCSA-N 0 0 489.613 2.774 40 0 JFABRN C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)NCc1ccccn1 ZINC000101490108 569799687 /nfs/dbraw/zinc/79/96/87/569799687.db2.gz CRFLSFIVPSZRKI-OKZBNKHCSA-N 0 0 493.029 2.641 40 0 JFABRN COc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000038186023 569800523 /nfs/dbraw/zinc/80/05/23/569800523.db2.gz JWBYLOQVHYOGIL-INIZCTEOSA-N 0 0 486.326 2.960 40 0 JFABRN Cc1cc(Br)ccc1NC(=O)COc1cccc([C@@H]2CC(=O)N=C3NC=NN32)c1 ZINC000038199667 569800699 /nfs/dbraw/zinc/80/06/99/569800699.db2.gz HEHIAMMPMVIOSP-KRWDZBQOSA-N 0 0 456.300 2.951 40 0 JFABRN Cc1cc(NC(=O)COc2ccccc2[C@H]2CC(=O)N=C3NC=NN32)ccc1Br ZINC000038206929 569800972 /nfs/dbraw/zinc/80/09/72/569800972.db2.gz RBEFPHXFYUPUMQ-MRXNPFEDSA-N 0 0 456.300 2.951 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)nc1n(C)c2=O ZINC000038486836 569801580 /nfs/dbraw/zinc/80/15/80/569801580.db2.gz AOBGFMDMRQXSCL-MRXNPFEDSA-N 0 0 490.564 2.638 40 0 JFABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(Cl)c1 ZINC000038753579 569806489 /nfs/dbraw/zinc/80/64/89/569806489.db2.gz RWDDVNVSXAUQIW-AWEZNQCLSA-N 0 0 451.932 2.873 40 0 JFABRN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(=O)NCc2cccs2)c2ccccc12 ZINC000039556571 569810462 /nfs/dbraw/zinc/81/04/62/569810462.db2.gz CUWFIFKKIIWYKW-GRSHGNNSSA-N 0 0 482.587 2.592 40 0 JFABRN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(=O)N2CCCCCC2)c2ccccc12 ZINC000039556517 569810463 /nfs/dbraw/zinc/81/04/63/569810463.db2.gz XLTDIICATRMAKM-MOSHPQCFSA-N 0 0 468.579 2.617 40 0 JFABRN CCN(CC(=O)NCCc1ccc(OC)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985324 569812916 /nfs/dbraw/zinc/81/29/16/569812916.db2.gz DYAJEQJYBLJNDW-UHFFFAOYSA-N 0 0 455.374 2.827 40 0 JFABRN CCN(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985325 569812976 /nfs/dbraw/zinc/81/29/76/569812976.db2.gz ZITAYGCDPVCRDQ-UHFFFAOYSA-N 0 0 485.400 2.836 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 ZINC000039986548 569813252 /nfs/dbraw/zinc/81/32/52/569813252.db2.gz GRVZCTFPSKVZTD-UHFFFAOYSA-N 0 0 460.980 2.551 40 0 JFABRN CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3ccc(Br)cc3)c(COC)nn21 ZINC000040372713 569824243 /nfs/dbraw/zinc/82/42/43/569824243.db2.gz ILUDJFWICVYHKY-UHFFFAOYSA-N 0 0 477.315 2.983 40 0 JFABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)CC(=O)N3)C1 ZINC000040388845 569824646 /nfs/dbraw/zinc/82/46/46/569824646.db2.gz HLKKPCNYGUNTCQ-FZMZJTMJSA-N 0 0 465.432 2.969 40 0 JFABRN COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 ZINC000040390745 569825111 /nfs/dbraw/zinc/82/51/11/569825111.db2.gz BCTVOLUQBHHUAF-KRWDZBQOSA-N 0 0 459.506 2.714 40 0 JFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(OC)cc1OC)CC(=O)N2 ZINC000040390649 569825114 /nfs/dbraw/zinc/82/51/14/569825114.db2.gz KFLKWJPMQZWBQU-ZFWWWQNUSA-N 0 0 455.515 2.621 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000047157197 569845432 /nfs/dbraw/zinc/84/54/32/569845432.db2.gz YXJOYAPBGBFADS-UHFFFAOYSA-N 0 0 484.578 2.920 40 0 JFABRN O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000104894464 569846698 /nfs/dbraw/zinc/84/66/98/569846698.db2.gz YKEMSXIOFBCAKL-JOCHJYFZSA-N 0 0 484.684 2.634 40 0 JFABRN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)[C@@]2(C[C@]1(C)O)NNC(=S)N2 ZINC000105106661 569852746 /nfs/dbraw/zinc/85/27/46/569852746.db2.gz JLEORZPEHVPALO-FHQRFLIISA-N 0 0 477.627 2.519 40 0 JFABRN CCc1ccc(NC(=O)CSc2nnc([C@@H](CO)NC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000107836014 569857633 /nfs/dbraw/zinc/85/76/33/569857633.db2.gz ZZJIYSVHWWTPAH-LJQANCHMSA-N 0 0 469.567 2.580 40 0 JFABRN CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)NCCc1ccccc1 ZINC000107963601 569858126 /nfs/dbraw/zinc/85/81/26/569858126.db2.gz SQPWMJLMNQNEKU-UHFFFAOYSA-N 0 0 453.568 2.688 40 0 JFABRN CCc1ccccc1NC(=O)CSc1nnc([C@@H](CO)NC(=O)c2ccc(OC)cc2)n1C ZINC000107987988 569858209 /nfs/dbraw/zinc/85/82/09/569858209.db2.gz JQXAFOCSIJORAR-LJQANCHMSA-N 0 0 469.567 2.580 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccccc1 ZINC000108161636 569858918 /nfs/dbraw/zinc/85/89/18/569858918.db2.gz STYANQWOISHOJU-UHFFFAOYSA-N 0 0 467.547 2.932 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1cccc2ccccc21 ZINC000108336268 569859445 /nfs/dbraw/zinc/85/94/45/569859445.db2.gz ANKYXNCJSBIRNB-UHFFFAOYSA-N 0 0 454.548 2.978 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(O)cc3Br)C2=O)o1 ZINC000109305927 569860479 /nfs/dbraw/zinc/86/04/79/569860479.db2.gz IBMDINNUIWZVHZ-XGICHPGQSA-N 0 0 451.229 2.636 40 0 JFABRN CCN1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000113937549 569862454 /nfs/dbraw/zinc/86/24/54/569862454.db2.gz HEWILSBSWRCWIW-UHFFFAOYSA-N 0 0 451.976 2.708 40 0 JFABRN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1 ZINC000138631826 569866105 /nfs/dbraw/zinc/86/61/05/569866105.db2.gz MCOAYNAYZNZMBE-CQSZACIVSA-N 0 0 464.305 2.977 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000138679104 569866246 /nfs/dbraw/zinc/86/62/46/569866246.db2.gz ZBTCNUKEJHYITP-GOSISDBHSA-N 0 0 494.548 2.618 40 0 JFABRN Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)s1 ZINC000138718499 569866293 /nfs/dbraw/zinc/86/62/93/569866293.db2.gz XPABXLPMKIKAHS-UHFFFAOYSA-N 0 0 462.528 2.950 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)cc2C)CC1=O ZINC000138781277 569866403 /nfs/dbraw/zinc/86/64/03/569866403.db2.gz SYOPMDVOHICIGO-OAHLLOKOSA-N 0 0 488.338 2.741 40 0 JFABRN COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000138952497 569866710 /nfs/dbraw/zinc/86/67/10/569866710.db2.gz IIYNQDKUMMUUKA-UHFFFAOYSA-N 0 0 455.467 2.722 40 0 JFABRN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)CC(=O)N3)C1 ZINC000139080063 569866992 /nfs/dbraw/zinc/86/69/92/569866992.db2.gz HLKKPCNYGUNTCQ-BXUZGUMPSA-N 0 0 465.432 2.969 40 0 JFABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@@H](C)C[C@H](C)C3)[nH]c(=O)c21 ZINC000139074087 569867019 /nfs/dbraw/zinc/86/70/19/569867019.db2.gz UYOVUKWBGPHMJY-SGMGOOAPSA-N 0 0 459.934 2.979 40 0 JFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)CC(=O)N2 ZINC000139113646 569867238 /nfs/dbraw/zinc/86/72/38/569867238.db2.gz GOWFFJGARZCUAZ-HUUCEWRRSA-N 0 0 485.541 2.629 40 0 JFABRN O=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000144004661 569867694 /nfs/dbraw/zinc/86/76/94/569867694.db2.gz AURILOUBZCPVJZ-PKOBYXMFSA-N 0 0 467.385 2.634 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169354912 569868197 /nfs/dbraw/zinc/86/81/97/569868197.db2.gz NKHFTZBGCLGXNM-FZONSQQESA-N 0 0 458.511 2.646 40 0 JFABRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)OC)C1=O ZINC000205676556 569874067 /nfs/dbraw/zinc/87/40/67/569874067.db2.gz HQPPZLAVTLREGP-NTUHNPAUSA-N 0 0 458.286 2.600 40 0 JFABRN O=C(CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O)Nc1ccccc1 ZINC000214493880 569876693 /nfs/dbraw/zinc/87/66/93/569876693.db2.gz AQDXBPUMKQMFTI-XSFVSMFZSA-N 0 0 481.530 2.599 40 0 JFABRN CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC ZINC000214669246 569876889 /nfs/dbraw/zinc/87/68/89/569876889.db2.gz NFHTXJICDQHHCW-CXUHLZMHSA-N 0 0 485.356 2.752 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000216460895 569879016 /nfs/dbraw/zinc/87/90/16/569879016.db2.gz XYTNGFIGACJQOD-UHFFFAOYSA-N 0 0 487.987 2.757 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)c(C)c1 ZINC000216474958 569879091 /nfs/dbraw/zinc/87/90/91/569879091.db2.gz ZGRHKHMJHYBOIU-GOSISDBHSA-N 0 0 494.639 2.561 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000222413419 569884144 /nfs/dbraw/zinc/88/41/44/569884144.db2.gz IDSCXOFMKHKZHS-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222391129 569884035 /nfs/dbraw/zinc/88/40/35/569884035.db2.gz PKIYTFQFIAUYCO-IBGZPJMESA-N 0 0 467.591 2.932 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222413058 569884155 /nfs/dbraw/zinc/88/41/55/569884155.db2.gz VTZBCFHPMFSQMA-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222504596 569885000 /nfs/dbraw/zinc/88/50/00/569885000.db2.gz DOHUIQDLJYYLPG-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222504923 569885013 /nfs/dbraw/zinc/88/50/13/569885013.db2.gz VBFWTARWOCYUAL-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222552202 569885639 /nfs/dbraw/zinc/88/56/39/569885639.db2.gz KVRYEAQICWHANM-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000222551130 569885657 /nfs/dbraw/zinc/88/56/57/569885657.db2.gz AMCABCCROFEIHZ-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000222550975 569885674 /nfs/dbraw/zinc/88/56/74/569885674.db2.gz WAJNWCSSNDSGMK-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000222554773 569885741 /nfs/dbraw/zinc/88/57/41/569885741.db2.gz WHPLMZDFRNTQBU-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN COc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000222570752 569886038 /nfs/dbraw/zinc/88/60/38/569886038.db2.gz VKQCJQXTORFXBY-GOSISDBHSA-N 0 0 462.568 2.772 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222591969 569886517 /nfs/dbraw/zinc/88/65/17/569886517.db2.gz VOTPXKJXGIYHSV-GHTZIAJQSA-N 0 0 485.606 2.596 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222592093 569886529 /nfs/dbraw/zinc/88/65/29/569886529.db2.gz VOTPXKJXGIYHSV-RXVVDRJESA-N 0 0 485.606 2.596 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(CC(N)=O)cc3)C2)cc1Cl ZINC000222605560 569886817 /nfs/dbraw/zinc/88/68/17/569886817.db2.gz OXGGFBSNSSWOJR-MRXNPFEDSA-N 0 0 479.986 2.806 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222613738 569886986 /nfs/dbraw/zinc/88/69/86/569886986.db2.gz CQZORRUEDRDNDP-SIKLNZKXSA-N 0 0 499.633 2.986 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000222623967 569887195 /nfs/dbraw/zinc/88/71/95/569887195.db2.gz CIVSQFWUCLYNMR-QGZVFWFLSA-N 0 0 463.575 2.878 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222623805 569887219 /nfs/dbraw/zinc/88/72/19/569887219.db2.gz WBLFCZHLWNFODX-JOCHJYFZSA-N 0 0 493.601 2.932 40 0 JFABRN COC(=O)c1cn(C(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c2ccccc12 ZINC000222631757 569887388 /nfs/dbraw/zinc/88/73/88/569887388.db2.gz FJVHSABRMQEAMW-CQSZACIVSA-N 0 0 460.508 2.940 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1C ZINC000222638010 569887512 /nfs/dbraw/zinc/88/75/12/569887512.db2.gz KJPKJMDFIQMUCW-UHFFFAOYSA-N 0 0 490.578 2.773 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222644576 569887679 /nfs/dbraw/zinc/88/76/79/569887679.db2.gz VCWHXNSMTJMTAL-QHAWAJNXSA-N 0 0 457.546 2.799 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222647257 569887743 /nfs/dbraw/zinc/88/77/43/569887743.db2.gz BSBYZGOUPWSVGD-QGZVFWFLSA-N 0 0 463.575 2.924 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222654682 569887798 /nfs/dbraw/zinc/88/77/98/569887798.db2.gz MDSQJMMITDBIMF-LJQANCHMSA-N 0 0 474.627 2.631 40 0 JFABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000222657091 569887815 /nfs/dbraw/zinc/88/78/15/569887815.db2.gz OWDLYGIFROJKOH-UHFFFAOYSA-N 0 0 473.595 2.803 40 0 JFABRN COC(=O)c1ccc(OC)c(NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 ZINC000222656154 569887821 /nfs/dbraw/zinc/88/78/21/569887821.db2.gz CYGBOOYSZXMBKI-UHFFFAOYSA-N 0 0 476.551 2.846 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222671558 569888161 /nfs/dbraw/zinc/88/81/61/569888161.db2.gz YVYDMNYYMRYVAJ-RRQGHBQHSA-N 0 0 466.365 2.798 40 0 JFABRN C[C@H](NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222692117 569888753 /nfs/dbraw/zinc/88/87/53/569888753.db2.gz KWQKEPFRUFCSSP-HNNXBMFYSA-N 0 0 462.524 2.610 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222698281 569888837 /nfs/dbraw/zinc/88/88/37/569888837.db2.gz KCPPBGSMOWKNFU-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(N)=O)cc3)cc2)cc1 ZINC000222698810 569888859 /nfs/dbraw/zinc/88/88/59/569888859.db2.gz ZKWWATQNWIHIIX-UHFFFAOYSA-N 0 0 469.519 2.541 40 0 JFABRN Cc1nc(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)n[nH]1 ZINC000222701095 569888902 /nfs/dbraw/zinc/88/89/02/569888902.db2.gz ACPFVANZXVPPBA-UHFFFAOYSA-N 0 0 481.987 2.855 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000222714292 569889304 /nfs/dbraw/zinc/88/93/04/569889304.db2.gz ZUUAEDSMMVZDKJ-IBGZPJMESA-N 0 0 459.612 2.861 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)CCc3cc(S(=O)(=O)N(C)C)ccc3OC)n2)cc1 ZINC000222715037 569889413 /nfs/dbraw/zinc/88/94/13/569889413.db2.gz SUVFZCQVEYKYNF-UHFFFAOYSA-N 0 0 488.566 2.643 40 0 JFABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000222723217 569889535 /nfs/dbraw/zinc/88/95/35/569889535.db2.gz PESKEBKTLKYTLY-UHFFFAOYSA-N 0 0 473.595 2.947 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222723371 569889544 /nfs/dbraw/zinc/88/95/44/569889544.db2.gz BDEBHRJHYOHSOE-CYBMUJFWSA-N 0 0 498.388 2.691 40 0 JFABRN COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000222724277 569889580 /nfs/dbraw/zinc/88/95/80/569889580.db2.gz NRFMKHOPCZWRSV-GJZGRUSLSA-N 0 0 464.540 2.507 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc[nH]n3)cc2)cc1Cl ZINC000222739092 569889994 /nfs/dbraw/zinc/88/99/94/569889994.db2.gz MDHNSIZDHLDORO-UHFFFAOYSA-N 0 0 481.987 2.855 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1 ZINC000222742001 569890068 /nfs/dbraw/zinc/89/00/68/569890068.db2.gz AXSAIAIRKPFKDY-AWEZNQCLSA-N 0 0 483.384 2.730 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222745898 569890159 /nfs/dbraw/zinc/89/01/59/569890159.db2.gz KWBFBLNJRPTVME-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000222745569 569890163 /nfs/dbraw/zinc/89/01/63/569890163.db2.gz OXCCMXBRTSZADA-UHFFFAOYSA-N 0 0 480.583 2.780 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc[nH]n3)c(C)c2)cc1 ZINC000222762755 569890514 /nfs/dbraw/zinc/89/05/14/569890514.db2.gz IITLHPSAENNDKS-UHFFFAOYSA-N 0 0 461.569 2.510 40 0 JFABRN Cc1ccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222774211 569890750 /nfs/dbraw/zinc/89/07/50/569890750.db2.gz LUHNFEVNIQRXRM-SESVDKBCSA-N 0 0 453.583 2.968 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NCCSc1nc[nH]n1 ZINC000222786553 569891039 /nfs/dbraw/zinc/89/10/39/569891039.db2.gz XGVZGNISMIKWMC-UHFFFAOYSA-N 0 0 487.607 2.542 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)c(C)c1 ZINC000222790337 569891181 /nfs/dbraw/zinc/89/11/81/569891181.db2.gz UOTJUSSTAYWPKH-UHFFFAOYSA-N 0 0 489.623 2.756 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000222794071 569891251 /nfs/dbraw/zinc/89/12/51/569891251.db2.gz MHROWZLLVQHEIL-SFHVURJKSA-N 0 0 475.611 2.748 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)s1 ZINC000222800585 569891474 /nfs/dbraw/zinc/89/14/74/569891474.db2.gz GVRYWEIDBVLKFU-QMMMGPOBSA-N 0 0 499.423 2.903 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222804019 569891513 /nfs/dbraw/zinc/89/15/13/569891513.db2.gz WDZRLVUIPMKMSO-OAHLLOKOSA-N 0 0 491.997 2.817 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222810057 569891671 /nfs/dbraw/zinc/89/16/71/569891671.db2.gz QUXQSHKDFMYKSP-MRXNPFEDSA-N 0 0 478.014 2.877 40 0 JFABRN Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1CCc2cc(Br)ccc21 ZINC000222813315 569891730 /nfs/dbraw/zinc/89/17/30/569891730.db2.gz BRGHZDZRRMMJJA-UHFFFAOYSA-N 0 0 453.358 2.976 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222817493 569891859 /nfs/dbraw/zinc/89/18/59/569891859.db2.gz VDTVYZDVMSUPKI-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cc1 ZINC000222825659 569892001 /nfs/dbraw/zinc/89/20/01/569892001.db2.gz BZDSLVPNXXRWKG-UHFFFAOYSA-N 0 0 465.959 2.560 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3sncc3c2)c(Cl)c1 ZINC000222834750 569892235 /nfs/dbraw/zinc/89/22/35/569892235.db2.gz BUZGVCMCZOXOKP-UHFFFAOYSA-N 0 0 455.945 2.892 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222837862 569892334 /nfs/dbraw/zinc/89/23/34/569892334.db2.gz DGDWJACHULANAO-HSZRJFAPSA-N 0 0 489.638 2.956 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222843085 569892501 /nfs/dbraw/zinc/89/25/01/569892501.db2.gz ZGCCCKZHAWJRQM-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222843432 569892507 /nfs/dbraw/zinc/89/25/07/569892507.db2.gz UXDKUIHIAYOQMQ-OAHLLOKOSA-N 0 0 491.997 2.817 40 0 JFABRN CSc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NC(=O)C(C)C ZINC000222854295 569892810 /nfs/dbraw/zinc/89/28/10/569892810.db2.gz MIYRRBGUPXJQDN-UHFFFAOYSA-N 0 0 497.664 2.698 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222858879 569892908 /nfs/dbraw/zinc/89/29/08/569892908.db2.gz DOJMPUYQRCXGHW-LJQANCHMSA-N 0 0 477.602 2.777 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222867931 569893098 /nfs/dbraw/zinc/89/30/98/569893098.db2.gz UEXKIVMWSWHNSC-MRXNPFEDSA-N 0 0 497.564 2.683 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000222877400 569893366 /nfs/dbraw/zinc/89/33/66/569893366.db2.gz DZCJXNBRGBBBRK-KRWDZBQOSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222887311 569893601 /nfs/dbraw/zinc/89/36/01/569893601.db2.gz XSTDMQPKSOUWCK-HSZRJFAPSA-N 0 0 489.638 2.956 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222886701 569893611 /nfs/dbraw/zinc/89/36/11/569893611.db2.gz GTIHZEWTNJGVAW-GOSISDBHSA-N 0 0 492.617 2.771 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222892973 569893773 /nfs/dbraw/zinc/89/37/73/569893773.db2.gz XGGIUNNNHGJESP-OAHLLOKOSA-N 0 0 486.421 2.965 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222912593 569894192 /nfs/dbraw/zinc/89/41/92/569894192.db2.gz IVDQOXFQYXSBGE-IBGZPJMESA-N 0 0 467.591 2.666 40 0 JFABRN C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222926720 569894583 /nfs/dbraw/zinc/89/45/83/569894583.db2.gz PVUJXOFECSOGTR-SFHVURJKSA-N 0 0 461.965 2.887 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222936143 569894839 /nfs/dbraw/zinc/89/48/39/569894839.db2.gz BVXMMIKPSKMSBW-HXUWFJFHSA-N 0 0 489.638 2.790 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222935689 569894843 /nfs/dbraw/zinc/89/48/43/569894843.db2.gz HUBZXFQPSLIVAX-BDTNDASRSA-N 0 0 453.583 2.702 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000222956274 569895371 /nfs/dbraw/zinc/89/53/71/569895371.db2.gz XITAZAKNBKOCCQ-GOSISDBHSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222978918 569895973 /nfs/dbraw/zinc/89/59/73/569895973.db2.gz XTTAQGGEZPCNEP-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222982150 569896080 /nfs/dbraw/zinc/89/60/80/569896080.db2.gz DHMPDEYONBDRGS-FQEVSTJZSA-N 0 0 466.003 2.968 40 0 JFABRN COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)n2)c1 ZINC000222999427 569896569 /nfs/dbraw/zinc/89/65/69/569896569.db2.gz TWUAEYLUNAYFHH-UHFFFAOYSA-N 0 0 468.535 2.865 40 0 JFABRN CC(C)c1nc(Cc2ccc(NS(=O)(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)no1 ZINC000223021620 569896994 /nfs/dbraw/zinc/89/69/94/569896994.db2.gz OXDHHSJRSIOTEO-UHFFFAOYSA-N 0 0 450.542 2.956 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223022343 569897017 /nfs/dbraw/zinc/89/70/17/569897017.db2.gz OZDXIFBJFZMJFD-LZQZEXGQSA-N 0 0 490.398 2.644 40 0 JFABRN CCC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3nc(-c4ccc(OC)cc4)no3)ccc21 ZINC000223024976 569897067 /nfs/dbraw/zinc/89/70/67/569897067.db2.gz HKUZREPJPUBNHN-UHFFFAOYSA-N 0 0 456.524 2.865 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000223065892 569898326 /nfs/dbraw/zinc/89/83/26/569898326.db2.gz CNZVTXKVEKOXIJ-MRXNPFEDSA-N 0 0 483.612 2.519 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223078899 569898767 /nfs/dbraw/zinc/89/87/67/569898767.db2.gz OGVFWMJQLNBIIP-HXUWFJFHSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223088377 569899104 /nfs/dbraw/zinc/89/91/04/569899104.db2.gz DLEDWVVRKFGIDL-HXUWFJFHSA-N 0 0 467.538 2.593 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223126329 569900308 /nfs/dbraw/zinc/90/03/08/569900308.db2.gz BDHGOLCTRLOMNI-SFHVURJKSA-N 0 0 485.606 2.596 40 0 JFABRN CN(CC(=O)NCc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223127798 569900359 /nfs/dbraw/zinc/90/03/59/569900359.db2.gz XVPVNZREZKFYHD-UHFFFAOYSA-N 0 0 455.323 2.980 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223136013 569900637 /nfs/dbraw/zinc/90/06/37/569900637.db2.gz DEKAOUUEYVBBFM-LJQANCHMSA-N 0 0 485.606 2.863 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223142969 569900975 /nfs/dbraw/zinc/90/09/75/569900975.db2.gz SKQCFZDUIKMXCG-LJQANCHMSA-N 0 0 491.997 2.818 40 0 JFABRN CC[C@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223156785 569901367 /nfs/dbraw/zinc/90/13/67/569901367.db2.gz KPVXDWIZZXEULC-CYBMUJFWSA-N 0 0 472.614 2.603 40 0 JFABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 ZINC000223165579 569901670 /nfs/dbraw/zinc/90/16/70/569901670.db2.gz ZEQGMZGIZUREMG-BJKOFHAPSA-N 0 0 491.617 2.964 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223166963 569901759 /nfs/dbraw/zinc/90/17/59/569901759.db2.gz BEPKFYPVTQUBMS-HXUWFJFHSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223167038 569901774 /nfs/dbraw/zinc/90/17/74/569901774.db2.gz NKNDUFWCSVYSNG-FQEVSTJZSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223186221 569902681 /nfs/dbraw/zinc/90/26/81/569902681.db2.gz MRVOVAFDBJPHPK-IBGZPJMESA-N 0 0 499.008 2.645 40 0 JFABRN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223198899 569903165 /nfs/dbraw/zinc/90/31/65/569903165.db2.gz OWSQQTOWIVVOHE-AWEZNQCLSA-N 0 0 487.550 2.543 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223212448 569903659 /nfs/dbraw/zinc/90/36/59/569903659.db2.gz IHOJIDURTZTWDB-SFHVURJKSA-N 0 0 499.992 2.807 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223234041 569904429 /nfs/dbraw/zinc/90/44/29/569904429.db2.gz GGRBJMIQJXOPAU-FQEVSTJZSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1)c1ccc(OC)c(C)c1 ZINC000223240275 569904558 /nfs/dbraw/zinc/90/45/58/569904558.db2.gz DZMAVUWYXFZUOQ-HXUWFJFHSA-N 0 0 462.568 2.914 40 0 JFABRN C[C@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223248611 569904890 /nfs/dbraw/zinc/90/48/90/569904890.db2.gz NXLBRGLVFJXGHS-MRXNPFEDSA-N 0 0 452.523 2.984 40 0 JFABRN COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCCO)cc1 ZINC000223288976 569906305 /nfs/dbraw/zinc/90/63/05/569906305.db2.gz IZPWSAAHEBFEHL-VWLOTQADSA-N 0 0 462.546 2.823 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)CCCN(c3ccccc3OC)S(C)(=O)=O)n2)c1 ZINC000223302181 569906684 /nfs/dbraw/zinc/90/66/84/569906684.db2.gz WMCBZXDQHJKMNZ-UHFFFAOYSA-N 0 0 488.566 2.959 40 0 JFABRN COc1ccc(N(CCCC(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 ZINC000223357735 569908494 /nfs/dbraw/zinc/90/84/94/569908494.db2.gz DIRCJDBMJBCUDI-UHFFFAOYSA-N 0 0 458.540 2.950 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223390618 569909649 /nfs/dbraw/zinc/90/96/49/569909649.db2.gz NOVOBQJIOHWIGX-NRFANRHFSA-N 0 0 496.029 2.976 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000223394686 569909758 /nfs/dbraw/zinc/90/97/58/569909758.db2.gz SSAALWGJBUNOMQ-QFIPXVFZSA-N 0 0 475.611 2.577 40 0 JFABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223399716 569909874 /nfs/dbraw/zinc/90/98/74/569909874.db2.gz ULVRWRAEARVAIP-NRFANRHFSA-N 0 0 466.003 2.828 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223430865 569911174 /nfs/dbraw/zinc/91/11/74/569911174.db2.gz QEUQOMRVBPNHKF-JOCHJYFZSA-N 0 0 475.611 2.631 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](CC)C(=O)NC)S(C)(=O)=O ZINC000223430931 569911195 /nfs/dbraw/zinc/91/11/95/569911195.db2.gz TWFXDKVKAKAETD-NRFANRHFSA-N 0 0 475.611 2.577 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223433599 569911263 /nfs/dbraw/zinc/91/12/63/569911263.db2.gz PCILBNHPJOAFKB-FQEVSTJZSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223433933 569911297 /nfs/dbraw/zinc/91/12/97/569911297.db2.gz TTZKZCUREYIBBB-OAQYLSRUSA-N 0 0 496.029 2.976 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223441095 569911478 /nfs/dbraw/zinc/91/14/78/569911478.db2.gz OYTKHFAKZWTPHY-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223447844 569911707 /nfs/dbraw/zinc/91/17/07/569911707.db2.gz MYGAFYNGFNEXFH-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223483751 569912924 /nfs/dbraw/zinc/91/29/24/569912924.db2.gz NGUACAUPZKJJCH-FQEVSTJZSA-N 0 0 483.993 2.841 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223483811 569912951 /nfs/dbraw/zinc/91/29/51/569912951.db2.gz NGUACAUPZKJJCH-HXUWFJFHSA-N 0 0 483.993 2.841 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000223498748 569913637 /nfs/dbraw/zinc/91/36/37/569913637.db2.gz HSCSULLVKKHAPK-OAQYLSRUSA-N 0 0 477.602 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223520794 569914462 /nfs/dbraw/zinc/91/44/62/569914462.db2.gz DZUSYIQKMUBJMQ-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223530720 569914750 /nfs/dbraw/zinc/91/47/50/569914750.db2.gz ZHJDIIKKCGEDNL-FQEVSTJZSA-N 0 0 489.638 2.837 40 0 JFABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223532011 569914836 /nfs/dbraw/zinc/91/48/36/569914836.db2.gz AQWZXATVEGMZJQ-IBGZPJMESA-N 0 0 477.602 2.968 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223538190 569915081 /nfs/dbraw/zinc/91/50/81/569915081.db2.gz FODCYDHEUDDNLN-HXUWFJFHSA-N 0 0 489.638 2.837 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc21)c1ccc2c(c1)OCO2 ZINC000223539677 569915202 /nfs/dbraw/zinc/91/52/02/569915202.db2.gz KDGGYLRFJTWVCC-UHFFFAOYSA-N 0 0 456.520 2.920 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223549817 569915602 /nfs/dbraw/zinc/91/56/02/569915602.db2.gz GZGPNPGDGJWSPY-FCEUIQTBSA-N 0 0 453.583 2.704 40 0 JFABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223587293 569917020 /nfs/dbraw/zinc/91/70/20/569917020.db2.gz UQXAZPWRABVVPR-HXUWFJFHSA-N 0 0 471.579 2.555 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223607276 569917706 /nfs/dbraw/zinc/91/77/06/569917706.db2.gz FGZQYFDOCHVFKW-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223608181 569917747 /nfs/dbraw/zinc/91/77/47/569917747.db2.gz IHHZXOXVRJWOJD-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1ccccc1CN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000223608502 569917754 /nfs/dbraw/zinc/91/77/54/569917754.db2.gz QQZGYERZEVSQAW-UHFFFAOYSA-N 0 0 479.549 2.950 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223607453 569917762 /nfs/dbraw/zinc/91/77/62/569917762.db2.gz NYALHVBJYNKOLO-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223608048 569917764 /nfs/dbraw/zinc/91/77/64/569917764.db2.gz BJZXOKQYOCPGRG-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 ZINC000223610434 569917851 /nfs/dbraw/zinc/91/78/51/569917851.db2.gz GTIPKFAYHGROBT-UHFFFAOYSA-N 0 0 470.547 2.962 40 0 JFABRN CC(C)Sc1nnc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 ZINC000223612434 569917907 /nfs/dbraw/zinc/91/79/07/569917907.db2.gz JYJZFUQNBXUGAJ-UHFFFAOYSA-N 0 0 472.614 2.995 40 0 JFABRN COC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)ccc1C ZINC000223614896 569917980 /nfs/dbraw/zinc/91/79/80/569917980.db2.gz GGTSBBRDJWLTBN-UHFFFAOYSA-N 0 0 461.496 2.670 40 0 JFABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)n2)cc1 ZINC000223628336 569918280 /nfs/dbraw/zinc/91/82/80/569918280.db2.gz YVUYTPYHCUQZHU-UHFFFAOYSA-N 0 0 468.535 2.865 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223654833 569919109 /nfs/dbraw/zinc/91/91/09/569919109.db2.gz JXDATRNFXBNOSM-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223656525 569919210 /nfs/dbraw/zinc/91/92/10/569919210.db2.gz RAOCMCCLEOWPQG-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223663132 569919390 /nfs/dbraw/zinc/91/93/90/569919390.db2.gz NGWZNLMYLDUXJE-GOSISDBHSA-N 0 0 473.595 2.517 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223696703 569920248 /nfs/dbraw/zinc/92/02/48/569920248.db2.gz UCRQRWCCJWGYDG-INIZCTEOSA-N 0 0 451.976 2.659 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223697126 569920307 /nfs/dbraw/zinc/92/03/07/569920307.db2.gz QVPAFBRLHQCXPK-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223726686 569921302 /nfs/dbraw/zinc/92/13/02/569921302.db2.gz WCDDFVCRFBQWKE-NRFANRHFSA-N 0 0 485.606 2.863 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 ZINC000223731734 569921461 /nfs/dbraw/zinc/92/14/61/569921461.db2.gz LYVMVDHBVDLNIV-IBGZPJMESA-N 0 0 487.622 2.937 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223739867 569921742 /nfs/dbraw/zinc/92/17/42/569921742.db2.gz FYDJMFUUEOTXES-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 ZINC000223757089 569922230 /nfs/dbraw/zinc/92/22/30/569922230.db2.gz CHKQMUOHGFTGLB-UHFFFAOYSA-N 0 0 450.557 2.788 40 0 JFABRN CC[C@@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223763995 569922556 /nfs/dbraw/zinc/92/25/56/569922556.db2.gz IDDHLJORVOYEBS-ZDUSSCGKSA-N 0 0 493.032 2.948 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1ccc(I)cc1 ZINC000223772938 569922836 /nfs/dbraw/zinc/92/28/36/569922836.db2.gz ZCYQVRPCKVHYGC-UHFFFAOYSA-N 0 0 476.311 2.555 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223786184 569923263 /nfs/dbraw/zinc/92/32/63/569923263.db2.gz HAIFVBNOACEOSV-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN CC(C)c1ccccc1OCCNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 ZINC000223799074 569923705 /nfs/dbraw/zinc/92/37/05/569923705.db2.gz CSNDOEKADVNBEE-UHFFFAOYSA-N 0 0 459.612 2.696 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223801424 569923811 /nfs/dbraw/zinc/92/38/11/569923811.db2.gz XEAGTUZSCOYPNT-LJQANCHMSA-N 0 0 492.617 2.609 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223827129 569924480 /nfs/dbraw/zinc/92/44/80/569924480.db2.gz CMCITBFQIFBWDX-GOSISDBHSA-N 0 0 463.575 2.780 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1OC ZINC000223834551 569924708 /nfs/dbraw/zinc/92/47/08/569924708.db2.gz UAKIYZGWEGMEHR-UHFFFAOYSA-N 0 0 494.957 2.686 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223856861 569925268 /nfs/dbraw/zinc/92/52/68/569925268.db2.gz ZQYWOUNTNDIDND-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223857185 569925320 /nfs/dbraw/zinc/92/53/20/569925320.db2.gz CFIXFLHLPNQNNC-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223859303 569925367 /nfs/dbraw/zinc/92/53/67/569925367.db2.gz KVXRDGFUQZHEBS-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000223881267 569926080 /nfs/dbraw/zinc/92/60/80/569926080.db2.gz XRDPIJRISMROGF-YWZLYKJASA-N 0 0 468.597 2.521 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000223881322 569926175 /nfs/dbraw/zinc/92/61/75/569926175.db2.gz XRDPIJRISMROGF-MGPUTAFESA-N 0 0 468.597 2.521 40 0 JFABRN C[C@H](NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223884366 569926248 /nfs/dbraw/zinc/92/62/48/569926248.db2.gz KDJZMYWWHSWTRF-AWEZNQCLSA-N 0 0 474.551 2.792 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223891916 569926460 /nfs/dbraw/zinc/92/64/60/569926460.db2.gz ZGOOBRVKFQBBMK-QGZVFWFLSA-N 0 0 494.635 2.693 40 0 JFABRN CC[C@H](NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223896521 569926548 /nfs/dbraw/zinc/92/65/48/569926548.db2.gz LROMEQZJMSLGCZ-NRFANRHFSA-N 0 0 482.624 2.912 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)cc1 ZINC000223912539 569927015 /nfs/dbraw/zinc/92/70/15/569927015.db2.gz BDQMLERJFNDXPE-CYBMUJFWSA-N 0 0 480.493 2.837 40 0 JFABRN Cc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C ZINC000223929892 569927591 /nfs/dbraw/zinc/92/75/91/569927591.db2.gz SKRJUUMBHRZTDQ-UHFFFAOYSA-N 0 0 452.960 2.787 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223980124 569929293 /nfs/dbraw/zinc/92/92/93/569929293.db2.gz WBDICSRAULDFOR-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223982351 569929378 /nfs/dbraw/zinc/92/93/78/569929378.db2.gz FLPSKVXGKOTPSZ-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2ccccc2OC)cc1I ZINC000223982830 569929388 /nfs/dbraw/zinc/92/93/88/569929388.db2.gz NVNZYYBTZIYWHJ-UHFFFAOYSA-N 0 0 463.293 2.666 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223982481 569929400 /nfs/dbraw/zinc/92/94/00/569929400.db2.gz ZSYVICYNCDNSGI-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN CCOc1ccc(CNC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1OCC ZINC000223985501 569929522 /nfs/dbraw/zinc/92/95/22/569929522.db2.gz OCZRLCZJZHZGAM-UHFFFAOYSA-N 0 0 464.584 2.992 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223986850 569929570 /nfs/dbraw/zinc/92/95/70/569929570.db2.gz JVWYHNAHFLIXCB-SFHVURJKSA-N 0 0 475.611 2.577 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000223988337 569929609 /nfs/dbraw/zinc/92/96/09/569929609.db2.gz LCQRBYZQVDLSRF-JXMROGBWSA-N 0 0 471.623 2.736 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223994533 569929770 /nfs/dbraw/zinc/92/97/70/569929770.db2.gz ZDVPZRKWTDYACK-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN O=C(NCCOCc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000223995682 569929792 /nfs/dbraw/zinc/92/97/92/569929792.db2.gz JYYJWMQVTASKGT-QHCPKHFHSA-N 0 0 452.532 2.976 40 0 JFABRN COc1ccc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 ZINC000223996112 569929811 /nfs/dbraw/zinc/92/98/11/569929811.db2.gz LBKXELQVLMBZQN-QHCPKHFHSA-N 0 0 468.531 2.847 40 0 JFABRN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3nc(-c4ccccc4)no3)s2)c1 ZINC000224000686 569930042 /nfs/dbraw/zinc/93/00/42/569930042.db2.gz ODJZREAORKMUBS-UHFFFAOYSA-N 0 0 470.536 2.970 40 0 JFABRN COc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000224012468 569930428 /nfs/dbraw/zinc/93/04/28/569930428.db2.gz CFKWHELFXZUKMJ-CQSZACIVSA-N 0 0 456.948 2.707 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000224012509 569930431 /nfs/dbraw/zinc/93/04/31/569930431.db2.gz SGZHFBHXRZIHHD-UHFFFAOYSA-N 0 0 468.503 2.814 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000224017048 569930637 /nfs/dbraw/zinc/93/06/37/569930637.db2.gz KAHMABWZIBPTOL-JOCHJYFZSA-N 0 0 473.595 2.679 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224021510 569930870 /nfs/dbraw/zinc/93/08/70/569930870.db2.gz UIHRCLQIKCBFGN-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000224025712 569930986 /nfs/dbraw/zinc/93/09/86/569930986.db2.gz JHPLDVDLMHDKBF-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000224035196 569931334 /nfs/dbraw/zinc/93/13/34/569931334.db2.gz PEABIIRQLQXRTJ-UHFFFAOYSA-N 0 0 484.603 2.993 40 0 JFABRN COc1cccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224037224 569931431 /nfs/dbraw/zinc/93/14/31/569931431.db2.gz LXTDLRZKDSAWMT-OFAXGOBFSA-N 0 0 481.593 2.812 40 0 JFABRN COc1cccc(OCCNC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000224047726 569931706 /nfs/dbraw/zinc/93/17/06/569931706.db2.gz HDUUJEUUVMWXRI-CQSZACIVSA-N 0 0 456.948 2.707 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224064723 569932135 /nfs/dbraw/zinc/93/21/35/569932135.db2.gz JQNDKVLKNNGSTP-QGZVFWFLSA-N 0 0 466.003 2.702 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224088163 569932920 /nfs/dbraw/zinc/93/29/20/569932920.db2.gz HAZWQLQCTNKFMC-GOSISDBHSA-N 0 0 463.575 2.781 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224104089 569933322 /nfs/dbraw/zinc/93/33/22/569933322.db2.gz YJXSFTMVLQHUHA-LJQANCHMSA-N 0 0 485.606 2.801 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000224115680 569933650 /nfs/dbraw/zinc/93/36/50/569933650.db2.gz VFEYSNFGKQGSOV-UHFFFAOYSA-N 0 0 454.932 2.810 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000224126353 569933971 /nfs/dbraw/zinc/93/39/71/569933971.db2.gz PMKTTZBAFYBJHK-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224135518 569934206 /nfs/dbraw/zinc/93/42/06/569934206.db2.gz COPBAYNMFRQPIT-OAQYLSRUSA-N 0 0 483.590 2.697 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCOc1ccc(C)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000224151142 569934572 /nfs/dbraw/zinc/93/45/72/569934572.db2.gz YBBNOXMSKXWTLV-UHFFFAOYSA-N 0 0 454.932 2.728 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224152736 569934625 /nfs/dbraw/zinc/93/46/25/569934625.db2.gz BOZUBQMSXLOMHT-QFIPXVFZSA-N 0 0 475.611 2.713 40 0 JFABRN COc1ccccc1OCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 ZINC000224164752 569935060 /nfs/dbraw/zinc/93/50/60/569935060.db2.gz JKJASGQVYDIQLK-UHFFFAOYSA-N 0 0 462.568 2.933 40 0 JFABRN Cc1cccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224166518 569935134 /nfs/dbraw/zinc/93/51/34/569935134.db2.gz YBNUYYHMVONNRO-ILWGZMRPSA-N 0 0 453.583 2.826 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224193345 569935909 /nfs/dbraw/zinc/93/59/09/569935909.db2.gz TXZYMZTYOQNVDQ-NRFANRHFSA-N 0 0 488.654 2.797 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)c1Cl ZINC000224215971 569936831 /nfs/dbraw/zinc/93/68/31/569936831.db2.gz JFCCFLZYIACXDV-UHFFFAOYSA-N 0 0 483.395 2.610 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224249863 569938098 /nfs/dbraw/zinc/93/80/98/569938098.db2.gz QHGOPIJMRZMPSP-HSZRJFAPSA-N 0 0 487.622 2.907 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)s1 ZINC000224261713 569938512 /nfs/dbraw/zinc/93/85/12/569938512.db2.gz ODRLZMYGQUNIDM-UHFFFAOYSA-N 0 0 484.625 2.929 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000224291235 569939490 /nfs/dbraw/zinc/93/94/90/569939490.db2.gz XIPBYGJHNVWCRI-SFHVURJKSA-N 0 0 493.601 2.790 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224367487 569942191 /nfs/dbraw/zinc/94/21/91/569942191.db2.gz BDJHFFDJCYZIKZ-NRFANRHFSA-N 0 0 479.574 2.544 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccc(SC)cc3)n2)cc1 ZINC000224367995 569942279 /nfs/dbraw/zinc/94/22/79/569942279.db2.gz VFBGGUPUODLTEI-UHFFFAOYSA-N 0 0 476.580 2.794 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl ZINC000224378944 569942580 /nfs/dbraw/zinc/94/25/80/569942580.db2.gz KTAPDNIJOAPHRV-UHFFFAOYSA-N 0 0 489.015 2.881 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224384551 569942738 /nfs/dbraw/zinc/94/27/38/569942738.db2.gz SUANMFFLJSXHHO-NRFANRHFSA-N 0 0 463.575 2.698 40 0 JFABRN COc1ccccc1OCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000224385834 569942767 /nfs/dbraw/zinc/94/27/67/569942767.db2.gz GJHMZBBITMGKGV-NRFANRHFSA-N 0 0 460.596 2.865 40 0 JFABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000224385178 569942784 /nfs/dbraw/zinc/94/27/84/569942784.db2.gz JUHRDITVQDUPSZ-UHFFFAOYSA-N 0 0 473.595 2.507 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224385893 569942824 /nfs/dbraw/zinc/94/28/24/569942824.db2.gz HVWLEEFZWORHOG-FQEVSTJZSA-N 0 0 496.580 2.521 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224432070 569944399 /nfs/dbraw/zinc/94/43/99/569944399.db2.gz PWKUFEZFZXKLNO-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224463237 569945275 /nfs/dbraw/zinc/94/52/75/569945275.db2.gz NQRMJWBEEJYTFJ-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224475618 569945618 /nfs/dbraw/zinc/94/56/18/569945618.db2.gz FUCHJNGOFMYZFO-HSZRJFAPSA-N 0 0 476.595 2.677 40 0 JFABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224480329 569945755 /nfs/dbraw/zinc/94/57/55/569945755.db2.gz BGYRPJPUOXGJAG-NRFANRHFSA-N 0 0 482.986 2.714 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224493299 569946186 /nfs/dbraw/zinc/94/61/86/569946186.db2.gz LWORKXNIUIHEFM-HXUWFJFHSA-N 0 0 459.612 2.685 40 0 JFABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224492571 569946197 /nfs/dbraw/zinc/94/61/97/569946197.db2.gz UZWZFGHCQVTZIB-HSZRJFAPSA-N 0 0 476.595 2.677 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224495589 569946318 /nfs/dbraw/zinc/94/63/18/569946318.db2.gz BTHSHIGYYHLUFS-LJQANCHMSA-N 0 0 477.602 2.824 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224502572 569946474 /nfs/dbraw/zinc/94/64/74/569946474.db2.gz XHSGOVYZWUREOC-SFHVURJKSA-N 0 0 495.592 2.963 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224502213 569946479 /nfs/dbraw/zinc/94/64/79/569946479.db2.gz XILFVIFHWFSRQD-NRFANRHFSA-N 0 0 488.654 2.531 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224509637 569946735 /nfs/dbraw/zinc/94/67/35/569946735.db2.gz KRGWFRFDFNHTKF-FQEVSTJZSA-N 0 0 499.633 2.843 40 0 JFABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224545852 569947891 /nfs/dbraw/zinc/94/78/91/569947891.db2.gz SCWFAIBHCCYGQW-BHIFYINESA-N 0 0 453.583 2.907 40 0 JFABRN CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)c(C)c1 ZINC000224556490 569948255 /nfs/dbraw/zinc/94/82/55/569948255.db2.gz YPBDPDBCUZUNBD-SFHVURJKSA-N 0 0 450.557 2.909 40 0 JFABRN C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224559192 569948405 /nfs/dbraw/zinc/94/84/05/569948405.db2.gz WOGMPLSISMCVHC-KRWDZBQOSA-N 0 0 466.003 2.643 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1C(=O)N1CCCCC1 ZINC000224560420 569948472 /nfs/dbraw/zinc/94/84/72/569948472.db2.gz UHAVPIHFSORCER-UHFFFAOYSA-N 0 0 487.622 2.632 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000224570081 569949006 /nfs/dbraw/zinc/94/90/06/569949006.db2.gz NEGXBJFZIGFMMZ-UHFFFAOYSA-N 0 0 489.613 2.516 40 0 JFABRN Cc1cccc(N(CCCC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224575517 569949148 /nfs/dbraw/zinc/94/91/48/569949148.db2.gz SXUKPJDLBSUSCR-UHFFFAOYSA-N 0 0 459.612 2.690 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224575424 569949152 /nfs/dbraw/zinc/94/91/52/569949152.db2.gz OGPPQLWDJAJARA-NRFANRHFSA-N 0 0 479.574 2.544 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224576525 569949216 /nfs/dbraw/zinc/94/92/16/569949216.db2.gz NNXJQMIFEQPOBM-UHFFFAOYSA-N 0 0 461.584 2.865 40 0 JFABRN CC[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224579432 569949328 /nfs/dbraw/zinc/94/93/28/569949328.db2.gz XCKRGYFAHRDIFY-DEOSSOPVSA-N 0 0 473.639 2.997 40 0 JFABRN CCOc1ccc(N([C@@H](CC)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224579921 569949346 /nfs/dbraw/zinc/94/93/46/569949346.db2.gz UPBGBTRPSQCRQP-DEOSSOPVSA-N 0 0 489.638 2.779 40 0 JFABRN CC[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224579309 569949356 /nfs/dbraw/zinc/94/93/56/569949356.db2.gz YBEMZMUVNPZGGR-QHCPKHFHSA-N 0 0 473.639 2.997 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 ZINC000224580447 569949396 /nfs/dbraw/zinc/94/93/96/569949396.db2.gz USAFVKUBIZPDJY-IBGZPJMESA-N 0 0 474.539 2.615 40 0 JFABRN CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCCOc2cccc(OC)c2)S1(=O)=O ZINC000224583100 569949512 /nfs/dbraw/zinc/94/95/12/569949512.db2.gz IWSWPDPYCRGEGP-UHFFFAOYSA-N 0 0 476.551 2.808 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224584669 569949560 /nfs/dbraw/zinc/94/95/60/569949560.db2.gz XAVLYSGZQVCCFT-JOCHJYFZSA-N 0 0 475.611 2.568 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(CN4CCOCC4)cc3)C2)cc1 ZINC000224589394 569949773 /nfs/dbraw/zinc/94/97/73/569949773.db2.gz BDZVLUJOUSRWPU-HSZRJFAPSA-N 0 0 471.623 2.544 40 0 JFABRN COc1ccccc1N(CCCC(=O)NCc1nc(-c2ccc(C)cc2)no1)S(C)(=O)=O ZINC000224607998 569950512 /nfs/dbraw/zinc/95/05/12/569950512.db2.gz WSVSGPOAARJQOQ-UHFFFAOYSA-N 0 0 458.540 2.916 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224626227 569951374 /nfs/dbraw/zinc/95/13/74/569951374.db2.gz DWWKGJXEEPRVDY-OAQYLSRUSA-N 0 0 480.030 2.947 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000224644524 569952053 /nfs/dbraw/zinc/95/20/53/569952053.db2.gz DVIAWGGQWSVZMR-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224651574 569952231 /nfs/dbraw/zinc/95/22/31/569952231.db2.gz FIDAGLTZXVJJES-GOSISDBHSA-N 0 0 473.595 2.599 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224655063 569952328 /nfs/dbraw/zinc/95/23/28/569952328.db2.gz PFKGJUMWUPTASQ-MRXNPFEDSA-N 0 0 467.538 2.673 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224659030 569952506 /nfs/dbraw/zinc/95/25/06/569952506.db2.gz ATWOWAXYIHYTGB-MRXNPFEDSA-N 0 0 467.538 2.673 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224660725 569952548 /nfs/dbraw/zinc/95/25/48/569952548.db2.gz ACYRHLOJHDCZRY-GOSISDBHSA-N 0 0 471.579 2.555 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224681543 569953478 /nfs/dbraw/zinc/95/34/78/569953478.db2.gz BZAFZPNRXBZISX-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224693074 569953767 /nfs/dbraw/zinc/95/37/67/569953767.db2.gz OVSOEXSKFRKQBG-LJQANCHMSA-N 0 0 492.617 2.690 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)NCc1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000224699183 569953988 /nfs/dbraw/zinc/95/39/88/569953988.db2.gz MUVYMIKXLIJTLB-UHFFFAOYSA-N 0 0 450.557 2.965 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)c1cccc2ccccc21 ZINC000224715904 569954554 /nfs/dbraw/zinc/95/45/54/569954554.db2.gz VZMVCQFTJLHXSJ-UHFFFAOYSA-N 0 0 467.591 2.754 40 0 JFABRN COc1ccc(OC)c(N(CCCC(=O)NCCOc2ccccc2C)S(C)(=O)=O)c1 ZINC000224718608 569954675 /nfs/dbraw/zinc/95/46/75/569954675.db2.gz MMEKDJQOAGPTGP-UHFFFAOYSA-N 0 0 450.557 2.754 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000224736838 569955505 /nfs/dbraw/zinc/95/55/05/569955505.db2.gz RPRQVWFQCPWIQX-UHFFFAOYSA-N 0 0 489.613 2.516 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000224743005 569955629 /nfs/dbraw/zinc/95/56/29/569955629.db2.gz DQDJFPIVPYQYIL-QFIPXVFZSA-N 0 0 478.014 2.642 40 0 JFABRN CC[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000224746597 569955790 /nfs/dbraw/zinc/95/57/90/569955790.db2.gz ABGRBXKTMVFAJT-NRFANRHFSA-N 0 0 463.575 2.519 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224754882 569956092 /nfs/dbraw/zinc/95/60/92/569956092.db2.gz WEJHQCZCGRFSKJ-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224753857 569956093 /nfs/dbraw/zinc/95/60/93/569956093.db2.gz MXRNCTVZBGIZDW-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN COc1cc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc(OC)c1OC ZINC000224785335 569957493 /nfs/dbraw/zinc/95/74/93/569957493.db2.gz JXIOHNHKDOUMTN-UHFFFAOYSA-N 0 0 478.552 2.603 40 0 JFABRN Cc1ccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C ZINC000224816665 569958950 /nfs/dbraw/zinc/95/89/50/569958950.db2.gz FGDZPHBGHKFTJV-UHFFFAOYSA-N 0 0 462.568 2.816 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000224851749 569960351 /nfs/dbraw/zinc/96/03/51/569960351.db2.gz NXYNPFHBUJBUDU-UHFFFAOYSA-N 0 0 492.604 2.946 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224870147 569961032 /nfs/dbraw/zinc/96/10/32/569961032.db2.gz ZDEYJTFJFXGMNM-QGZVFWFLSA-N 0 0 496.580 2.521 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000224874949 569961215 /nfs/dbraw/zinc/96/12/15/569961215.db2.gz GWTHSNVPVXACOV-LJQANCHMSA-N 0 0 458.540 2.915 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)s1 ZINC000224900379 569962395 /nfs/dbraw/zinc/96/23/95/569962395.db2.gz UYWFECNYIKOCMS-UHFFFAOYSA-N 0 0 470.598 2.620 40 0 JFABRN CCCSc1nnc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)s1 ZINC000224928290 569963722 /nfs/dbraw/zinc/96/37/22/569963722.db2.gz VAIOAYVEOSBQIY-UHFFFAOYSA-N 0 0 486.641 2.641 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224944401 569964340 /nfs/dbraw/zinc/96/43/40/569964340.db2.gz NLGPIJOFABAICD-UHFFFAOYSA-N 0 0 469.510 2.526 40 0 JFABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000408594406 569965508 /nfs/dbraw/zinc/96/55/08/569965508.db2.gz QJAGIAAWMSDOAS-RMKNXTFCSA-N 0 0 471.623 2.857 40 0 JFABRN CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224965491 569965570 /nfs/dbraw/zinc/96/55/70/569965570.db2.gz GVQCPNSEZNMHDW-XPWALMASSA-N 0 0 467.610 2.950 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408594867 569965777 /nfs/dbraw/zinc/96/57/77/569965777.db2.gz QZCWKEMPQIMOAC-MRXNPFEDSA-N 0 0 451.976 2.673 40 0 JFABRN CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000408595281 569966111 /nfs/dbraw/zinc/96/61/11/569966111.db2.gz LUSZTSJLUAGAAN-GOSISDBHSA-N 0 0 473.530 2.640 40 0 JFABRN CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)c(Cl)c3)CC2)CC1 ZINC000408596305 569966720 /nfs/dbraw/zinc/96/67/20/569966720.db2.gz UEPJFXCJQDNBAQ-UHFFFAOYSA-N 0 0 487.018 2.941 40 0 JFABRN COC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(OC)cc3)n2C)c1 ZINC000408596471 569966843 /nfs/dbraw/zinc/96/68/43/569966843.db2.gz PYQITSDMQFXMIN-CQSZACIVSA-N 0 0 483.550 2.832 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc(C(=O)OC)c1 ZINC000408597895 569967637 /nfs/dbraw/zinc/96/76/37/569967637.db2.gz WFJAEJDRYKUULL-JOCHJYFZSA-N 0 0 496.541 2.788 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224993280 569967879 /nfs/dbraw/zinc/96/78/79/569967879.db2.gz FSKWSZRSJWLLBA-IBGZPJMESA-N 0 0 489.638 2.967 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225001478 569968382 /nfs/dbraw/zinc/96/83/82/569968382.db2.gz QXHONUYBURLCCY-LJQANCHMSA-N 0 0 475.611 2.568 40 0 JFABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)CC1 ZINC000408601356 569969025 /nfs/dbraw/zinc/96/90/25/569969025.db2.gz FWDUOOLMSCBINT-UHFFFAOYSA-N 0 0 451.976 2.992 40 0 JFABRN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000408603573 569970013 /nfs/dbraw/zinc/97/00/13/569970013.db2.gz KYSYUQMHWMECNS-MRXNPFEDSA-N 0 0 451.976 2.673 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2cc(C)ccc2C)cc1 ZINC000408605574 569970842 /nfs/dbraw/zinc/97/08/42/569970842.db2.gz JNFQOJZBBCUTOT-UHFFFAOYSA-N 0 0 459.612 2.646 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000408605823 569971004 /nfs/dbraw/zinc/97/10/04/569971004.db2.gz NOBWEXNXMRCTNU-CQSZACIVSA-N 0 0 470.975 2.782 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000225049815 569971796 /nfs/dbraw/zinc/97/17/96/569971796.db2.gz YGPAHYCTMHALBQ-FQEVSTJZSA-N 0 0 459.612 2.747 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000225049864 569971821 /nfs/dbraw/zinc/97/18/21/569971821.db2.gz DADQPCHXJOTPAE-HXUWFJFHSA-N 0 0 459.612 2.747 40 0 JFABRN COc1cc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)c(OC)cc1Cl ZINC000225059507 569972489 /nfs/dbraw/zinc/97/24/89/569972489.db2.gz QDNMCWVSIRFRGK-UHFFFAOYSA-N 0 0 485.971 2.675 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225059660 569972599 /nfs/dbraw/zinc/97/25/99/569972599.db2.gz AVSLQXDOTZUECJ-KRWDZBQOSA-N 0 0 481.565 2.717 40 0 JFABRN Cc1ccc(N(Cc2ccc(C(=O)NCCCN3CCOCC3)cc2)S(C)(=O)=O)cc1C ZINC000408613742 569973494 /nfs/dbraw/zinc/97/34/94/569973494.db2.gz XSYYCKGWTKAOMS-UHFFFAOYSA-N 0 0 459.612 2.722 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225082448 569973831 /nfs/dbraw/zinc/97/38/31/569973831.db2.gz NUPVZDFLSHARQF-QFIPXVFZSA-N 0 0 475.611 2.795 40 0 JFABRN CCn1c2ccc(NC(=O)CN(c3ccc(OC)cc3OC)S(C)(=O)=O)cc2sc1=O ZINC000225083632 569973844 /nfs/dbraw/zinc/97/38/44/569973844.db2.gz KSCVCRQXFKYSIJ-UHFFFAOYSA-N 0 0 465.553 2.505 40 0 JFABRN Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)c1C ZINC000408614319 569973866 /nfs/dbraw/zinc/97/38/66/569973866.db2.gz ATZFOSLEATXJMI-UGKGYDQZSA-N 0 0 465.550 2.969 40 0 JFABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)cc1C ZINC000408614511 569973947 /nfs/dbraw/zinc/97/39/47/569973947.db2.gz DBWZLUKKXBQBBJ-OAQYLSRUSA-N 0 0 478.593 2.747 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225084952 569974009 /nfs/dbraw/zinc/97/40/09/569974009.db2.gz DWPOZYMPQSYYRA-MOPGFXCFSA-N 0 0 485.606 2.862 40 0 JFABRN CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408614656 569974129 /nfs/dbraw/zinc/97/41/29/569974129.db2.gz FZMDZLDOZMCKCZ-OAQYLSRUSA-N 0 0 478.593 2.693 40 0 JFABRN COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)C1 ZINC000408614579 569974136 /nfs/dbraw/zinc/97/41/36/569974136.db2.gz DXPYNNXVJDCJCS-IBGZPJMESA-N 0 0 453.539 2.827 40 0 JFABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 ZINC000408614813 569974228 /nfs/dbraw/zinc/97/42/28/569974228.db2.gz IJWSNIAQGKVRER-CVEARBPZSA-N 0 0 459.930 2.516 40 0 JFABRN Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)c1 ZINC000408615064 569974460 /nfs/dbraw/zinc/97/44/60/569974460.db2.gz LMIGOGYXFMHVNR-AVRDEDQJSA-N 0 0 451.523 2.661 40 0 JFABRN COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)C1 ZINC000408615203 569974588 /nfs/dbraw/zinc/97/45/88/569974588.db2.gz NIJQCLLOEPSVPU-IBGZPJMESA-N 0 0 453.539 2.827 40 0 JFABRN COc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000408615343 569974706 /nfs/dbraw/zinc/97/47/06/569974706.db2.gz PEUVCMGNQXCRMT-UHFFFAOYSA-N 0 0 472.567 2.611 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000408615721 569974970 /nfs/dbraw/zinc/97/49/70/569974970.db2.gz RLIFDCPELLBKNJ-QGZVFWFLSA-N 0 0 465.959 2.654 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)cc1C ZINC000408615821 569975048 /nfs/dbraw/zinc/97/50/48/569975048.db2.gz SNJZEMBNCYBQML-XXBNENTESA-N 0 0 465.550 2.969 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000408615967 569975089 /nfs/dbraw/zinc/97/50/89/569975089.db2.gz DKCQMKZAELJLHD-SFHVURJKSA-N 0 0 461.584 2.863 40 0 JFABRN COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)C1 ZINC000408616107 569975216 /nfs/dbraw/zinc/97/52/16/569975216.db2.gz VXIVBRONDYLACT-INIZCTEOSA-N 0 0 459.930 2.863 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000408616636 569975727 /nfs/dbraw/zinc/97/57/27/569975727.db2.gz HIACWNAAFONFGL-UHFFFAOYSA-N 0 0 486.930 2.557 40 0 JFABRN CCOC(=O)c1c(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)sc2c1CCC2 ZINC000408617117 569976021 /nfs/dbraw/zinc/97/60/21/569976021.db2.gz HREGTNPHJRKPSC-UHFFFAOYSA-N 0 0 452.554 2.827 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225121286 569976248 /nfs/dbraw/zinc/97/62/48/569976248.db2.gz RGLFGMRXDSZKBB-YUVXSKOASA-N 0 0 453.583 2.968 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccc(Br)cc1 ZINC000408620024 569977628 /nfs/dbraw/zinc/97/76/28/569977628.db2.gz IUYVUIPMLZZSGN-UHFFFAOYSA-N 0 0 466.401 2.560 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000408620454 569977834 /nfs/dbraw/zinc/97/78/34/569977834.db2.gz JSYOHJALRPRDJP-UHFFFAOYSA-N 0 0 480.539 2.538 40 0 JFABRN CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000408620810 569977962 /nfs/dbraw/zinc/97/79/62/569977962.db2.gz JWSPBMXTYCDSDB-UHFFFAOYSA-N 0 0 471.623 2.830 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225151500 569978335 /nfs/dbraw/zinc/97/83/35/569978335.db2.gz LZOLIWXVGVEYPO-HSZRJFAPSA-N 0 0 488.654 2.941 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1 ZINC000408622633 569978894 /nfs/dbraw/zinc/97/88/94/569978894.db2.gz PXJBKSORYGLRMP-UHFFFAOYSA-N 0 0 451.372 2.557 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2)cc1 ZINC000408623560 569979328 /nfs/dbraw/zinc/97/93/28/569979328.db2.gz RXQFSIGNLOLDHG-UHFFFAOYSA-N 0 0 480.546 2.963 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(C)(=O)=O)cc1OC ZINC000408624604 569979790 /nfs/dbraw/zinc/97/97/90/569979790.db2.gz SXZYLGPQEBPESP-UHFFFAOYSA-N 0 0 475.567 2.735 40 0 JFABRN COc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000408625605 569980285 /nfs/dbraw/zinc/98/02/85/569980285.db2.gz VQNGWZLYUZPNSG-UHFFFAOYSA-N 0 0 496.029 2.691 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccc(F)cc1 ZINC000408625691 569980302 /nfs/dbraw/zinc/98/03/02/569980302.db2.gz WUEYQBBKVJWQTG-UHFFFAOYSA-N 0 0 460.531 2.741 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C(=O)N1CCOCC1 ZINC000408626736 569980822 /nfs/dbraw/zinc/98/08/22/569980822.db2.gz WGPHVBWZGHJHCZ-UHFFFAOYSA-N 0 0 497.539 2.997 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225186729 569981103 /nfs/dbraw/zinc/98/11/03/569981103.db2.gz KXLMHEGURRZBDU-BHIFYINESA-N 0 0 453.583 2.970 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000225194082 569981674 /nfs/dbraw/zinc/98/16/74/569981674.db2.gz PIIHKZPXYRDNBI-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000225194840 569981680 /nfs/dbraw/zinc/98/16/80/569981680.db2.gz IWIDCJJIPCWAML-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000225224159 569983747 /nfs/dbraw/zinc/98/37/47/569983747.db2.gz FXXBAAYZXJXGTE-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000225224245 569983808 /nfs/dbraw/zinc/98/38/08/569983808.db2.gz ADEMZWYTSYZBRO-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN C[C@H](C(=O)NCc1cccc(N2CCCC2=O)c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225239410 569984864 /nfs/dbraw/zinc/98/48/64/569984864.db2.gz UYVDTYFFMOITNR-CQSZACIVSA-N 0 0 451.495 2.563 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc2)cc1 ZINC000225245637 569985237 /nfs/dbraw/zinc/98/52/37/569985237.db2.gz SYTPMHNAYKRGPA-HXUWFJFHSA-N 0 0 468.531 2.847 40 0 JFABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)c(Cl)c2)cc1 ZINC000408636038 569986324 /nfs/dbraw/zinc/98/63/24/569986324.db2.gz KSCZDBDAPDBGLF-UHFFFAOYSA-N 0 0 495.985 2.642 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000225264697 569986822 /nfs/dbraw/zinc/98/68/22/569986822.db2.gz VKKBTOAOJBAQGF-LJQANCHMSA-N 0 0 464.971 2.838 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000225265227 569986885 /nfs/dbraw/zinc/98/68/85/569986885.db2.gz OKPZBFZEBLCFON-RTWAWAEBSA-N 0 0 458.580 2.617 40 0 JFABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2Cl)CC1 ZINC000408636743 569986910 /nfs/dbraw/zinc/98/69/10/569986910.db2.gz UTNCCORJHRQWRG-UHFFFAOYSA-N 0 0 467.975 2.692 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225275064 569987596 /nfs/dbraw/zinc/98/75/96/569987596.db2.gz LWBKBCIVVYXQHI-QHAWAJNXSA-N 0 0 457.546 2.800 40 0 JFABRN CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000225275999 569987681 /nfs/dbraw/zinc/98/76/81/569987681.db2.gz BVSYVZBRJKVJAB-CVEARBPZSA-N 0 0 468.959 2.849 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000225278596 569987723 /nfs/dbraw/zinc/98/77/23/569987723.db2.gz WOFUHYFLIIHEOX-MJGOQNOKSA-N 0 0 464.971 2.838 40 0 JFABRN CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000408646522 569991869 /nfs/dbraw/zinc/99/18/69/569991869.db2.gz PRRVLNVXEQZUAI-UHFFFAOYSA-N 0 0 452.916 2.953 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 ZINC000408648574 569992842 /nfs/dbraw/zinc/99/28/42/569992842.db2.gz ZIHFQLYTVRXPCT-ZDUSSCGKSA-N 0 0 462.886 2.901 40 0 JFABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCCN2CCOCC2)cc1)S(C)(=O)=O ZINC000225384718 569994286 /nfs/dbraw/zinc/99/42/86/569994286.db2.gz PCWDUYQLWUNNMS-UHFFFAOYSA-N 0 0 459.612 2.722 40 0 JFABRN CC(C)C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)s1 ZINC000225386473 569994357 /nfs/dbraw/zinc/99/43/57/569994357.db2.gz CRSWNKHGQDGKBH-UHFFFAOYSA-N 0 0 456.937 2.657 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000225387954 569994432 /nfs/dbraw/zinc/99/44/32/569994432.db2.gz CUULJKASCRDEIY-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000225388965 569994441 /nfs/dbraw/zinc/99/44/41/569994441.db2.gz HYAVIVFNWBVXBW-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000225387896 569994460 /nfs/dbraw/zinc/99/44/60/569994460.db2.gz ZJPYTIBFOQIWAO-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000408651805 569994535 /nfs/dbraw/zinc/99/45/35/569994535.db2.gz FEJGEWMCBSJAFI-UKRRQHHQSA-N 0 0 478.332 2.907 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225397644 569994796 /nfs/dbraw/zinc/99/47/96/569994796.db2.gz JKVWRPIGGLSTAY-CYBMUJFWSA-N 0 0 473.929 2.548 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225393553 569994799 /nfs/dbraw/zinc/99/47/99/569994799.db2.gz RQUYMWZPVGTQDW-ZWKOTPCHSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nnc(SCC(C)C)s1 ZINC000225395930 569994865 /nfs/dbraw/zinc/99/48/65/569994865.db2.gz LQLXIZLEJIDLAG-UHFFFAOYSA-N 0 0 472.614 2.568 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000225398279 569994935 /nfs/dbraw/zinc/99/49/35/569994935.db2.gz UZHVZFOJFIVDPF-UHFFFAOYSA-N 0 0 464.584 2.990 40 0 JFABRN O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NC[C@@H]1CCCO1 ZINC000408652809 569995186 /nfs/dbraw/zinc/99/51/86/569995186.db2.gz IJQNJUPRKRPANX-HNYLWMRVSA-N 0 0 485.367 2.875 40 0 JFABRN CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1 ZINC000408653597 569995539 /nfs/dbraw/zinc/99/55/39/569995539.db2.gz ITSRGDWGCPBCGY-AWEZNQCLSA-N 0 0 492.315 2.871 40 0 JFABRN COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)c1 ZINC000408653601 569995549 /nfs/dbraw/zinc/99/55/49/569995549.db2.gz IULZTBCNVKCQHQ-KRWDZBQOSA-N 0 0 454.479 2.795 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 ZINC000408653745 569995753 /nfs/dbraw/zinc/99/57/53/569995753.db2.gz AMQHQHQKTKWDLA-IBGZPJMESA-N 0 0 494.500 2.824 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000225424389 569996263 /nfs/dbraw/zinc/99/62/63/569996263.db2.gz JPKNSFRXKYLIBQ-KRWDZBQOSA-N 0 0 471.554 2.908 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000225428504 569996380 /nfs/dbraw/zinc/99/63/80/569996380.db2.gz AHPSLABIFVXVNK-ZDUSSCGKSA-N 0 0 473.929 2.548 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(I)cc1 ZINC000225437449 569996816 /nfs/dbraw/zinc/99/68/16/569996816.db2.gz ZXLPGMOBGBHGQU-ZDUSSCGKSA-N 0 0 470.282 2.972 40 0 JFABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)ccc1Cl ZINC000225437120 569996819 /nfs/dbraw/zinc/99/68/19/569996819.db2.gz WOTZUBQQRABJNS-UHFFFAOYSA-N 0 0 452.872 2.589 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000225437600 569996827 /nfs/dbraw/zinc/99/68/27/569996827.db2.gz IKRZUFYLJIZALD-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225447903 569997285 /nfs/dbraw/zinc/99/72/85/569997285.db2.gz YGUHQEQPTMDARZ-CZAYHTPWSA-N 0 0 453.583 2.702 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000225450519 569997348 /nfs/dbraw/zinc/99/73/48/569997348.db2.gz OZRPWZYTAPBSRM-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1 ZINC000408657267 569998168 /nfs/dbraw/zinc/99/81/68/569998168.db2.gz OREQZTMDHALASB-AWEZNQCLSA-N 0 0 464.305 2.977 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225474443 569998568 /nfs/dbraw/zinc/99/85/68/569998568.db2.gz XMRVBNGBXCDHRB-XLIONFOSSA-N 0 0 471.579 2.553 40 0 JFABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1NS(C)(=O)=O ZINC000225485111 569999185 /nfs/dbraw/zinc/99/91/85/569999185.db2.gz ANATXORXIPDYNC-PMACEKPBSA-N 0 0 457.581 2.977 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1)Nc1ccc(Cl)cc1 ZINC000408658818 569999204 /nfs/dbraw/zinc/99/92/04/569999204.db2.gz RMGDKJBFVSUMGE-ZDUSSCGKSA-N 0 0 494.729 2.778 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1)Nc1ccc(Cl)cc1 ZINC000408658814 569999211 /nfs/dbraw/zinc/99/92/11/569999211.db2.gz RMGDKJBFVSUMGE-CYBMUJFWSA-N 0 0 494.729 2.778 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCSc1ccccc1 ZINC000225491672 569999489 /nfs/dbraw/zinc/99/94/89/569999489.db2.gz QYJKUNKEMYMWPN-UHFFFAOYSA-N 0 0 464.609 2.557 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000408659737 569999794 /nfs/dbraw/zinc/99/97/94/569999794.db2.gz MUUZZNAAIDJHLH-UHFFFAOYSA-N 0 0 451.479 2.983 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3-n3ccnc3C)CC2)cc1 ZINC000225496921 569999879 /nfs/dbraw/zinc/99/98/79/569999879.db2.gz XGUHRGIYCPWVHO-UHFFFAOYSA-N 0 0 468.579 2.906 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)c1 ZINC000225496181 569999911 /nfs/dbraw/zinc/99/99/11/569999911.db2.gz HXVJPSFFPITPAQ-CYBMUJFWSA-N 0 0 480.493 2.837 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000225499417 570000226 /nfs/dbraw/zinc/00/02/26/570000226.db2.gz JHALMIMKIMHXLJ-UHFFFAOYSA-N 0 0 476.595 2.862 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 ZINC000225519558 570001992 /nfs/dbraw/zinc/00/19/92/570001992.db2.gz YPWIHXZWUDZXRG-QGZVFWFLSA-N 0 0 474.535 2.608 40 0 JFABRN COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000408663125 570002223 /nfs/dbraw/zinc/00/22/23/570002223.db2.gz GJVWTKLUQDFLEK-UHFFFAOYSA-N 0 0 458.467 2.781 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(OC)cc3)CC2=O)cc1 ZINC000408663455 570002401 /nfs/dbraw/zinc/00/24/01/570002401.db2.gz YHOUOPJBGYJPSC-QGZVFWFLSA-N 0 0 454.479 2.797 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000408665275 570003757 /nfs/dbraw/zinc/00/37/57/570003757.db2.gz RHDKVOFIWHODCQ-UHFFFAOYSA-N 0 0 452.463 2.812 40 0 JFABRN CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000225539840 570003894 /nfs/dbraw/zinc/00/38/94/570003894.db2.gz VVGUMABBPYFCEO-DYESRHJHSA-N 0 0 482.599 2.897 40 0 JFABRN CCOc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)ccc1OC ZINC000225540692 570003996 /nfs/dbraw/zinc/00/39/96/570003996.db2.gz BBLSWODUZVRTKZ-QGZVFWFLSA-N 0 0 450.532 2.950 40 0 JFABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225541873 570004086 /nfs/dbraw/zinc/00/40/86/570004086.db2.gz NZAFNOXOJZSQOZ-QGZVFWFLSA-N 0 0 458.515 2.935 40 0 JFABRN COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)cc1 ZINC000408665945 570004306 /nfs/dbraw/zinc/00/43/06/570004306.db2.gz RVRRRSASBJUACY-INIZCTEOSA-N 0 0 465.462 3.319 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 ZINC000408667021 570004976 /nfs/dbraw/zinc/00/49/76/570004976.db2.gz IVQADIXIXGDRQX-GOSISDBHSA-N 0 0 481.505 2.745 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225549917 570005016 /nfs/dbraw/zinc/00/50/16/570005016.db2.gz KCHLYUZTILJZFD-QRQLOZEOSA-N 0 0 459.974 2.923 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225551612 570005123 /nfs/dbraw/zinc/00/51/23/570005123.db2.gz VCAXJJUFMFWFRP-INIZCTEOSA-N 0 0 491.997 2.817 40 0 JFABRN CC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)cc1 ZINC000225565462 570006054 /nfs/dbraw/zinc/00/60/54/570006054.db2.gz NJTIMPVVWWSHLC-UHFFFAOYSA-N 0 0 484.578 2.985 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225570193 570006458 /nfs/dbraw/zinc/00/64/58/570006458.db2.gz SHVQVJOPEWCIFP-GHTZIAJQSA-N 0 0 485.606 2.862 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)cc1 ZINC000408669349 570006506 /nfs/dbraw/zinc/00/65/06/570006506.db2.gz WDPPBUYNOOTDDW-ZAOYMGCJSA-N 0 0 476.485 2.970 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)cc1 ZINC000408669348 570006535 /nfs/dbraw/zinc/00/65/35/570006535.db2.gz WDPPBUYNOOTDDW-RBQRDFNRSA-N 0 0 476.485 2.970 40 0 JFABRN Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000225580727 570007213 /nfs/dbraw/zinc/00/72/13/570007213.db2.gz SHLXZXITKXCSOK-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225581929 570007337 /nfs/dbraw/zinc/00/73/37/570007337.db2.gz ZYPOIYMUCXPVDV-INIZCTEOSA-N 0 0 467.538 2.673 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)cc1 ZINC000408671040 570007496 /nfs/dbraw/zinc/00/74/96/570007496.db2.gz RZHABSPRSUDOOW-QGZVFWFLSA-N 0 0 454.479 2.797 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000225584634 570007635 /nfs/dbraw/zinc/00/76/35/570007635.db2.gz XFGQWXOOQCIKOA-KRWDZBQOSA-N 0 0 491.585 2.736 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000225587677 570007904 /nfs/dbraw/zinc/00/79/04/570007904.db2.gz PNDNXBXFDSMEIA-QGZVFWFLSA-N 0 0 496.580 2.520 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000225614502 570009650 /nfs/dbraw/zinc/00/96/50/570009650.db2.gz PSOZCZAXYSSQJY-UHFFFAOYSA-N 0 0 491.016 2.884 40 0 JFABRN CCOc1ccccc1CCCNC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000225621014 570010301 /nfs/dbraw/zinc/01/03/01/570010301.db2.gz IBWLCPYVHQERBP-UHFFFAOYSA-N 0 0 490.622 2.796 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)s1 ZINC000225638333 570011446 /nfs/dbraw/zinc/01/14/46/570011446.db2.gz NNCWYGVPJCMDHL-UHFFFAOYSA-N 0 0 472.614 2.605 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 ZINC000408680609 570012348 /nfs/dbraw/zinc/01/23/48/570012348.db2.gz OAXWCKZAFJRTRS-UHFFFAOYSA-N 0 0 491.635 2.824 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)s1 ZINC000225656946 570012742 /nfs/dbraw/zinc/01/27/42/570012742.db2.gz DLKLVQGGYGGYHE-UHFFFAOYSA-N 0 0 496.567 2.776 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)CN(c3cc(C)ccc3OC)S(C)(=O)=O)s2)cc1 ZINC000225661646 570013151 /nfs/dbraw/zinc/01/31/51/570013151.db2.gz DJHOJZAURRYJGB-UHFFFAOYSA-N 0 0 462.553 2.935 40 0 JFABRN COc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225662040 570013210 /nfs/dbraw/zinc/01/32/10/570013210.db2.gz JZZBPEWEMMGRSS-IBGZPJMESA-N 0 0 475.611 2.566 40 0 JFABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000225662397 570013227 /nfs/dbraw/zinc/01/32/27/570013227.db2.gz OVPOCYDLWJKATC-KRWDZBQOSA-N 0 0 495.623 2.663 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225671199 570013764 /nfs/dbraw/zinc/01/37/64/570013764.db2.gz ZJOLFJUBOGGFDU-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1S(=O)(=O)N1CCCCC1 ZINC000225680007 570014145 /nfs/dbraw/zinc/01/41/45/570014145.db2.gz GJBDLSNKGBYTMQ-UHFFFAOYSA-N 0 0 497.620 2.584 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225682694 570014285 /nfs/dbraw/zinc/01/42/85/570014285.db2.gz XOVUDIYRDQZZJA-QGZVFWFLSA-N 0 0 481.565 2.920 40 0 JFABRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)n2)cc1 ZINC000225684952 570014515 /nfs/dbraw/zinc/01/45/15/570014515.db2.gz MJLWZBJZOTYDHK-UHFFFAOYSA-N 0 0 460.537 2.869 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000225690362 570014943 /nfs/dbraw/zinc/01/49/43/570014943.db2.gz SQVMXXBQKCUVBI-IBGZPJMESA-N 0 0 487.622 2.640 40 0 JFABRN CCn1c2ccc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2sc1=O ZINC000225691902 570015026 /nfs/dbraw/zinc/01/50/26/570015026.db2.gz QJSLSJRCOIXYPE-UHFFFAOYSA-N 0 0 467.594 2.668 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225695896 570015456 /nfs/dbraw/zinc/01/54/56/570015456.db2.gz LNYUSLLMSYKNAL-LJQANCHMSA-N 0 0 485.606 2.596 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225695922 570015508 /nfs/dbraw/zinc/01/55/08/570015508.db2.gz LNYUSLLMSYKNAL-IBGZPJMESA-N 0 0 485.606 2.596 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000408693241 570015882 /nfs/dbraw/zinc/01/58/82/570015882.db2.gz XQZYAZNGJCJPHA-UHFFFAOYSA-N 0 0 461.584 2.946 40 0 JFABRN CCn1c2ccc(S(=O)(=O)N(C)Cc3nc(-c4ccc(OC)cc4)no3)cc2sc1=O ZINC000225700019 570015973 /nfs/dbraw/zinc/01/59/73/570015973.db2.gz IEGRCNLSZPNINP-UHFFFAOYSA-N 0 0 460.537 2.962 40 0 JFABRN COc1ccc(S(=O)(=O)NCCSCc2cccc(C)c2)cc1C(=O)N1CCOCC1 ZINC000408693380 570016054 /nfs/dbraw/zinc/01/60/54/570016054.db2.gz REVJEJLIJBWOKC-UHFFFAOYSA-N 0 0 464.609 2.688 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225707097 570016344 /nfs/dbraw/zinc/01/63/44/570016344.db2.gz LSBQOXGWKYCEOO-FQEVSTJZSA-N 0 0 463.575 2.924 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225711576 570016725 /nfs/dbraw/zinc/01/67/25/570016725.db2.gz QZNOITBJDAFLPK-QFIPXVFZSA-N 0 0 474.627 2.631 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225716644 570017085 /nfs/dbraw/zinc/01/70/85/570017085.db2.gz WOMDKBLZNQGQKH-HXUWFJFHSA-N 0 0 471.579 2.553 40 0 JFABRN COC(=O)c1cc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408694782 570017266 /nfs/dbraw/zinc/01/72/66/570017266.db2.gz HTSFOJFXNBOXJI-UHFFFAOYSA-N 0 0 462.524 2.753 40 0 JFABRN Cc1ccc(-c2nnc(NC(=O)CN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)s2)cc1 ZINC000225728089 570018283 /nfs/dbraw/zinc/01/82/83/570018283.db2.gz DXZRYWZRUHZACK-UHFFFAOYSA-N 0 0 460.537 2.689 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000225761388 570020536 /nfs/dbraw/zinc/02/05/36/570020536.db2.gz WRLUYMUMSIYQLX-UHFFFAOYSA-N 0 0 464.569 2.648 40 0 JFABRN COc1ccc2c(c1)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1)CC(C)(C)O2 ZINC000225772724 570020897 /nfs/dbraw/zinc/02/08/97/570020897.db2.gz LSOAJZFNONYBFT-GOSISDBHSA-N 0 0 478.567 2.752 40 0 JFABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000408701073 570021563 /nfs/dbraw/zinc/02/15/63/570021563.db2.gz QXCXXZBAIKSYOO-GOSISDBHSA-N 0 0 459.568 2.957 40 0 JFABRN CN(CC(=O)NCc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225824077 570023552 /nfs/dbraw/zinc/02/35/52/570023552.db2.gz ZZTJYSMYTUSSOC-UHFFFAOYSA-N 0 0 455.323 2.980 40 0 JFABRN COc1cc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(OC)cc1Cl ZINC000408704106 570023683 /nfs/dbraw/zinc/02/36/83/570023683.db2.gz JQEQXSPZAXOVAZ-GFCCVEGCSA-N 0 0 470.931 2.922 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704523 570024001 /nfs/dbraw/zinc/02/40/01/570024001.db2.gz OZYDYZZWUBVTRW-CVEARBPZSA-N 0 0 475.567 2.779 40 0 JFABRN C[C@H](C(=O)NCCSCc1ccccc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704487 570024045 /nfs/dbraw/zinc/02/40/45/570024045.db2.gz OFKGVFYHQXRNDE-MRXNPFEDSA-N 0 0 450.582 2.662 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1cc(C(=O)OC)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000408705439 570024608 /nfs/dbraw/zinc/02/46/08/570024608.db2.gz FUFDGNPSQFGDFT-UHFFFAOYSA-N 0 0 468.915 2.693 40 0 JFABRN Cc1nc(SCCNC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)n[nH]1 ZINC000225849717 570024642 /nfs/dbraw/zinc/02/46/42/570024642.db2.gz ZTNYZPPJUOGVTO-AWEZNQCLSA-N 0 0 457.581 2.775 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCSCc1cccc(C)c1)c1ccc2c(c1)OCO2 ZINC000408705902 570024834 /nfs/dbraw/zinc/02/48/34/570024834.db2.gz PWXVVQUYRQSANF-UHFFFAOYSA-N 0 0 450.582 2.929 40 0 JFABRN Cc1ccc(C)c(N(CCCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1 ZINC000408706416 570025238 /nfs/dbraw/zinc/02/52/38/570025238.db2.gz OZRQZVZWDAHQHA-UHFFFAOYSA-N 0 0 467.613 2.884 40 0 JFABRN COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)NCCc1ccccc1 ZINC000408713788 570025690 /nfs/dbraw/zinc/02/56/90/570025690.db2.gz XCOJLDJGEFDSLU-UHFFFAOYSA-N 0 0 468.531 2.875 40 0 JFABRN COc1ccc(-c2nnc(CN(C)C(=O)CCCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)o2)cc1OC ZINC000408714701 570025941 /nfs/dbraw/zinc/02/59/41/570025941.db2.gz VPBQNZPPVMGXCG-IAGOWNOFSA-N 0 0 470.526 2.668 40 0 JFABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC)c3ccc(S(C)(=O)=O)cc3)ccc21 ZINC000225875556 570026136 /nfs/dbraw/zinc/02/61/36/570026136.db2.gz ZRZKDNGWMHDVDU-IBGZPJMESA-N 0 0 450.582 2.819 40 0 JFABRN S=C(NCCN1CCOCC1)Nc1nc(N2Cc3ccccc3C2)cc(N2CCCCCC2)n1 ZINC000225904952 570026767 /nfs/dbraw/zinc/02/67/67/570026767.db2.gz DLZFAQUWNQXFOS-UHFFFAOYSA-N 0 0 481.670 2.996 40 0 JFABRN CC1CCN(c2cc(N3CCC(C)CC3)nc(NC(=S)NCCN3CCOCC3)n2)CC1 ZINC000225903988 570026775 /nfs/dbraw/zinc/02/67/75/570026775.db2.gz JILQDRKRQWUOIB-UHFFFAOYSA-N 0 0 461.680 2.568 40 0 JFABRN C[C@H]1CCCN(c2cc(N3Cc4ccccc4C3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225904339 570026793 /nfs/dbraw/zinc/02/67/93/570026793.db2.gz OSFLXQZPAGOHKF-IBGZPJMESA-N 0 0 481.670 2.852 40 0 JFABRN COCc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2C=CC3[C@H]3C(=O)N(c4cccc(COC)c4)C(=O)[C@H]32)c1 ZINC000408723740 570027656 /nfs/dbraw/zinc/02/76/56/570027656.db2.gz HVVWFACYFBIXKA-DLMXUGLJSA-N 0 0 486.524 2.707 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c1 ZINC000225920794 570027674 /nfs/dbraw/zinc/02/76/74/570027674.db2.gz MHYONBPEMZBYFQ-GOSISDBHSA-N 0 0 479.624 2.559 40 0 JFABRN COCc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C(=O)N(c4cccc(COC)c4)C(=O)[C@@H]32)c1 ZINC000408723739 570027691 /nfs/dbraw/zinc/02/76/91/570027691.db2.gz HVVWFACYFBIXKA-BUOQGALMSA-N 0 0 486.524 2.707 40 0 JFABRN CCOC(=O)COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000225923038 570027788 /nfs/dbraw/zinc/02/77/88/570027788.db2.gz ICKNBHQUWYFACQ-UHFFFAOYSA-N 0 0 452.504 2.604 40 0 JFABRN Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)c1 ZINC000225924963 570027884 /nfs/dbraw/zinc/02/78/84/570027884.db2.gz PUXIPIVNNIWLCD-UHFFFAOYSA-N 0 0 493.651 2.902 40 0 JFABRN COc1cc(/C=C2\NC(=S)NC2=O)ccc1OC(=O)c1ccccc1I ZINC000408727443 570028322 /nfs/dbraw/zinc/02/83/22/570028322.db2.gz YKNFPQSJHOMUQB-JYRVWZFOSA-N 0 0 480.283 2.864 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3ccco3)sc2=N[C@@H]1c1ccc(O)c(OCC)c1 ZINC000408731418 570029246 /nfs/dbraw/zinc/02/92/46/570029246.db2.gz KKBKYVNPPMQIGH-VOMPUTFMSA-N 0 0 454.504 2.605 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3O)sc2=N[C@H]1c1ccc(OC)cc1 ZINC000408732918 570029651 /nfs/dbraw/zinc/02/96/51/570029651.db2.gz UNAFDQJBVYRFDU-FNGUVFISSA-N 0 0 450.516 2.621 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(O)c(OC)c3)sc2=N[C@H]1c1ccccc1 ZINC000408733295 570029736 /nfs/dbraw/zinc/02/97/36/570029736.db2.gz XDPBAXOJMKVFKT-FNGUVFISSA-N 0 0 450.516 2.621 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(O)c(OC)c3)sc2=N[C@@H]1c1ccccc1 ZINC000408733294 570029755 /nfs/dbraw/zinc/02/97/55/570029755.db2.gz XDPBAXOJMKVFKT-CNSVBDKNSA-N 0 0 450.516 2.621 40 0 JFABRN Cc1nc(SCCNC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)n[nH]1 ZINC000225982526 570030906 /nfs/dbraw/zinc/03/09/06/570030906.db2.gz BQELIGRICSJTQC-UHFFFAOYSA-N 0 0 459.597 2.698 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000225996469 570031451 /nfs/dbraw/zinc/03/14/51/570031451.db2.gz YDHSCLMZLFYAHU-HSZRJFAPSA-N 0 0 480.542 2.845 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000225996755 570031515 /nfs/dbraw/zinc/03/15/15/570031515.db2.gz ZAXNEERFAGXJHT-UHFFFAOYSA-N 0 0 487.603 2.733 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000225998083 570031584 /nfs/dbraw/zinc/03/15/84/570031584.db2.gz NPQRHAYKRIKYNB-JOCHJYFZSA-N 0 0 472.563 2.977 40 0 JFABRN Cc1nc(SCCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000226002522 570032000 /nfs/dbraw/zinc/03/20/00/570032000.db2.gz MPDRREHKLZCVJI-UHFFFAOYSA-N 0 0 480.015 2.866 40 0 JFABRN FC(F)(F)c1cc(N2CCOCC2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 ZINC000226015794 570032994 /nfs/dbraw/zinc/03/29/94/570032994.db2.gz YTJJADCRNMQNGS-UHFFFAOYSA-N 0 0 455.462 2.590 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000226036237 570033629 /nfs/dbraw/zinc/03/36/29/570033629.db2.gz QOLWKABUQNKDGL-UHFFFAOYSA-N 0 0 494.422 2.811 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccccc2)cc1C ZINC000226046320 570034016 /nfs/dbraw/zinc/03/40/16/570034016.db2.gz BXUNJHLDCSORBO-UHFFFAOYSA-N 0 0 481.574 2.861 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)NC(C)C)cc3C)c2)n1 ZINC000226054542 570034698 /nfs/dbraw/zinc/03/46/98/570034698.db2.gz JIGNHZLBNZKACG-UHFFFAOYSA-N 0 0 470.551 2.758 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000226066120 570035318 /nfs/dbraw/zinc/03/53/18/570035318.db2.gz JWPRTICPTBDRKE-UHFFFAOYSA-N 0 0 454.932 2.713 40 0 JFABRN CCN(CC(=O)NCCSc1n[nH]c(-c2ccccc2)n1)S(=O)(=O)c1cc(F)ccc1OC ZINC000226069679 570035607 /nfs/dbraw/zinc/03/56/07/570035607.db2.gz WFRURMLVEUCBMM-UHFFFAOYSA-N 0 0 493.586 2.539 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000226074665 570036009 /nfs/dbraw/zinc/03/60/09/570036009.db2.gz MEKHCXBOXJGMJA-UHFFFAOYSA-N 0 0 492.594 2.780 40 0 JFABRN CCN(CC(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1)S(=O)(=O)c1cc(F)ccc1OC ZINC000226076624 570036180 /nfs/dbraw/zinc/03/61/80/570036180.db2.gz AHMSFVUTCKGVNX-UHFFFAOYSA-N 0 0 474.514 2.542 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)cc1 ZINC000226077216 570036315 /nfs/dbraw/zinc/03/63/15/570036315.db2.gz WANMGFHIKOFLLK-GOSISDBHSA-N 0 0 479.624 2.593 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408777268 570040515 /nfs/dbraw/zinc/04/05/15/570040515.db2.gz XJBGBPRDSGTMLH-WLJFKGHSSA-N 0 0 480.517 2.863 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCc2ccccc21)OCCO3 ZINC000229904969 570042133 /nfs/dbraw/zinc/04/21/33/570042133.db2.gz KOLPYRUOCBEJDL-KOSHJBKYSA-N 0 0 486.532 2.617 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408785698 570042922 /nfs/dbraw/zinc/04/29/22/570042922.db2.gz AVURYDBEUCYLBE-VLOXRPPESA-N 0 0 480.517 2.709 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCc2ccccc21)OCO3 ZINC000231657548 570046841 /nfs/dbraw/zinc/04/68/41/570046841.db2.gz XPTRXFOUBVFDIP-HXOBKFHXSA-N 0 0 472.505 2.574 40 0 JFABRN CCOC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3cccs3)[C@@H]2C1=O ZINC000238924114 570047950 /nfs/dbraw/zinc/04/79/50/570047950.db2.gz RBCZJILDZWSGIA-XANJKINNSA-N 0 0 490.628 2.924 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408831123 570052770 /nfs/dbraw/zinc/05/27/70/570052770.db2.gz PSDZKYAORSZUOT-WLJFKGHSSA-N 0 0 464.543 2.821 40 0 JFABRN COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000245229612 570056064 /nfs/dbraw/zinc/05/60/64/570056064.db2.gz BYCNFUAPZHZIRN-OJXRJRMYSA-N 0 0 486.480 2.640 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000245229677 570056178 /nfs/dbraw/zinc/05/61/78/570056178.db2.gz CXLBCXITWVXHHO-ISJRUSPKSA-N 0 0 488.587 2.634 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000245230378 570056469 /nfs/dbraw/zinc/05/64/69/570056469.db2.gz QGKJXAMFYPSPLC-BTKWVRSESA-N 0 0 496.585 2.881 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408934612 570081016 /nfs/dbraw/zinc/08/10/16/570081016.db2.gz CRCYZGBROOBYLK-WQLLJXGDSA-N 0 0 498.944 2.799 40 0 JFABRN COC(=O)COc1c(I)cc(C(C)=O)cc1I ZINC000252480082 570081676 /nfs/dbraw/zinc/08/16/76/570081676.db2.gz BUHOPSFWSOVNEA-UHFFFAOYSA-N 0 0 460.005 2.650 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc(F)c4)c(=O)n32)cc1OCC ZINC000408942246 570082864 /nfs/dbraw/zinc/08/28/64/570082864.db2.gz XAXJCGGTLWCHMG-BYUJNSPJSA-N 0 0 482.533 2.955 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408953379 570084479 /nfs/dbraw/zinc/08/44/79/570084479.db2.gz WDKHSDWHPKWUHH-JYWRCUDFSA-N 0 0 470.934 2.776 40 0 JFABRN O=C(CN1C(=O)N/C(=C\c2ccc(O)c(I)c2)C1=O)Nc1ccc(F)cc1 ZINC000408961406 570086065 /nfs/dbraw/zinc/08/60/65/570086065.db2.gz BZQKFABDSYPFMO-ZSOIEALJSA-N 0 0 481.221 2.667 40 0 JFABRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(O)c(I)c3)C2=O)c1 ZINC000408961685 570086089 /nfs/dbraw/zinc/08/60/89/570086089.db2.gz DIIVYUBCAWDPMB-DHDCSXOGSA-N 0 0 477.258 2.837 40 0 JFABRN Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(O)c(I)c2)C1=O ZINC000408962709 570086529 /nfs/dbraw/zinc/08/65/29/570086529.db2.gz JMQWOSJPXHBSQB-DHDCSXOGSA-N 0 0 477.258 2.837 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408976732 570090056 /nfs/dbraw/zinc/09/00/56/570090056.db2.gz SRACYTWQVCMOCU-LJJBLSSYSA-N 0 0 494.569 2.911 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408979362 570090499 /nfs/dbraw/zinc/09/04/99/570090499.db2.gz BYJQWPYCBRJHSJ-QTQQGTETSA-N 0 0 454.529 2.589 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408991450 570094139 /nfs/dbraw/zinc/09/41/39/570094139.db2.gz XKLSYAIBBVNRDO-CYEGBWLXSA-N 0 0 470.572 2.877 40 0 JFABRN CCOC(=O)CSC1=N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N1 ZINC000408991900 570094212 /nfs/dbraw/zinc/09/42/12/570094212.db2.gz RKXKOCRIXOIVHI-SFHVURJKSA-N 0 0 452.529 2.846 40 0 JFABRN CCOC(=O)CSC1=N[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N1 ZINC000408991896 570094224 /nfs/dbraw/zinc/09/42/24/570094224.db2.gz RKXKOCRIXOIVHI-GOSISDBHSA-N 0 0 452.529 2.846 40 0 JFABRN COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C1CCC1)CC2=O ZINC000253398820 570096189 /nfs/dbraw/zinc/09/61/89/570096189.db2.gz HOYJSEUHMQUBBE-HJIDZEHQSA-N 0 0 455.599 2.607 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000409004221 570097312 /nfs/dbraw/zinc/09/73/12/570097312.db2.gz BFYGVFMYTVBMKM-UHFFFAOYSA-N 0 0 458.580 2.988 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccc(Cl)cc2)cc1 ZINC000409004474 570097498 /nfs/dbraw/zinc/09/74/98/570097498.db2.gz DAZYCBNCNCFGIV-UHFFFAOYSA-N 0 0 463.987 2.563 40 0 JFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C(N)=O)cc2)cc1OC ZINC000409004791 570097634 /nfs/dbraw/zinc/09/76/34/570097634.db2.gz RQSJGBJVQGMXED-UHFFFAOYSA-N 0 0 497.573 2.675 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500433 570101791 /nfs/dbraw/zinc/10/17/91/570101791.db2.gz NTLSGMDWYIJVTL-WOJBJXKFSA-N 0 0 468.558 2.931 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409031893 570105929 /nfs/dbraw/zinc/10/59/29/570105929.db2.gz BXQCDSIGPHOGEX-QCHPHUCNSA-N 0 0 493.585 2.989 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(O)c(OC)c3)sc2=N1 ZINC000409038268 570107016 /nfs/dbraw/zinc/10/70/16/570107016.db2.gz VCQFIIRHQGLXFF-CNSVBDKNSA-N 0 0 450.516 2.513 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(OC)c(O)c3)sc2=N1 ZINC000409040385 570107357 /nfs/dbraw/zinc/10/73/57/570107357.db2.gz TZNJRRSTGPXKRO-UBXANZILSA-N 0 0 450.516 2.513 40 0 JFABRN COc1ccc(C(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000409051213 570109947 /nfs/dbraw/zinc/10/99/47/570109947.db2.gz JGUGVDMMCPVVGF-UHFFFAOYSA-N 0 0 465.550 2.621 40 0 JFABRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(OC)c(O)c(OC)c1 ZINC000409051487 570110076 /nfs/dbraw/zinc/11/00/76/570110076.db2.gz CVBHALAILCIHDF-SXGWCWSVSA-N 0 0 458.492 2.566 40 0 JFABRN Cc1nccn1CC(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1 ZINC000257207325 570110117 /nfs/dbraw/zinc/11/01/17/570110117.db2.gz BHFVGBINZPCONF-UHFFFAOYSA-N 0 0 474.989 2.782 40 0 JFABRN CNC(=O)c1cccc([C@H]2CN(CC(=O)NCc3ccc4[nH]c(C)c(C)c4c3)CCN2C(C)=O)c1 ZINC000257207696 570110172 /nfs/dbraw/zinc/11/01/72/570110172.db2.gz BIUOTBWCAUEROC-RUZDIDTESA-N 0 0 475.593 2.666 40 0 JFABRN COc1ccc(C(=O)N2CC[C@H](Cc3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C)CC4)n3)C2)cc1 ZINC000257214467 570112531 /nfs/dbraw/zinc/11/25/31/570112531.db2.gz CMCPIUIBLQQUIL-LJQANCHMSA-N 0 0 490.612 2.717 40 0 JFABRN COc1ccc(C2(C(=O)N3CC[C@@]4(C3)CN(c3ccccc3)C(=O)CO4)CCOCC2)cc1 ZINC000257215838 570112755 /nfs/dbraw/zinc/11/27/55/570112755.db2.gz CRWQWHUOVGQVKC-RUZDIDTESA-N 0 0 450.535 2.778 40 0 JFABRN CN1CCN(C(=O)C[C@H]2CN(C(=O)CCN3CCc4ccccc43)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257216438 570113086 /nfs/dbraw/zinc/11/30/86/570113086.db2.gz CUNLGAYAMNITGV-IGKIAQTJSA-N 0 0 490.648 2.899 40 0 JFABRN CC(C)c1nc2ccccc2n1CCCC(=O)N[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257216643 570113174 /nfs/dbraw/zinc/11/31/74/570113174.db2.gz CVMRBUAGHQYVOT-JLMWRMLUSA-N 0 0 476.585 2.933 40 0 JFABRN Cc1c(CCC(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCOCC3)C2)cnn1C ZINC000257217870 570113436 /nfs/dbraw/zinc/11/34/36/570113436.db2.gz DAYLNDRTTUCUOJ-REWPJTCUSA-N 0 0 489.016 2.860 40 0 JFABRN COc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3c(C)cccc3C)n2C)cc1 ZINC000409059719 570113535 /nfs/dbraw/zinc/11/35/35/570113535.db2.gz NQAYUXLSBKKHSS-UHFFFAOYSA-N 0 0 469.567 2.867 40 0 JFABRN Cc1noc(C)c1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257220055 570114141 /nfs/dbraw/zinc/11/41/41/570114141.db2.gz DJHYSVJTYZBQDZ-URXFXBBRSA-N 0 0 468.598 2.684 40 0 JFABRN CN(C)C(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(C)CCN(C(=O)C3CCCC3)CC2)C1 ZINC000257223162 570115044 /nfs/dbraw/zinc/11/50/44/570115044.db2.gz DWELYVWMUSILGB-AREMUKBSSA-N 0 0 454.615 2.849 40 0 JFABRN CC(=O)N1CCN(C(=O)c2ccc(-n3cccn3)nc2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257224750 570115611 /nfs/dbraw/zinc/11/56/11/570115611.db2.gz FDFAWMRHMLORNZ-HXUWFJFHSA-N 0 0 454.534 2.979 40 0 JFABRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC ZINC000409064090 570115668 /nfs/dbraw/zinc/11/56/68/570115668.db2.gz BOYSZSFEZDJFEI-WWNSAXIVSA-N 0 0 457.888 2.888 40 0 JFABRN CCn1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cn1 ZINC000257225582 570115898 /nfs/dbraw/zinc/11/58/98/570115898.db2.gz FGVSHNGEOUIDBT-AVRDEDQJSA-N 0 0 474.005 2.630 40 0 JFABRN CCn1cc(NC(=O)CN2C[C@@H]3CCCCN(C(=O)c4cccc(OC)c4OC)[C@@H]3C2)c(C)n1 ZINC000257227317 570116272 /nfs/dbraw/zinc/11/62/72/570116272.db2.gz FOSFBBPPJHIZLR-GHTZIAJQSA-N 0 0 469.586 2.794 40 0 JFABRN Cc1cc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCN(c3ccccc3)CC2)on1 ZINC000257228001 570116416 /nfs/dbraw/zinc/11/64/16/570116416.db2.gz FRXYUUBYCALYTE-SDZTWWDVSA-N 0 0 480.540 2.624 40 0 JFABRN COc1ccc([C@@H]2CN(C(=O)c3cccc(NC(=O)c4cnn(C)c4)c3)CCN2C(C)=O)cc1 ZINC000257231475 570117494 /nfs/dbraw/zinc/11/74/94/570117494.db2.gz GGWFGPJBSSWOFO-QHCPKHFHSA-N 0 0 461.522 2.727 40 0 JFABRN O=C(C[C@]1(COc2ccccc2)CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCOCC1 ZINC000257237897 570119432 /nfs/dbraw/zinc/11/94/32/570119432.db2.gz HISUVTHOKTZVPF-RUZDIDTESA-N 0 0 472.607 2.927 40 0 JFABRN CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(CC(=O)NCc2ccc3[nH]c(C)c(C)c3c2)[C@H]1c1ccccc1 ZINC000257243107 570121000 /nfs/dbraw/zinc/12/10/00/570121000.db2.gz IFMQVOUAXMILAF-KLJDGLGGSA-N 0 0 489.620 2.809 40 0 JFABRN CN1C(=O)N(CC(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)C(=O)C12CCCCC2 ZINC000257243680 570121208 /nfs/dbraw/zinc/12/12/08/570121208.db2.gz IIBLHITUCAHRLM-FQEVSTJZSA-N 0 0 484.601 2.733 40 0 JFABRN CC(C)C(=O)N[C@H]1CCN(C(=O)CCCn2c3ccccc3nc2C(F)(F)F)CC[C@@H]1O ZINC000257245315 570121545 /nfs/dbraw/zinc/12/15/45/570121545.db2.gz IOYFHYLHBFMKNC-WMZOPIPTSA-N 0 0 454.493 2.959 40 0 JFABRN COc1ccc(-c2nccc([C@H]3CCCN3C(=O)[C@]3(C)CCCN(S(C)(=O)=O)C3)n2)cc1 ZINC000257252839 570124027 /nfs/dbraw/zinc/12/40/27/570124027.db2.gz JWHIVOPQWMOYJK-NFBKMPQASA-N 0 0 458.584 2.877 40 0 JFABRN NC(=O)C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000257257579 570125515 /nfs/dbraw/zinc/12/55/15/570125515.db2.gz KQFSVVKZFUFAER-QFIPXVFZSA-N 0 0 480.970 2.837 40 0 JFABRN Cc1cc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCOCC3)C2)on1 ZINC000257261049 570126727 /nfs/dbraw/zinc/12/67/27/570126727.db2.gz LFNDHFGSNJDGOP-LPHOPBHVSA-N 0 0 492.370 2.904 40 0 JFABRN COCCC(=O)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)CC1 ZINC000257261253 570126763 /nfs/dbraw/zinc/12/67/63/570126763.db2.gz LGKLFFDLGZWKME-UHFFFAOYSA-N 0 0 451.995 2.528 40 0 JFABRN Cn1ccc(C(=O)Nc2ccccc2C(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)O3)C2)n1 ZINC000257267431 570128727 /nfs/dbraw/zinc/12/87/27/570128727.db2.gz MHHIWVWITDVKAY-RUZDIDTESA-N 0 0 459.506 2.910 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409105693 570130015 /nfs/dbraw/zinc/13/00/15/570130015.db2.gz NYHQORCWUCBKGE-XOYGFPHKSA-N 0 0 492.601 2.516 40 0 JFABRN COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000257276700 570131544 /nfs/dbraw/zinc/13/15/44/570131544.db2.gz NUURDCTVXZYWKZ-WCYRKSIYSA-N 0 0 491.592 2.699 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@H]1c1cccs1 ZINC000409109558 570131570 /nfs/dbraw/zinc/13/15/70/570131570.db2.gz HERUQFHJECSKOV-HMNTXPNISA-N 0 0 485.974 2.836 40 0 JFABRN CO[C@H]1c2c(O)c(C(=O)NCCNc3ccccn3)ccc2O[C@@H]2C[C@H]3C[C@H](C3(C)C)[C@@]21O ZINC000257280097 570132737 /nfs/dbraw/zinc/13/27/37/570132737.db2.gz OJKREZTZCKAKGS-WQTRVTEISA-N 0 0 453.539 2.875 40 0 JFABRN CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CN(Cc3nccs3)CCO2)CC1 ZINC000257291253 570135806 /nfs/dbraw/zinc/13/58/06/570135806.db2.gz QGGLNYSANSBAFU-QFIPXVFZSA-N 0 0 465.019 2.611 40 0 JFABRN Cn1cnc(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)c1 ZINC000257292410 570136306 /nfs/dbraw/zinc/13/63/06/570136306.db2.gz QLHNUWHLXSOKFR-XMMPIXPASA-N 0 0 474.005 2.539 40 0 JFABRN Cc1cc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCN(c3ccccc3)CC2)no1 ZINC000257294681 570136775 /nfs/dbraw/zinc/13/67/75/570136775.db2.gz QVGOJWOJOWKCKW-VGCGRUFVSA-N 0 0 480.540 2.624 40 0 JFABRN CC1(C(=O)N2CC[C@]3(CN(Cc4ccc(F)cc4)C(=O)O3)C2)CCN(c2ncccn2)CC1 ZINC000257297057 570137632 /nfs/dbraw/zinc/13/76/32/570137632.db2.gz RFPCUQVKGIIIME-XMMPIXPASA-N 0 0 453.518 2.846 40 0 JFABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(Cc4ccccc4)CCOCC3)CCN2C(C)=O)c1 ZINC000257297222 570137679 /nfs/dbraw/zinc/13/76/79/570137679.db2.gz RGJVVEGZPCSDFQ-DEOSSOPVSA-N 0 0 463.578 2.818 40 0 JFABRN Cn1c2ccc(NC(=O)CN3CC[C@@]4(CCCO4)[C@@H](OCc4ccccc4)C3)cc2n(C)c1=O ZINC000257304305 570139611 /nfs/dbraw/zinc/13/96/11/570139611.db2.gz SKZBFHRUHAFSRA-OZXSUGGESA-N 0 0 464.566 2.656 40 0 JFABRN Cc1cncc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)c1 ZINC000257304824 570139866 /nfs/dbraw/zinc/13/98/66/570139866.db2.gz SNHLGCRPTHXEMS-RUZDIDTESA-N 0 0 473.017 2.858 40 0 JFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)n1 ZINC000257305695 570140021 /nfs/dbraw/zinc/14/00/21/570140021.db2.gz SRBRPZRHAQVNRM-MRXNPFEDSA-N 0 0 468.945 2.532 40 0 JFABRN COC(=O)c1c(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)sc2c1CCCC2 ZINC000409131061 570140089 /nfs/dbraw/zinc/14/00/89/570140089.db2.gz LPYDPQIRYPOCNK-UHFFFAOYSA-N 0 0 482.580 2.835 40 0 JFABRN COc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O ZINC000409132362 570140763 /nfs/dbraw/zinc/14/07/63/570140763.db2.gz XMZXXWUMRHPXQM-UHFFFAOYSA-N 0 0 457.508 2.623 40 0 JFABRN Cn1ccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)CC2)n1 ZINC000257310588 570141564 /nfs/dbraw/zinc/14/15/64/570141564.db2.gz UFUDLEUDKQSSJC-UHFFFAOYSA-N 0 0 460.962 2.624 40 0 JFABRN COc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C(N)=O)cc1NCc1cccnc1 ZINC000257310696 570141595 /nfs/dbraw/zinc/14/15/95/570141595.db2.gz UGDLNQRUFQZJOA-QHCPKHFHSA-N 0 0 459.550 2.514 40 0 JFABRN O=C(N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1)C1(Cc2ccccc2F)CCOCC1 ZINC000257313648 570142555 /nfs/dbraw/zinc/14/25/55/570142555.db2.gz UTMRNCCHMHWYES-ZEQRLZLVSA-N 0 0 466.553 2.846 40 0 JFABRN Cc1nc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCc3ccccc3C2)co1 ZINC000257316406 570143578 /nfs/dbraw/zinc/14/35/78/570143578.db2.gz VFLSRIUZKYAMMS-AZOUXBGGSA-N 0 0 451.498 2.860 40 0 JFABRN CCOCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000409138862 570143595 /nfs/dbraw/zinc/14/35/95/570143595.db2.gz IZYLSJVERXBIQW-UHFFFAOYSA-N 0 0 450.557 2.750 40 0 JFABRN Cc1ccnn1CCC(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257317873 570143814 /nfs/dbraw/zinc/14/38/14/570143814.db2.gz VLNZGJIYRRACGO-RUZDIDTESA-N 0 0 472.561 2.657 40 0 JFABRN Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)n1 ZINC000257320646 570144688 /nfs/dbraw/zinc/14/46/88/570144688.db2.gz VXSIJADQJADVJQ-LJQANCHMSA-N 0 0 450.543 2.836 40 0 JFABRN CC(=O)N1CCN(CC(=O)NCCc2nc3ccccc3[nH]2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257323021 570145340 /nfs/dbraw/zinc/14/53/40/570145340.db2.gz WILPCDZNYUQHLH-NRFANRHFSA-N 0 0 484.604 2.793 40 0 JFABRN CCOc1ccc(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(C)(=O)=O)cc1 ZINC000409143440 570145762 /nfs/dbraw/zinc/14/57/62/570145762.db2.gz MEFOALSBKCZPHN-UHFFFAOYSA-N 0 0 451.976 2.854 40 0 JFABRN Cc1cnn(CC(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)c1 ZINC000257326915 570146692 /nfs/dbraw/zinc/14/66/92/570146692.db2.gz WZCSRQQGBSBQQO-DEOSSOPVSA-N 0 0 474.989 2.782 40 0 JFABRN CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)C3(c4ccccc4F)CCOCC3)CC2)n1 ZINC000257327762 570146766 /nfs/dbraw/zinc/14/67/66/570146766.db2.gz XCPBFTKFUVLQIV-UHFFFAOYSA-N 0 0 454.546 2.912 40 0 JFABRN CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3c(C)nn(Cc4ccccc4)c3C)CCN2C)c1 ZINC000257327608 570146776 /nfs/dbraw/zinc/14/67/76/570146776.db2.gz XCAQTTOQAOUAIZ-XMMPIXPASA-N 0 0 474.609 2.835 40 0 JFABRN CCc1nc(NC(=O)CN2C[C@]3(NC(C)=O)CN(C(C)=O)CC[C@@H]3[C@H]2c2ccccc2)sc1C ZINC000257328161 570146922 /nfs/dbraw/zinc/14/69/22/570146922.db2.gz XEKUYXNJYPXNHD-QFZRFWILSA-N 0 0 483.638 2.753 40 0 JFABRN Cn1ccc(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)n1 ZINC000257328682 570147050 /nfs/dbraw/zinc/14/70/50/570147050.db2.gz XGRSTGVRLGYTFZ-XMMPIXPASA-N 0 0 474.005 2.539 40 0 JFABRN COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)CCCN4C(=O)CNC4=O)CC3)CO[C@H]21 ZINC000257330606 570147601 /nfs/dbraw/zinc/14/76/01/570147601.db2.gz XPBODWXZZSHZOW-PGRDOPGGSA-N 0 0 485.581 2.885 40 0 JFABRN O=C(C[C@]1(COc2ccccc2)CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1 ZINC000257332635 570148445 /nfs/dbraw/zinc/14/84/45/570148445.db2.gz XYBUPSHTVVQNIJ-XMMPIXPASA-N 0 0 476.570 2.925 40 0 JFABRN Cn1cc(CCC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCOCC3)C2)cn1 ZINC000257334462 570148827 /nfs/dbraw/zinc/14/88/27/570148827.db2.gz YFZJCADWYZSFGW-UGKGYDQZSA-N 0 0 474.989 2.551 40 0 JFABRN Cn1cnc(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)c1 ZINC000257338791 570150053 /nfs/dbraw/zinc/15/00/53/570150053.db2.gz YYZNDDCOZMCTJY-QHCPKHFHSA-N 0 0 460.962 2.624 40 0 JFABRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)NCCc3ccccc3)n2C)cc1 ZINC000409156313 570150759 /nfs/dbraw/zinc/15/07/59/570150759.db2.gz NSJNGEZWQCQMBE-SFHVURJKSA-N 0 0 481.622 2.912 40 0 JFABRN O=C(CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409160799 570152039 /nfs/dbraw/zinc/15/20/39/570152039.db2.gz JBWQPSNMOLOOLS-VXPUYCOJSA-N 0 0 464.503 2.521 40 0 JFABRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2C)cc1 ZINC000409162664 570152413 /nfs/dbraw/zinc/15/24/13/570152413.db2.gz GUDZBKNVPXYMPI-CYBMUJFWSA-N 0 0 460.585 2.649 40 0 JFABRN COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409163675 570152721 /nfs/dbraw/zinc/15/27/21/570152721.db2.gz WCVJCXGSQNBLPI-LSCVHKIXSA-N 0 0 470.459 2.642 40 0 JFABRN COC(=O)c1cccc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)c1 ZINC000409167610 570153729 /nfs/dbraw/zinc/15/37/29/570153729.db2.gz JJAQIGDYZHMUJV-UHFFFAOYSA-N 0 0 453.524 2.615 40 0 JFABRN COc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)c1 ZINC000260730604 570155495 /nfs/dbraw/zinc/15/54/95/570155495.db2.gz JZZBPEWEMMGRSS-LJQANCHMSA-N 0 0 475.611 2.566 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260740953 570155908 /nfs/dbraw/zinc/15/59/08/570155908.db2.gz NDFTYPHAVMRXIK-LJQANCHMSA-N 0 0 492.617 2.689 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260744151 570156131 /nfs/dbraw/zinc/15/61/31/570156131.db2.gz NUQWNGHQRFPXTP-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C)c1 ZINC000260744356 570156242 /nfs/dbraw/zinc/15/62/42/570156242.db2.gz OHQXXAOSNSKKCJ-HXUWFJFHSA-N 0 0 474.627 2.550 40 0 JFABRN Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260757744 570156703 /nfs/dbraw/zinc/15/67/03/570156703.db2.gz RUFHFJYTPOUFSE-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260757906 570156725 /nfs/dbraw/zinc/15/67/25/570156725.db2.gz SHOJFDKGAQUFMJ-QGZVFWFLSA-N 0 0 479.574 2.542 40 0 JFABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)Oc2ccccc21 ZINC000260759387 570156811 /nfs/dbraw/zinc/15/68/11/570156811.db2.gz BBFGKEDNVHEDIB-QGZVFWFLSA-N 0 0 460.537 2.770 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260761070 570156907 /nfs/dbraw/zinc/15/69/07/570156907.db2.gz SLYCPQWATKMLRL-LJQANCHMSA-N 0 0 489.638 2.966 40 0 JFABRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)c1 ZINC000409176276 570156906 /nfs/dbraw/zinc/15/69/06/570156906.db2.gz ZTFQLLSZZUDJFA-KGENOOAVSA-N 0 0 495.557 2.908 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 ZINC000260762126 570156998 /nfs/dbraw/zinc/15/69/98/570156998.db2.gz GOBFAXVJPWYXJQ-GJZGRUSLSA-N 0 0 466.556 2.753 40 0 JFABRN C[C@@H](C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260762149 570157040 /nfs/dbraw/zinc/15/70/40/570157040.db2.gz GSUYXAVOXZKZFW-GOEBONIOSA-N 0 0 481.521 2.667 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC)S(C)(=O)=O ZINC000260762638 570157114 /nfs/dbraw/zinc/15/71/14/570157114.db2.gz QTXJWQFTFNSMMT-MRXNPFEDSA-N 0 0 466.003 2.832 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3cc(OC)ccc3OC)C2)cc1 ZINC000260764552 570157200 /nfs/dbraw/zinc/15/72/00/570157200.db2.gz JYDWTMVTFPACQL-IRXDYDNUSA-N 0 0 462.568 2.991 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260768060 570157456 /nfs/dbraw/zinc/15/74/56/570157456.db2.gz VZIXPFFASFLZSU-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN CCS(=O)(=O)N(CC(=O)N[C@H](C)c1cc(OC)ccc1OC)c1ccc2c(c1)OCCO2 ZINC000260772413 570157646 /nfs/dbraw/zinc/15/76/46/570157646.db2.gz YDRBRMDKPCZREG-OAHLLOKOSA-N 0 0 464.540 2.509 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260776904 570157822 /nfs/dbraw/zinc/15/78/22/570157822.db2.gz YDACRIORLHDLJI-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000260792206 570158119 /nfs/dbraw/zinc/15/81/19/570158119.db2.gz NNIHCPAENGQSPJ-QGZVFWFLSA-N 0 0 493.601 2.932 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000260794949 570158218 /nfs/dbraw/zinc/15/82/18/570158218.db2.gz OGSWFDIJEIXUGM-QGZVFWFLSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3nnc(SC)s3)Oc3ccccc32)cc1 ZINC000260800803 570158588 /nfs/dbraw/zinc/15/85/88/570158588.db2.gz XSLBRUBLINIWTL-MRXNPFEDSA-N 0 0 478.577 2.864 40 0 JFABRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)c1 ZINC000260830706 570159488 /nfs/dbraw/zinc/15/94/88/570159488.db2.gz QGBFNIPQVKBAHF-IBGZPJMESA-N 0 0 493.651 2.902 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)C2)cc1 ZINC000260830696 570159494 /nfs/dbraw/zinc/15/94/94/570159494.db2.gz GVHOSGKBJSGYEN-WMZOPIPTSA-N 0 0 460.552 2.745 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC ZINC000260840525 570160038 /nfs/dbraw/zinc/16/00/38/570160038.db2.gz WCVSBMMUPNYQAX-HUUCEWRRSA-N 0 0 464.540 2.507 40 0 JFABRN Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260852339 570160814 /nfs/dbraw/zinc/16/08/14/570160814.db2.gz FCDDMSUNCKVZLR-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260858160 570161021 /nfs/dbraw/zinc/16/10/21/570161021.db2.gz KZEXKWYHNFSEEZ-OAQYLSRUSA-N 0 0 479.574 2.544 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC)S(C)(=O)=O ZINC000260858318 570161045 /nfs/dbraw/zinc/16/10/45/570161045.db2.gz NNGCJAJQBOKFSB-MRXNPFEDSA-N 0 0 466.003 2.832 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](CC)C(=O)NC)S(C)(=O)=O ZINC000260862974 570161127 /nfs/dbraw/zinc/16/11/27/570161127.db2.gz TWFXDKVKAKAETD-OAQYLSRUSA-N 0 0 475.611 2.577 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000260863276 570161165 /nfs/dbraw/zinc/16/11/65/570161165.db2.gz BOFWJQQSLCRUFM-OALUTQOASA-N 0 0 475.611 2.793 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260876644 570161339 /nfs/dbraw/zinc/16/13/39/570161339.db2.gz MLMKYAJUIULSEH-QGZVFWFLSA-N 0 0 479.574 2.542 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)c2ccc(F)cc2)cc1 ZINC000260888528 570161824 /nfs/dbraw/zinc/16/18/24/570161824.db2.gz BCOZXDXVYNFFAI-FQEVSTJZSA-N 0 0 486.521 2.986 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000260896255 570162299 /nfs/dbraw/zinc/16/22/99/570162299.db2.gz MPIJBRZXLLMNMR-OALUTQOASA-N 0 0 475.611 2.793 40 0 JFABRN Cc1ccc(N([C@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1Cl ZINC000260900020 570162663 /nfs/dbraw/zinc/16/26/63/570162663.db2.gz RTNKCUZIKOPECY-GOSISDBHSA-N 0 0 480.030 2.952 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260905930 570163140 /nfs/dbraw/zinc/16/31/40/570163140.db2.gz PNJNSKUKQQTZKA-GOSISDBHSA-N 0 0 493.601 2.790 40 0 JFABRN CCc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000260912165 570163404 /nfs/dbraw/zinc/16/34/04/570163404.db2.gz AKQZUONNTJKCDB-HZPDHXFCSA-N 0 0 452.598 2.684 40 0 JFABRN CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(OCc2ccccc2)cc1 ZINC000260913013 570163513 /nfs/dbraw/zinc/16/35/13/570163513.db2.gz ZKQHSESURDJOLM-QFIPXVFZSA-N 0 0 482.558 2.988 40 0 JFABRN CC[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000260912633 570163569 /nfs/dbraw/zinc/16/35/69/570163569.db2.gz BGGWRFVMCIKZDX-FOIQADDNSA-N 0 0 468.597 2.521 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000409197665 570164042 /nfs/dbraw/zinc/16/40/42/570164042.db2.gz LPRUHGICBJOFER-UHFFFAOYSA-N 0 0 479.602 2.888 40 0 JFABRN COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1OC ZINC000409198128 570164132 /nfs/dbraw/zinc/16/41/32/570164132.db2.gz XTIWBQSDUCWDAL-UHFFFAOYSA-N 0 0 450.557 2.518 40 0 JFABRN C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000260937241 570165323 /nfs/dbraw/zinc/16/53/23/570165323.db2.gz PSVGIYPRSVXMQL-AUUYWEPGSA-N 0 0 471.000 2.774 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000260938921 570165438 /nfs/dbraw/zinc/16/54/38/570165438.db2.gz ZKHDXYBHNNGKNC-MOPGFXCFSA-N 0 0 487.622 2.987 40 0 JFABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OCC(N)=O ZINC000409201377 570165488 /nfs/dbraw/zinc/16/54/88/570165488.db2.gz MIMADZLQNLNGTP-ODLFYWEKSA-N 0 0 485.518 2.633 40 0 JFABRN Cc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1C ZINC000260943080 570165729 /nfs/dbraw/zinc/16/57/29/570165729.db2.gz SZBBVOGHNQKWFD-SJORKVTESA-N 0 0 452.598 2.739 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000260948255 570165956 /nfs/dbraw/zinc/16/59/56/570165956.db2.gz RGRFHZJQOVNZNF-GOSISDBHSA-N 0 0 493.601 2.790 40 0 JFABRN Cc1cc(C)cc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000260949486 570166026 /nfs/dbraw/zinc/16/60/26/570166026.db2.gz XHNTZRQUPMGMNB-DLBZAZTESA-N 0 0 452.598 2.739 40 0 JFABRN Cc1c(Br)ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)c1C ZINC000409202801 570166052 /nfs/dbraw/zinc/16/60/52/570166052.db2.gz SIUWBRUSORULIB-UHFFFAOYSA-N 0 0 454.394 2.757 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000260980865 570166499 /nfs/dbraw/zinc/16/64/99/570166499.db2.gz NZCUHIMGYVRIPY-PMACEKPBSA-N 0 0 489.638 2.836 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000260989208 570166598 /nfs/dbraw/zinc/16/65/98/570166598.db2.gz PNTYOVPFGFZXNA-GOSISDBHSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000261003388 570166642 /nfs/dbraw/zinc/16/66/42/570166642.db2.gz SBEQCZVMPVFKCB-OALUTQOASA-N 0 0 477.602 2.966 40 0 JFABRN COc1cc(OC)c([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc1OC ZINC000261364293 570168378 /nfs/dbraw/zinc/16/83/78/570168378.db2.gz KMQCAMNOZQDKTA-OAQYLSRUSA-O 0 0 455.516 2.798 40 0 JFABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1OCC(N)=O ZINC000409216657 570172824 /nfs/dbraw/zinc/17/28/24/570172824.db2.gz NKAAGGMFLRRXRO-ODLFYWEKSA-N 0 0 485.518 2.633 40 0 JFABRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc3c(cc2Br)OCO3)C1=O ZINC000409230319 570177621 /nfs/dbraw/zinc/17/76/21/570177621.db2.gz BYOMPMLCQGSMGX-NSIKDUERSA-N 0 0 474.267 2.718 40 0 JFABRN CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OCC ZINC000409253224 570186345 /nfs/dbraw/zinc/18/63/45/570186345.db2.gz ZCQNPBZXKPDICP-LDADJPATSA-N 0 0 497.504 2.567 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000408527702 570186571 /nfs/dbraw/zinc/18/65/71/570186571.db2.gz FKDQSHDDSYFBNS-UHFFFAOYSA-N 0 0 464.515 2.807 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000408535721 570190065 /nfs/dbraw/zinc/19/00/65/570190065.db2.gz WCALOIIOFYXEDM-UHFFFAOYSA-N 0 0 461.559 2.646 40 0 JFABRN Cc1c(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000408547946 570193938 /nfs/dbraw/zinc/19/39/38/570193938.db2.gz OUXUYRUWCICXBN-UHFFFAOYSA-N 0 0 466.922 2.682 40 0 JFABRN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000408555463 570196860 /nfs/dbraw/zinc/19/68/60/570196860.db2.gz XELXBHRSENPNFI-INIZCTEOSA-N 0 0 462.524 2.530 40 0 JFABRN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c(OC)c1 ZINC000408557784 570198485 /nfs/dbraw/zinc/19/84/85/570198485.db2.gz HTWOBHMHSNXMRI-HNNXBMFYSA-N 0 0 464.540 2.760 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000408561406 570201058 /nfs/dbraw/zinc/20/10/58/570201058.db2.gz SAHPCJPPLBBPEM-SFHVURJKSA-N 0 0 491.585 2.592 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000408562075 570201531 /nfs/dbraw/zinc/20/15/31/570201531.db2.gz XQDKIFXCSMXYIK-FQEVSTJZSA-N 0 0 487.622 2.843 40 0 JFABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc(C(=O)OC)c1 ZINC000408581810 570206806 /nfs/dbraw/zinc/20/68/06/570206806.db2.gz ALNATEJAFPKQFR-UHFFFAOYSA-N 0 0 462.524 2.755 40 0 JFABRN O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408582310 570206962 /nfs/dbraw/zinc/20/69/62/570206962.db2.gz WJTBIHFCZIQTAN-SFHVURJKSA-N 0 0 484.984 2.784 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000408590031 570208943 /nfs/dbraw/zinc/20/89/43/570208943.db2.gz GTSZSFMCYQSQLE-QFIPXVFZSA-N 0 0 458.580 2.686 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)CC1 ZINC000408590620 570209050 /nfs/dbraw/zinc/20/90/50/570209050.db2.gz KARLQYNFFOPIJO-INIZCTEOSA-N 0 0 472.991 2.551 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000408590963 570209140 /nfs/dbraw/zinc/20/91/40/570209140.db2.gz IEYDLFLWQDGNSP-AWEZNQCLSA-N 0 0 455.939 2.503 40 0 JFABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408592140 570209346 /nfs/dbraw/zinc/20/93/46/570209346.db2.gz KFTHULXRXLZQPH-KRZKXXONSA-N 0 0 492.439 2.974 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000408592725 570209517 /nfs/dbraw/zinc/20/95/17/570209517.db2.gz LMKGLBHTYLYTSX-HNNXBMFYSA-N 0 0 492.550 2.538 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C ZINC000408592818 570209559 /nfs/dbraw/zinc/20/95/59/570209559.db2.gz LYYDYTJBGDVOHU-JRMCHAMMSA-N 0 0 457.596 2.528 40 0 JFABRN CCCn1cnc2c1CN(S(=O)(=O)c1cccc3c1cccc3N(C)C)[C@H](C(=O)OC)C2 ZINC000012530318 291482916 /nfs/dbraw/zinc/48/29/16/291482916.db2.gz HKWHYTWLKSMZSH-FQEVSTJZSA-N 0 0 456.568 2.801 40 0 biogenic,in-vitro JFABRN CCOC(=O)Cn1nnnc1CN(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000926233 193978418 /nfs/dbraw/zinc/97/84/18/193978418.db2.gz HTDTWWDQZOYOHA-UHFFFAOYSA-N 0 0 452.540 2.650 40 0 JFABRN O=C(CSc1nnc(COc2cccc3cccnc32)o1)N1CCN(C(=O)c2ccco2)CC1 ZINC000001223339 194075264 /nfs/dbraw/zinc/07/52/64/194075264.db2.gz LGTIOEMJQRTMER-UHFFFAOYSA-N 0 0 479.518 2.867 40 0 JFABRN CC(C)NC(=O)Cn1c2ccccc2n2c(SCC(=O)N3CCc4ccccc4C3)nnc12 ZINC000001325943 194087034 /nfs/dbraw/zinc/08/70/34/194087034.db2.gz LBMYZEKPCXPMSI-UHFFFAOYSA-N 0 0 462.579 2.886 40 0 JFABRN COc1ccc2cc(CN(C[C@H]3COCCO3)S(=O)(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000001335387 194094229 /nfs/dbraw/zinc/09/42/29/194094229.db2.gz VYVSBYCLGZHFLI-IBGZPJMESA-N 0 0 478.954 2.796 40 0 JFABRN O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000001339745 194097272 /nfs/dbraw/zinc/09/72/72/194097272.db2.gz YADQDNJIBZRMOM-UHFFFAOYSA-N 0 0 475.484 2.673 40 0 JFABRN C[C@@H]1CCc2c(sc3ncnc(N4CCN(S(=O)(=O)c5cccc6nonc65)CC4)c23)C1 ZINC000001372062 194105830 /nfs/dbraw/zinc/10/58/30/194105830.db2.gz RLMSQLNNQDGQAT-CYBMUJFWSA-N 0 0 470.580 2.863 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C[C@@H]1CCCO1)C1CCCCC1)OCCO3 ZINC000001373831 194107846 /nfs/dbraw/zinc/10/78/46/194107846.db2.gz ARQOKKPBGCYNQJ-FQEVSTJZSA-N 0 0 480.569 2.800 40 0 JFABRN Cc1ccc2c(c1)cc(CN(Cc1ccc3c(c1)OCO3)C(=O)N1CCOCC1)c1nnnn12 ZINC000001376974 194111790 /nfs/dbraw/zinc/11/17/90/194111790.db2.gz FZKLXYTYYAVWML-UHFFFAOYSA-N 0 0 460.494 2.769 40 0 JFABRN Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4ccccc4F)[C@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@]2(C)O4)no1 ZINC000001380921 194113100 /nfs/dbraw/zinc/11/31/00/194113100.db2.gz UGZBXOLTQWMBEM-QFCPRUNTSA-N 0 0 496.539 2.716 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000001466950 194124798 /nfs/dbraw/zinc/12/47/98/194124798.db2.gz MRPDZLSJQJKXOG-CNSVBDKNSA-N 0 0 480.517 2.724 40 0 JFABRN COC(=O)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000001467096 194124837 /nfs/dbraw/zinc/12/48/37/194124837.db2.gz PUJIJOWBYWBBQD-FNGUVFISSA-N 0 0 494.594 2.917 40 0 JFABRN COC(=O)C(=O)[C@@]1(C2=Nc3nnc(NC(=O)Nc4ccc(Cl)cc4)n3C2=O)CCCCCC1=O ZINC000001592549 194128955 /nfs/dbraw/zinc/12/89/55/194128955.db2.gz UFEXCFURTZFYPW-NRFANRHFSA-N 0 0 486.872 2.564 40 0 JFABRN COc1ccc(C(=O)Cc2nc3nnc(NC(=O)Nc4ccc(Cl)cc4)n3[nH]c2=O)cc1 ZINC000001592554 194128997 /nfs/dbraw/zinc/12/89/97/194128997.db2.gz DCNVWHAPGQVDKJ-UHFFFAOYSA-N 0 0 453.846 2.544 40 0 JFABRN CCOC(=O)C1=C2c3ccccc3N[C@@H]2N(C(=O)OCC)N(C(=O)OCC)[C@@H]1C(=O)OCC ZINC000001709038 194131870 /nfs/dbraw/zinc/13/18/70/194131870.db2.gz UYHFUNJCLNLAEO-ZWKOTPCHSA-N 0 0 461.471 2.532 40 0 JFABRN COCCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1=O ZINC000003841343 194363233 /nfs/dbraw/zinc/36/32/33/194363233.db2.gz DZXQJTUZFPERLX-LSDHHAIUSA-N 0 0 499.511 2.650 40 0 biogenic,in-vitro JFABRN C1CC[C@@H]2OCCOCCOCCO[C@H]3CCCC[C@H]3OCCOCCOCCO[C@@H]2C1 ZINC000003861616 194364963 /nfs/dbraw/zinc/36/49/63/194364963.db2.gz QMLGNDFKJAFKGZ-WAPCQROESA-N 0 0 460.608 2.755 40 0 JFABRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004091991 194376830 /nfs/dbraw/zinc/37/68/30/194376830.db2.gz DHMXCBJBWFRHFB-GOSISDBHSA-N 0 0 481.615 2.900 40 0 aggregator JFABRN C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(=O)N3CCOCC3)c3nc(NC(=O)C4CCC4)sc3C[C@H]12 ZINC000004222457 194385048 /nfs/dbraw/zinc/38/50/48/194385048.db2.gz ZULDMMKFWKPNSH-LDWUQXNOSA-N 0 0 491.654 2.546 40 0 biogenic,in-vitro JFABRN O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000004259684 194386479 /nfs/dbraw/zinc/38/64/79/194386479.db2.gz PFYWRPZRZAWGSS-WNRNVDISSA-N 0 0 461.400 2.622 40 0 biogenic,in-vitro JFABRN CC(C)NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C[C@H]1CCCO1 ZINC000004410121 194389398 /nfs/dbraw/zinc/38/93/98/194389398.db2.gz SCTWHCCATXAQIK-GOSISDBHSA-N 0 0 493.655 2.525 40 0 JFABRN Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000004411390 194389562 /nfs/dbraw/zinc/38/95/62/194389562.db2.gz WNSBLEIZGDYXMW-PGUFJCEWSA-N 0 0 499.589 2.503 40 0 JFABRN Cc1ccc(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccc(N(C)C)cc3)n2)cc1 ZINC000005397842 194405598 /nfs/dbraw/zinc/40/55/98/194405598.db2.gz IZNCXNYJQZHNAQ-CJRSTVEYSA-N 0 0 459.550 2.895 40 0 biogenic,in-vitro JFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@H](C)C(=O)NCCC(C)C)n2)cc1OC ZINC000006134038 194412996 /nfs/dbraw/zinc/41/29/96/194412996.db2.gz YVWTWDIJVURTHG-LJQANCHMSA-N 0 0 494.596 2.937 40 0 JFABRN CCC[C@@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC ZINC000006501183 194429514 /nfs/dbraw/zinc/42/95/14/194429514.db2.gz UFJGFMNEFLNWLG-INIZCTEOSA-N 0 0 491.614 2.819 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(O)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1 ZINC000008995066 194500088 /nfs/dbraw/zinc/50/00/88/194500088.db2.gz MTEABHHEGQGUMR-XMMPIXPASA-N 0 0 480.521 2.632 40 0 JFABRN Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC(C)(C)C)c2ccc3c(c2)OCCO3)c1 ZINC000008995329 194500664 /nfs/dbraw/zinc/50/06/64/194500664.db2.gz IDGDYODQTFXZOG-UHFFFAOYSA-N 0 0 454.527 2.828 40 0 JFABRN COc1cccc(C(=O)[C@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)c1 ZINC000009423428 194765764 /nfs/dbraw/zinc/76/57/64/194765764.db2.gz GUNZDWGYZPJSTE-HCSYDALLSA-N 0 0 458.514 2.942 40 0 JFABRN COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=S)NC3CCCCC3)n2)cc1 ZINC000012604552 195049611 /nfs/dbraw/zinc/04/96/11/195049611.db2.gz QTGXIOUJUJEQSL-FNAHDJPLSA-N 0 0 469.611 2.896 40 0 biogenic,in-vitro JFABRN O=C(NC1CCCC1)C(=O)N(c1ccccc1F)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccco1 ZINC000012640898 195070427 /nfs/dbraw/zinc/07/04/27/195070427.db2.gz WVGLQOXBIPGWJD-UWJYYQICSA-N 0 0 457.502 2.847 40 0 JFABRN O=C(NC1CCCCC1)C(=O)N(C[C@@H]1CCCO1)[C@H](C(=O)NCc1ccco1)c1ccco1 ZINC000012641350 195071024 /nfs/dbraw/zinc/07/10/24/195071024.db2.gz YORKSPJQSWYEEG-FPOVZHCZSA-N 0 0 457.527 2.687 40 0 JFABRN CC(C)(C)NC(=O)[C@H]1N(Cc2cccs2)C(=O)[C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)[C@H]3C=C[C@]21O3 ZINC000012642894 195072211 /nfs/dbraw/zinc/07/22/11/195072211.db2.gz CLJFBGWDFWTDFS-HTCWXMLHSA-N 0 0 497.592 2.769 40 0 JFABRN COc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000012685888 195085985 /nfs/dbraw/zinc/08/59/85/195085985.db2.gz HUQPKIUSAKXMDT-CQSZACIVSA-N 0 0 454.932 2.776 40 0 JFABRN COc1cccc(OC)c1N(CC(=O)NC1CCCCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000012705109 195092436 /nfs/dbraw/zinc/09/24/36/195092436.db2.gz CZUJMUOILREBJQ-UHFFFAOYSA-N 0 0 496.543 2.979 40 0 JFABRN C[C@H](C(=O)NCc1ccccc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(Cl)cc1 ZINC000012705724 195092656 /nfs/dbraw/zinc/09/26/56/195092656.db2.gz XKXHELIEDIBFHX-GFCCVEGCSA-N 0 0 457.943 2.829 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000012708676 195093921 /nfs/dbraw/zinc/09/39/21/195093921.db2.gz AGGASFJSLBCQIJ-FTDQSSOUSA-N 0 0 467.607 2.977 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1 ZINC000012716287 195097128 /nfs/dbraw/zinc/09/71/28/195097128.db2.gz NSLWGBOVONDCQP-LAUBAEHRSA-N 0 0 484.557 2.807 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1 ZINC000012716385 195097199 /nfs/dbraw/zinc/09/71/99/195097199.db2.gz BLAWEQSJRGBSQF-UZLBHIALSA-N 0 0 486.598 2.967 40 0 JFABRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012727533 195097831 /nfs/dbraw/zinc/09/78/31/195097831.db2.gz NYXUXNSFFGVNMQ-YYWHXJBOSA-N 0 0 467.584 2.868 40 0 JFABRN O=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000012881170 195168644 /nfs/dbraw/zinc/16/86/44/195168644.db2.gz LQAHFKYUSGNKHX-UHFFFAOYSA-N 0 0 474.542 2.879 40 0 JFABRN Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 ZINC000020674104 195199028 /nfs/dbraw/zinc/19/90/28/195199028.db2.gz QUVGPILAUHLEPG-SFHVURJKSA-N 0 0 460.494 2.752 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(OC)c(O)c1 ZINC000020801967 195227404 /nfs/dbraw/zinc/22/74/04/195227404.db2.gz OKGVVPBHHGBYLC-SFTDATJTSA-N 0 0 453.495 2.902 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(O)c(OCC)c1 ZINC000020802103 195227410 /nfs/dbraw/zinc/22/74/10/195227410.db2.gz OVXJJMOCNKFMHC-RTWAWAEBSA-N 0 0 453.495 2.902 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000020802478 195227677 /nfs/dbraw/zinc/22/76/77/195227677.db2.gz SPFVEYPNDKNLKE-YADHBBJMSA-N 0 0 483.521 2.824 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000020802476 195227709 /nfs/dbraw/zinc/22/77/09/195227709.db2.gz SPFVEYPNDKNLKE-FCHUYYIVSA-N 0 0 483.521 2.824 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000020802505 195227730 /nfs/dbraw/zinc/22/77/30/195227730.db2.gz VNWLMACCFMIOPO-PMACEKPBSA-N 0 0 469.494 2.521 40 0 JFABRN O=S(=O)(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1 ZINC000020768573 195223397 /nfs/dbraw/zinc/22/33/97/195223397.db2.gz USTSPGHVMVGHQL-UHFFFAOYSA-N 0 0 459.387 2.712 40 0 JFABRN CCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000020768643 195223551 /nfs/dbraw/zinc/22/35/51/195223551.db2.gz FCEXDDJLEMXRPK-UHFFFAOYSA-N 0 0 467.569 2.518 40 0 JFABRN CCOc1ccc(CCNC(=O)Cn2ncn3c(cc4cc(F)ccc43)c2=O)cc1OCC ZINC000020862926 195233932 /nfs/dbraw/zinc/23/39/32/195233932.db2.gz RTRXIXSHUUNFNY-UHFFFAOYSA-N 0 0 452.486 2.945 40 0 JFABRN CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000020973754 195258142 /nfs/dbraw/zinc/25/81/42/195258142.db2.gz XNSXLBBRMXUKCP-UHFFFAOYSA-N 0 0 454.552 2.847 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@H]3CCCO3)Cc3cccnc3)cc2c1 ZINC000057607951 195353058 /nfs/dbraw/zinc/35/30/58/195353058.db2.gz AOLLWHGXWPTDEM-JOCHJYFZSA-N 0 0 475.553 2.690 40 0 JFABRN CC[C@H](c1nnnn1C1CCCC1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641328 195355484 /nfs/dbraw/zinc/35/54/84/195355484.db2.gz VKNZMVNKWCGSIE-HXUWFJFHSA-N 0 0 468.558 2.737 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1Cc1ccc(F)cc1)C[C@H]1CCCO1)OCO3 ZINC000057643326 195356941 /nfs/dbraw/zinc/35/69/41/195356941.db2.gz GRQHOAHYSUOROY-HXUWFJFHSA-N 0 0 492.511 2.612 40 0 JFABRN CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000057730043 195358727 /nfs/dbraw/zinc/35/87/27/195358727.db2.gz TVEZNPXUPGPQMO-UHFFFAOYSA-N 0 0 466.567 2.738 40 0 JFABRN CCc1nn(CC(=O)N[C@H](CC)Cn2nc(-c3cccs3)ccc2=O)c(=O)c2ccccc12 ZINC000057730752 195358977 /nfs/dbraw/zinc/35/89/77/195358977.db2.gz WAPVSQQJWZYSCP-MRXNPFEDSA-N 0 0 463.563 2.839 40 0 JFABRN Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 ZINC000057774211 195359939 /nfs/dbraw/zinc/35/99/39/195359939.db2.gz OVNLMYHFKVVTKQ-UHFFFAOYSA-N 0 0 468.579 2.687 40 0 JFABRN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=S)NC(=O)C(C)C)c1 ZINC000021577379 195315757 /nfs/dbraw/zinc/31/57/57/195315757.db2.gz VBZXKEKZLXIFNU-UHFFFAOYSA-N 0 0 468.579 2.905 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224858795 195469010 /nfs/dbraw/zinc/46/90/10/195469010.db2.gz JEJOTDMAZGQZCV-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224859579 195469021 /nfs/dbraw/zinc/46/90/21/195469021.db2.gz LMTWKZHMUMRJOL-MRXNPFEDSA-N 0 0 467.538 2.674 40 0 JFABRN COc1cccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)c4cccs4)CC3)O2)c1 ZINC000096036668 129955513 /nfs/dbraw/zinc/95/55/13/129955513.db2.gz BLUSCMKTCCEVPH-IBGZPJMESA-N 0 0 466.563 2.800 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000013504492 518161428 /nfs/dbraw/zinc/16/14/28/518161428.db2.gz YJPBRNWFTRFFRD-ZJSXRUAMSA-N 0 0 464.570 2.781 40 0 JFABRN CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NS(=O)(=O)c4ccc(Cl)cc4)CO[C@H]23)cc1 ZINC000004235833 518373611 /nfs/dbraw/zinc/37/36/11/518373611.db2.gz HUQQXUREFIAANX-MTQWCTHYSA-N 0 0 480.926 2.604 40 0 biogenic,in-vitro JFABRN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccccc2CN2CCOCC2)c1=O ZINC000020503627 519711020 /nfs/dbraw/zinc/71/10/20/519711020.db2.gz MRLOHELIPFPPSA-PZJWPPBQSA-N 0 0 450.583 2.885 40 0 biogenic,in-vitro JFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CC[NH+]3CCCCC3)C2)cc1 ZINC000020463100 519731104 /nfs/dbraw/zinc/73/11/04/519731104.db2.gz MKTNJDNLRXTHPA-OALUTQOASA-N 0 0 451.589 2.623 40 0 biogenic,in-vitro JFABRN CC(=O)Oc1ccc([C@@H]2c3cc(OC(C)=O)c(OC(C)=O)cc3C[C@H]3C(=O)OC[C@@H]32)cc1OC(C)=O ZINC000004404418 519759664 /nfs/dbraw/zinc/75/96/64/519759664.db2.gz DNMNGEFEECGXMP-OHUGHZGNSA-N 0 0 496.468 2.865 40 0 JFABRN CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NS(=O)(=O)c4cccs4)CO[C@H]23)cc1 ZINC000004235723 519837621 /nfs/dbraw/zinc/83/76/21/519837621.db2.gz YIDGVDILAABKJU-QFHJOOASSA-N 0 0 452.554 2.933 40 0 biogenic,in-vitro JFABRN CCN(CC(=O)Nc1ccc(I)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000033645810 520360942 /nfs/dbraw/zinc/36/09/42/520360942.db2.gz IAXFYKQVYJRLNQ-UHFFFAOYSA-N 0 0 474.320 2.949 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000016682419 520482671 /nfs/dbraw/zinc/48/26/71/520482671.db2.gz ONJKAAPXYSBORD-SRKIZSPNSA-N 0 0 468.506 2.652 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1cccs1 ZINC000002697566 520490711 /nfs/dbraw/zinc/49/07/11/520490711.db2.gz PNANHSFSNKRTSS-MUMAZLPKSA-N 0 0 456.545 2.574 40 0 JFABRN CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@]12c1ccccc1NC2=O ZINC000016779516 520532244 /nfs/dbraw/zinc/53/22/44/520532244.db2.gz LYVKZBQTDUPCPZ-SANMLTNESA-N 0 0 457.486 2.569 40 0 JFABRN CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C)cc2Cl)CC(=O)N3)CC1 ZINC000038828351 520587539 /nfs/dbraw/zinc/58/75/39/520587539.db2.gz HIQQOYSPRAKPSP-AWEZNQCLSA-N 0 0 487.944 2.576 40 0 JFABRN CC1(C)O[C@]2(C[C@@H]1[C@]1(C)C=CC(=O)O1)C[C@]1(O)[C@H](CC[C@]34C[C@@]31C(=O)O[C@@H]4c1ccoc1)O2 ZINC000005493366 520614314 /nfs/dbraw/zinc/61/43/14/520614314.db2.gz CJJZZJATCPPMMW-IEPPGZQQSA-N 0 0 456.491 2.951 40 0 JFABRN CCOC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013505713 520719656 /nfs/dbraw/zinc/71/96/56/520719656.db2.gz CHZYUESMUPFWHT-XMMPIXPASA-N 0 0 484.553 2.894 40 0 JFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC ZINC000013581337 520781225 /nfs/dbraw/zinc/78/12/25/520781225.db2.gz YHMQWRIFNPKUPP-UHFFFAOYSA-N 0 0 450.557 2.715 40 0 JFABRN CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)CC(=O)N3)CC1 ZINC000022610208 521048846 /nfs/dbraw/zinc/04/88/46/521048846.db2.gz KRNTZOHKFDHQCY-AWEZNQCLSA-N 0 0 465.432 2.969 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C ZINC000016692178 521184808 /nfs/dbraw/zinc/18/48/08/521184808.db2.gz OKFUIDWUTICVMA-DHZHZOJOSA-N 0 0 471.623 2.872 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1C ZINC000020015142 521185684 /nfs/dbraw/zinc/18/56/84/521185684.db2.gz LATWWVUCSCHSGJ-INIZCTEOSA-N 0 0 450.557 2.909 40 0 JFABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccncc2)n1N ZINC000027546069 521389362 /nfs/dbraw/zinc/38/93/62/521389362.db2.gz ZISCVFGYXASGPS-UHFFFAOYSA-N 0 0 460.541 2.534 40 0 JFABRN CCN(c1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1)S(C)(=O)=O ZINC000019937788 521490994 /nfs/dbraw/zinc/49/09/94/521490994.db2.gz UAONBUGQIWQNJT-UHFFFAOYSA-N 0 0 451.976 2.854 40 0 JFABRN CCOc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1 ZINC000013501954 521512726 /nfs/dbraw/zinc/51/27/26/521512726.db2.gz AEHTYQQHWCPTIR-INIZCTEOSA-N 0 0 460.556 2.589 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@H]2C(=O)N2[C@H]4[C@H](C)C(=O)C[C@@H]2c2ccco2)c1 ZINC000008764747 521544469 /nfs/dbraw/zinc/54/44/69/521544469.db2.gz NSUJNRIEBKWESB-STCARQLVSA-N 0 0 490.512 2.896 40 0 JFABRN CCOC(=O)c1cccc(S(=O)(=O)N(CCCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 ZINC000006195214 521547412 /nfs/dbraw/zinc/54/74/12/521547412.db2.gz QSTWPLJQQLHBOP-UHFFFAOYSA-N 0 0 472.563 2.895 40 0 JFABRN CC[C@@H](C(=O)NCc1ccc(F)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000012472669 521852022 /nfs/dbraw/zinc/85/20/22/521852022.db2.gz IYJPFPINJHMFQR-HNNXBMFYSA-N 0 0 475.571 2.762 40 0 JFABRN COC(=O)c1cc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)ccc1Cl ZINC000020452209 521888145 /nfs/dbraw/zinc/88/81/45/521888145.db2.gz BJVDMDRRMFWVDK-UHFFFAOYSA-N 0 0 452.916 2.541 40 0 JFABRN COC(=O)c1cc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc(C(=O)OC)c1 ZINC000020451045 521888508 /nfs/dbraw/zinc/88/85/08/521888508.db2.gz HAPYLRDYRUITHJ-UHFFFAOYSA-N 0 0 474.535 2.828 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000019568168 522157487 /nfs/dbraw/zinc/15/74/87/522157487.db2.gz HOWDXGBVUQNRPY-DEOSSOPVSA-N 0 0 473.581 2.689 40 0 JFABRN COc1cc([C@H](c2nnnn2C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc(OC)c1OC ZINC000013503934 522952222 /nfs/dbraw/zinc/95/22/22/522952222.db2.gz RZMHGPQGLZQKTI-JOCHJYFZSA-N 0 0 496.568 2.954 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@@H](C)C(=O)NC(C)(C)C)n2)cc1OC ZINC000012476432 523269700 /nfs/dbraw/zinc/26/97/00/523269700.db2.gz ICZOGBQFWFYODX-KRWDZBQOSA-N 0 0 480.569 2.689 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C)C(=O)NCCC(C)C)n2)cc1OC ZINC000006134364 523269962 /nfs/dbraw/zinc/26/99/62/523269962.db2.gz DTVURYLUJOSUIE-KRWDZBQOSA-N 0 0 496.568 2.647 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC(C)(C)C)c1ccc(OC)cc1 ZINC000012492527 523532698 /nfs/dbraw/zinc/53/26/98/523532698.db2.gz CUBRWLIJVQASRA-QFIPXVFZSA-N 0 0 474.558 2.841 40 0 JFABRN COc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000016227624 523646218 /nfs/dbraw/zinc/64/62/18/523646218.db2.gz RESULJYMHAHJJY-JXMROGBWSA-N 0 0 469.607 2.951 40 0 JFABRN CC[C@H](C(=O)NCc1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 ZINC000012472583 523786412 /nfs/dbraw/zinc/78/64/12/523786412.db2.gz BQJSJOWNCRHJEX-QGZVFWFLSA-N 0 0 485.541 2.714 40 0 JFABRN COCCNC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)cc(C)c1 ZINC000013509375 523912282 /nfs/dbraw/zinc/91/22/82/523912282.db2.gz LSNKNKSWXNZUQY-RUZDIDTESA-N 0 0 472.549 2.980 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1 ZINC000012467439 523918335 /nfs/dbraw/zinc/91/83/35/523918335.db2.gz UFGWSPVDQMRJLT-FQEVSTJZSA-N 0 0 499.593 3.000 40 0 JFABRN COCCNC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(C)c1 ZINC000013509369 523919155 /nfs/dbraw/zinc/91/91/55/523919155.db2.gz XBCBXASZBRAPPY-VWLOTQADSA-N 0 0 472.549 2.980 40 0 JFABRN COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013508458 523919319 /nfs/dbraw/zinc/91/93/19/523919319.db2.gz FSXQVXSOHSYJQL-QFIPXVFZSA-N 0 0 451.458 2.701 40 0 JFABRN CC[C@H](C)NC(=O)CSc1nnc2n1c1ccc(Cl)cc1c(=O)n2CCC(=O)NC(C)C ZINC000033292137 523975635 /nfs/dbraw/zinc/97/56/35/523975635.db2.gz UHIWBAIAXXRWLD-ZDUSSCGKSA-N 0 0 479.006 2.619 40 0 JFABRN COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(S(C)(=O)=O)cc3)n2)cn1 ZINC000035425478 524041678 /nfs/dbraw/zinc/04/16/78/524041678.db2.gz UMZIWGUYXKVPHV-IBGZPJMESA-N 0 0 458.540 2.897 40 0 biogenic,in-vitro JFABRN COc1ccc(CNC(=O)CN(Cc2ccco2)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013501644 524049677 /nfs/dbraw/zinc/04/96/77/524049677.db2.gz ZPNZIZPPUJHEJV-UHFFFAOYSA-N 0 0 456.524 2.809 40 0 JFABRN Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(F)cc4)CC2)[nH]c3=O)c1 ZINC000006161762 524114849 /nfs/dbraw/zinc/11/48/49/524114849.db2.gz DNEQZRDZFGSUHF-UHFFFAOYSA-N 0 0 496.568 2.887 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)N2CCCCC2)cc1 ZINC000006239859 524268880 /nfs/dbraw/zinc/26/88/80/524268880.db2.gz SSIWZSDBTYHQQF-QHCPKHFHSA-N 0 0 474.521 2.876 40 0 JFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NCc2ccccc2)c1C ZINC000012472667 524510722 /nfs/dbraw/zinc/51/07/22/524510722.db2.gz DMAJUWYAWLPWGJ-HNNXBMFYSA-N 0 0 451.552 2.793 40 0 JFABRN COc1ccccc1N(CC(=O)NCc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1nccs1 ZINC000013502004 524529655 /nfs/dbraw/zinc/52/96/55/524529655.db2.gz BOIZQYWTFSWZMA-UHFFFAOYSA-N 0 0 496.545 2.949 40 0 JFABRN COc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 ZINC000044840239 524966264 /nfs/dbraw/zinc/96/62/64/524966264.db2.gz NOWPMEOKSXWEBP-QGZVFWFLSA-N 0 0 464.559 2.960 40 0 JFABRN Cc1cc(I)ccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020245277 525011537 /nfs/dbraw/zinc/01/15/37/525011537.db2.gz NIFCRPFMLFRCQW-UHFFFAOYSA-N 0 0 491.326 2.990 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)CC2)cc1 ZINC000006161799 525021706 /nfs/dbraw/zinc/02/17/06/525021706.db2.gz VFDNSNCWMBAKRX-UHFFFAOYSA-N 0 0 498.540 2.691 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 ZINC000020457374 525041816 /nfs/dbraw/zinc/04/18/16/525041816.db2.gz IPKVQMZWFHWVCQ-HNNXBMFYSA-N 0 0 496.607 2.853 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000020481253 525054051 /nfs/dbraw/zinc/05/40/51/525054051.db2.gz VDSYFAJBZDUQKX-UHFFFAOYSA-N 0 0 475.976 2.659 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC ZINC000020452678 525131723 /nfs/dbraw/zinc/13/17/23/525131723.db2.gz ZAWYCPFYQNTAIP-OAHLLOKOSA-N 0 0 464.540 2.856 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1ccc(Br)cc1 ZINC000020492907 525152205 /nfs/dbraw/zinc/15/22/05/525152205.db2.gz LXNORKOROKPIFN-UHFFFAOYSA-N 0 0 463.357 2.717 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1 ZINC000013504475 525214983 /nfs/dbraw/zinc/21/49/83/525214983.db2.gz WEWILQSQNHJVCR-URXFXBBRSA-N 0 0 482.560 2.920 40 0 JFABRN C[C@@H]1OC[C@H]2O[C@@H](C)O[C@@H](C(C3C(=O)CC(C)(C)CC3=O)C3C(=O)CC(C)(C)CC3=O)[C@@H]2O1 ZINC000005479597 525604895 /nfs/dbraw/zinc/60/48/95/525604895.db2.gz VYFXIITZEXVDOU-FIVGZEDJSA-N 0 0 464.555 2.643 40 0 JFABRN Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccc(F)cc2)C[C@@H]2CCCO2)c1 ZINC000013503690 525677464 /nfs/dbraw/zinc/67/74/64/525677464.db2.gz HKTGRXSUDITNJX-FQEVSTJZSA-N 0 0 456.518 2.572 40 0 JFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1OC ZINC000013565538 526078270 /nfs/dbraw/zinc/07/82/70/526078270.db2.gz XJIHQXPKPWTUMJ-NRFANRHFSA-N 0 0 487.984 2.825 40 0 JFABRN Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCOCC1 ZINC000016142168 526169362 /nfs/dbraw/zinc/16/93/62/526169362.db2.gz WEPPLESVRGKCCW-UHFFFAOYSA-N 0 0 454.548 2.978 40 0 JFABRN Cc1ccc2c(cccc2N(CC(=O)NCc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)n1 ZINC000012467084 526223237 /nfs/dbraw/zinc/22/32/37/526223237.db2.gz QEVGLPIKGOJWGN-UHFFFAOYSA-N 0 0 492.536 2.783 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCc1ccccc1)Cc1ccc2c(c1)OCO2)Nc1nccs1 ZINC000013501618 526375954 /nfs/dbraw/zinc/37/59/54/526375954.db2.gz JFNJFBVYZCRNLS-UHFFFAOYSA-N 0 0 480.546 2.936 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCc1ccco1)c1ccc2c(c1)OCO2)Nc1nccs1 ZINC000013501986 526376474 /nfs/dbraw/zinc/37/64/74/526376474.db2.gz VCALPDXSPLOAOY-UHFFFAOYSA-N 0 0 456.480 2.533 40 0 JFABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020453300 526521277 /nfs/dbraw/zinc/52/12/77/526521277.db2.gz ZBPOIJMRNHPYLG-FQEVSTJZSA-N 0 0 471.579 2.773 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000016524980 526555928 /nfs/dbraw/zinc/55/59/28/526555928.db2.gz LOUGWBHIBWYNAS-WOJBJXKFSA-N 0 0 460.486 2.826 40 0 JFABRN O=C(NCc1ccccn1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000022510588 526761331 /nfs/dbraw/zinc/76/13/31/526761331.db2.gz CBKFDHDVTJWNBU-UHFFFAOYSA-N 0 0 452.374 2.702 40 0 JFABRN O=C(NCc1ccccn1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000022517718 526761473 /nfs/dbraw/zinc/76/14/73/526761473.db2.gz MHQVMGNQVCZTGG-UHFFFAOYSA-N 0 0 452.374 2.702 40 0 JFABRN O=C(NCc1cccnc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000022524251 526766038 /nfs/dbraw/zinc/76/60/38/526766038.db2.gz LTENSRKCDPNIIP-UHFFFAOYSA-N 0 0 452.374 2.702 40 0 JFABRN O=C(c1ccco1)N1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2ccc(Cl)cc2)CC1 ZINC000019342056 526831137 /nfs/dbraw/zinc/83/11/37/526831137.db2.gz VBONLWFLPLCHLW-ICSRJNTNSA-N 0 0 456.934 2.646 40 0 JFABRN O=C(CSc1nnc(-c2ccncc2)n1CC(=O)Nc1ccc2c(c1)OCO2)NC1CCCC1 ZINC000004354098 527081976 /nfs/dbraw/zinc/08/19/76/527081976.db2.gz WWKLRPVJFDHZRA-UHFFFAOYSA-N 0 0 480.550 2.858 40 0 JFABRN NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(O)cc2)c1N ZINC000012474271 527105346 /nfs/dbraw/zinc/10/53/46/527105346.db2.gz IQNQRZNYTDLSAZ-IBGZPJMESA-N 0 0 483.550 2.565 40 0 JFABRN NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(O)cc2)c1N ZINC000012474265 527105830 /nfs/dbraw/zinc/10/58/30/527105830.db2.gz IQNQRZNYTDLSAZ-LJQANCHMSA-N 0 0 483.550 2.565 40 0 JFABRN O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCC1)C1CCCCC1)Nc1ccc(F)cc1 ZINC000004399789 527188941 /nfs/dbraw/zinc/18/89/41/527188941.db2.gz RECBXVVQGFCOFQ-YTTGMZPUSA-N 0 0 465.591 2.733 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1)c1ccco1 ZINC000012490877 527254846 /nfs/dbraw/zinc/25/48/46/527254846.db2.gz XATNLINOXUSBAX-UHFFFAOYSA-N 0 0 457.508 2.842 40 0 JFABRN O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccccc1 ZINC000006161940 527286996 /nfs/dbraw/zinc/28/69/96/527286996.db2.gz SMVVBLBIFSEKDC-KRWDZBQOSA-N 0 0 450.524 2.544 40 0 JFABRN O=C(Nc1cccc2ccccc21)O[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3cccs3)CO[C@H]12 ZINC000004235444 527383037 /nfs/dbraw/zinc/38/30/37/527383037.db2.gz KHSHOXFMVPRQGP-ONCXSQPRSA-N 0 0 460.533 2.963 40 0 biogenic,in-vitro JFABRN O=C(Nc1cccc2ccccc21)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1-c1ccc2c(c1)OCO2 ZINC000004270571 527383185 /nfs/dbraw/zinc/38/31/85/527383185.db2.gz ZQNQGPGSGUNNJF-BZRIBIQUSA-N 0 0 486.488 2.751 40 0 biogenic,in-vitro JFABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCc2ccccc21)OCCO3 ZINC000006446897 527442778 /nfs/dbraw/zinc/44/27/78/527442778.db2.gz KOLPYRUOCBEJDL-MHECFPHRSA-N 0 0 486.532 2.617 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCc1ccccc1)Cc1nnnn1C[C@@H]1CCCO1)OCO3 ZINC000020109425 527443586 /nfs/dbraw/zinc/44/35/86/527443586.db2.gz ZVJVNSZHSNKLLR-NRFANRHFSA-N 0 0 488.548 2.667 40 0 JFABRN O=C([O-])C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012480838 527630698 /nfs/dbraw/zinc/63/06/98/527630698.db2.gz JHWGZDACLDXELJ-NEWJYFPISA-N 0 0 477.605 2.840 40 0 biogenic,in-vitro JFABRN Cc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1 ZINC000000798874 553783383 /nfs/dbraw/zinc/78/33/83/553783383.db2.gz VDGDEPMSWPYSNJ-UHFFFAOYSA-N 0 0 467.526 2.660 40 0 JFABRN CCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c1c(=O)n(C)c(=O)n2C ZINC000000880809 553817446 /nfs/dbraw/zinc/81/74/46/553817446.db2.gz GPGRAFHSCHIRPB-UHFFFAOYSA-N 0 0 455.462 2.593 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCN1CCOCC1)C(=S)Nc1ccccc1)OCCO3 ZINC000000891206 553828629 /nfs/dbraw/zinc/82/86/29/553828629.db2.gz OFCVJGNOONMXHJ-UHFFFAOYSA-N 0 0 480.590 2.831 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)Cc3ccc4c(c3)OCO4)n2)cc1 ZINC000000903648 553836900 /nfs/dbraw/zinc/83/69/00/553836900.db2.gz CHOJBQGCGNNYCZ-UHFFFAOYSA-N 0 0 490.564 2.855 40 0 JFABRN COc1ccc(CCn2c(=O)c3ccccc3nc2SCC(=O)N2CCOCC2)cc1OC ZINC000000905633 553838098 /nfs/dbraw/zinc/83/80/98/553838098.db2.gz NDRJFQIKEKTALC-UHFFFAOYSA-N 0 0 469.563 2.607 40 0 JFABRN COC(=O)c1cccc(S(=O)(=O)N(Cc2cc3ccc(OC)cc3[nH]c2=O)C[C@@H]2CCCO2)c1 ZINC000000917954 553848966 /nfs/dbraw/zinc/84/89/66/553848966.db2.gz GTTRURGNVFMZPZ-FQEVSTJZSA-N 0 0 486.546 2.693 40 0 JFABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000000918359 553849644 /nfs/dbraw/zinc/84/96/44/553849644.db2.gz DZPLWGZSWZZUHB-HXUWFJFHSA-N 0 0 486.546 2.693 40 0 JFABRN COc1ccc(S(=O)(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000000918338 553849690 /nfs/dbraw/zinc/84/96/90/553849690.db2.gz UXSIIOLBECHXFM-HXUWFJFHSA-N 0 0 458.536 2.915 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1 ZINC000000919771 553851369 /nfs/dbraw/zinc/85/13/69/553851369.db2.gz CRVCAEBFYGBEMX-UHFFFAOYSA-N 0 0 451.512 2.516 40 0 JFABRN CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)CC1 ZINC000000920960 553853947 /nfs/dbraw/zinc/85/39/47/553853947.db2.gz CJFNRPIYGVGSHX-UHFFFAOYSA-N 0 0 481.615 2.757 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000926671 553863052 /nfs/dbraw/zinc/86/30/52/553863052.db2.gz FNEVNAOMHQHWKK-UHFFFAOYSA-N 0 0 474.565 2.939 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000926876 553863443 /nfs/dbraw/zinc/86/34/43/553863443.db2.gz ODCBOBUSVSPDGT-UHFFFAOYSA-N 0 0 474.565 2.939 40 0 JFABRN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000000930476 553868267 /nfs/dbraw/zinc/86/82/67/553868267.db2.gz CQINZRYPPQINEF-INIZCTEOSA-N 0 0 475.574 2.552 40 0 JFABRN CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnnn2-c2cc(OC)ccc2OC)cc1 ZINC000000932166 553870612 /nfs/dbraw/zinc/87/06/12/553870612.db2.gz AFQOFXNNFDTXHC-UHFFFAOYSA-N 0 0 470.555 2.892 40 0 JFABRN CCOc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1 ZINC000000934226 553873005 /nfs/dbraw/zinc/87/30/05/553873005.db2.gz IWQRTLVJMKQHED-UHFFFAOYSA-N 0 0 480.550 2.856 40 0 JFABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1Cl ZINC000001264256 553938149 /nfs/dbraw/zinc/93/81/49/553938149.db2.gz UALCFUYOANLSDM-UHFFFAOYSA-N 0 0 497.042 2.947 40 0 JFABRN Cc1ccc(C(=O)OC[C@@H]2O[C@@H]3[C@H](Oc4c(C)c(=O)ncn43)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000005223234 554487590 /nfs/dbraw/zinc/48/75/90/554487590.db2.gz RNKNDVPLZYXRLZ-VMIIQTFKSA-N 0 0 476.485 2.910 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccccc3F)n2)cc1OC ZINC000006134023 554505877 /nfs/dbraw/zinc/50/58/77/554505877.db2.gz WOHOIGGLUOQWBQ-UHFFFAOYSA-N 0 0 484.532 2.692 40 0 JFABRN Cc1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(C)cc4)CC2)[nH]c3=O)cc1 ZINC000006161772 554513939 /nfs/dbraw/zinc/51/39/39/554513939.db2.gz GGYRJRGVNDSQTJ-UHFFFAOYSA-N 0 0 478.578 2.748 40 0 JFABRN COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000006190522 554516516 /nfs/dbraw/zinc/51/65/16/554516516.db2.gz BMTQMARVAUVLIC-NJYVYQBISA-N 0 0 489.613 2.817 40 0 JFABRN CC(C)C[C@@H](NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O ZINC000006190434 554516602 /nfs/dbraw/zinc/51/66/02/554516602.db2.gz DLESLZSNPIALHC-RBUKOAKNSA-N 0 0 478.590 2.603 40 0 JFABRN COC(=O)c1cccc(S(=O)(=O)N(CCCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 ZINC000006320690 554530595 /nfs/dbraw/zinc/53/05/95/554530595.db2.gz HMEJXNGRRKDDJN-UHFFFAOYSA-N 0 0 458.536 2.505 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1N ZINC000006444846 554539313 /nfs/dbraw/zinc/53/93/13/554539313.db2.gz UOEYKZUGAPEOPA-LJQANCHMSA-N 0 0 482.541 2.805 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1N ZINC000006446460 554540715 /nfs/dbraw/zinc/54/07/15/554540715.db2.gz YSWAZXXBQJHSMR-IBGZPJMESA-N 0 0 464.551 2.666 40 0 JFABRN CCC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006501031 554547232 /nfs/dbraw/zinc/54/72/32/554547232.db2.gz TXJQRZZQCHENPP-INIZCTEOSA-N 0 0 461.563 2.833 40 0 JFABRN CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 ZINC000006501069 554547277 /nfs/dbraw/zinc/54/72/77/554547277.db2.gz BFZOVYOIACGURP-INIZCTEOSA-N 0 0 459.572 2.707 40 0 JFABRN CCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006501272 554547386 /nfs/dbraw/zinc/54/73/86/554547386.db2.gz LRYIBPCXMDZFNX-OAHLLOKOSA-N 0 0 461.588 2.559 40 0 JFABRN CCOC(=O)Cc1csc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2C)n1 ZINC000006547333 554550070 /nfs/dbraw/zinc/55/00/70/554550070.db2.gz QZJZLHSUZLRMMZ-UHFFFAOYSA-N 0 0 461.569 2.995 40 0 JFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000006551556 554550986 /nfs/dbraw/zinc/55/09/86/554550986.db2.gz LGYNLHUKUHXHGU-HXUWFJFHSA-N 0 0 458.946 2.772 40 0 JFABRN CCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000006600893 554555653 /nfs/dbraw/zinc/55/56/53/554555653.db2.gz SOPXZBYCRPCNQW-UHFFFAOYSA-N 0 0 466.517 2.970 40 0 JFABRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCOC)c1ccc(F)cc1 ZINC000006860596 554559382 /nfs/dbraw/zinc/55/93/82/554559382.db2.gz HXXFWRCRPJDBQT-FQEVSTJZSA-N 0 0 499.568 2.676 40 0 JFABRN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000006878353 554559561 /nfs/dbraw/zinc/55/95/61/554559561.db2.gz ZHVVDSUQWRDMFE-UHFFFAOYSA-N 0 0 478.538 2.517 40 0 JFABRN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(OC)cc1 ZINC000006878367 554559802 /nfs/dbraw/zinc/55/98/02/554559802.db2.gz LALMENANXHMOMC-UHFFFAOYSA-N 0 0 450.528 2.739 40 0 JFABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000006973558 554562707 /nfs/dbraw/zinc/56/27/07/554562707.db2.gz KDKFDKJNRDPAPS-HXUWFJFHSA-N 0 0 497.577 2.868 40 0 JFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000006973692 554562728 /nfs/dbraw/zinc/56/27/28/554562728.db2.gz NFUPYPDUPZTSAM-IBGZPJMESA-N 0 0 483.550 2.873 40 0 JFABRN COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NS(=O)(=O)c4cccs4)c23)cc1 ZINC000008263698 554564536 /nfs/dbraw/zinc/56/45/36/554564536.db2.gz YMZFTBFVHRISQZ-DOTOQJQBSA-N 0 0 485.587 2.979 40 0 biogenic,in-vitro JFABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCCCCC1)OCCO3 ZINC000008752226 554653911 /nfs/dbraw/zinc/65/39/11/554653911.db2.gz XXLFWQIECRDDGJ-VGSWGCGISA-N 0 0 466.542 2.843 40 0 JFABRN Cc1ccc(CN2C(=O)N/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1 ZINC000009265065 555040631 /nfs/dbraw/zinc/04/06/31/555040631.db2.gz AYAHAORGAAXEIE-HYARGMPZSA-N 0 0 458.518 2.901 40 0 JFABRN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@@H](C)[C@H]4CCCC[C@@H]43)=C2)cc1OC ZINC000009290130 555064633 /nfs/dbraw/zinc/06/46/33/555064633.db2.gz JIXVCQKQWSIIOC-SUMDDJOVSA-N 0 0 461.584 2.994 40 0 JFABRN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@@H](C)[C@H]4CCCC[C@H]43)=C2)cc1OC ZINC000009290132 555064657 /nfs/dbraw/zinc/06/46/57/555064657.db2.gz JIXVCQKQWSIIOC-SZVBFZGTSA-N 0 0 461.584 2.994 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)no1 ZINC000013150869 555356850 /nfs/dbraw/zinc/35/68/50/555356850.db2.gz QQQMLAFGEUIECA-CYFREDJKSA-N 0 0 495.536 2.755 40 0 JFABRN CC[C@@H](C(=O)NCc1ccco1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013151044 555358175 /nfs/dbraw/zinc/35/81/75/555358175.db2.gz SKXVMQMAMHXJRY-FQEVSTJZSA-N 0 0 475.592 2.743 40 0 JFABRN CC[C@H](c1nnnn1CCc1ccccc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013496039 555410827 /nfs/dbraw/zinc/41/08/27/555410827.db2.gz QZLQOJYFXFPJBJ-JOCHJYFZSA-N 0 0 490.564 2.822 40 0 JFABRN Cc1cc2cc(CN(CCO)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498936 555426442 /nfs/dbraw/zinc/42/64/42/555426442.db2.gz VUQFJRBEGQZEJL-RBBKRZOGSA-N 0 0 454.575 2.502 40 0 JFABRN COc1ccc(CNC(=O)CN(C(=O)CCC(=O)Nc2nccs2)c2ccc3c(c2)OCO3)cc1 ZINC000013501638 555450690 /nfs/dbraw/zinc/45/06/90/555450690.db2.gz ACUAYOFDJUIVFR-UHFFFAOYSA-N 0 0 496.545 2.949 40 0 JFABRN CC(C)[C@H](C(=O)NCc1ccco1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502779 555457189 /nfs/dbraw/zinc/45/71/89/555457189.db2.gz LTRUYXOPQFPJEF-JOCHJYFZSA-N 0 0 489.619 2.989 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccccc2)Cc2cccs2)cc1 ZINC000013502955 555458384 /nfs/dbraw/zinc/45/83/84/555458384.db2.gz DJEYYJIJIMKDAL-UHFFFAOYSA-N 0 0 471.604 2.680 40 0 JFABRN CCC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(OC)cc1 ZINC000013503026 555458742 /nfs/dbraw/zinc/45/87/42/555458742.db2.gz BXMFYJSVFMFYRC-FQEVSTJZSA-N 0 0 479.599 2.679 40 0 JFABRN CC(C)[C@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013503097 555459354 /nfs/dbraw/zinc/45/93/54/555459354.db2.gz DWONFCJWQPMREA-JOCHJYFZSA-N 0 0 479.574 2.809 40 0 JFABRN COc1cc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C(=O)c3ccco3)CC2)cc(OC)c1OC ZINC000013504041 555462404 /nfs/dbraw/zinc/46/24/04/555462404.db2.gz YIMKDQKJAJOIHM-FQEVSTJZSA-N 0 0 484.557 2.594 40 0 JFABRN COc1ccccc1N1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000013504382 555463591 /nfs/dbraw/zinc/46/35/91/555463591.db2.gz WSKDNJLBIMJHDQ-REWPJTCUSA-N 0 0 452.534 2.911 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013504450 555463802 /nfs/dbraw/zinc/46/38/02/555463802.db2.gz GEADHIJDGWQAMA-NZQKXSOJSA-N 0 0 452.534 2.911 40 0 JFABRN CCOC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013505714 555467849 /nfs/dbraw/zinc/46/78/49/555467849.db2.gz CHZYUESMUPFWHT-DEOSSOPVSA-N 0 0 484.553 2.894 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(C[C@H]2CCCO2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)no1 ZINC000013505831 555468292 /nfs/dbraw/zinc/46/82/92/555468292.db2.gz BPHBXBBOURPMFT-BPYKYCOYSA-N 0 0 498.580 2.746 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccccc2Cl)no1 ZINC000013505875 555468630 /nfs/dbraw/zinc/46/86/30/555468630.db2.gz SSDCQVBHIAKCOY-QGZVFWFLSA-N 0 0 462.934 2.679 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 ZINC000013508353 555478377 /nfs/dbraw/zinc/47/83/77/555478377.db2.gz JNNSJNXDEKUNKW-XMMPIXPASA-N 0 0 477.521 2.878 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 ZINC000013508351 555478402 /nfs/dbraw/zinc/47/84/02/555478402.db2.gz JNNSJNXDEKUNKW-DEOSSOPVSA-N 0 0 477.521 2.878 40 0 JFABRN COCCNC(=O)[C@H](c1ccco1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013508517 555478846 /nfs/dbraw/zinc/47/88/46/555478846.db2.gz MMIDPPLKDXMVFQ-QHCPKHFHSA-N 0 0 465.485 2.696 40 0 JFABRN COCCNC(=O)[C@H](c1ccco1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013508550 555478855 /nfs/dbraw/zinc/47/88/55/555478855.db2.gz CXLTVNXTCKZDQU-DEOSSOPVSA-N 0 0 461.522 2.600 40 0 JFABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCOC)c1ccco1 ZINC000013508480 555478857 /nfs/dbraw/zinc/47/88/57/555478857.db2.gz WDUOFICCLOXHDJ-DEOSSOPVSA-N 0 0 477.521 2.960 40 0 JFABRN COCCNC(=O)[C@H](c1cccc(OC)c1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013509005 555480290 /nfs/dbraw/zinc/48/02/90/555480290.db2.gz IOHIKAOQXDNDEE-DEOSSOPVSA-N 0 0 477.521 2.566 40 0 JFABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCOC)c1ccncc1 ZINC000013509294 555481106 /nfs/dbraw/zinc/48/11/06/555481106.db2.gz LYXYTASJOAZDNP-RUZDIDTESA-N 0 0 472.549 2.926 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013509381 555481354 /nfs/dbraw/zinc/48/13/54/555481354.db2.gz VHHIHSKGUADZLU-CVDCTZTESA-N 0 0 485.972 2.596 40 0 JFABRN COCCNC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C ZINC000013509367 555481387 /nfs/dbraw/zinc/48/13/87/555481387.db2.gz BPONNPCCABNGDW-RUZDIDTESA-N 0 0 472.549 2.980 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2ncoc2-c2ccc(F)cc2)CC1 ZINC000013565390 555501505 /nfs/dbraw/zinc/50/15/05/555501505.db2.gz FPSZNXQDBDGBHD-UHFFFAOYSA-N 0 0 459.499 2.944 40 0 JFABRN O=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)Nc1cccc(F)c1 ZINC000013565377 555501506 /nfs/dbraw/zinc/50/15/06/555501506.db2.gz LWAGOMDJFLXSGD-UHFFFAOYSA-N 0 0 476.574 2.885 40 0 JFABRN CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013565579 555502225 /nfs/dbraw/zinc/50/22/25/555502225.db2.gz JJZOYTFNIKKUTJ-VWLOTQADSA-N 0 0 479.602 2.857 40 0 JFABRN CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000013565707 555502588 /nfs/dbraw/zinc/50/25/88/555502588.db2.gz QDXKBISYMFMYNC-DEOSSOPVSA-N 0 0 497.592 2.996 40 0 JFABRN COC(=O)C1=C(CN(C)CCc2ccc(OC)c(OC)c2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000013565852 555502868 /nfs/dbraw/zinc/50/28/68/555502868.db2.gz BVUZFQKHDXZHMI-QHCPKHFHSA-N 0 0 469.538 2.668 40 0 JFABRN COC(=O)c1ccc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000013572266 555510696 /nfs/dbraw/zinc/51/06/96/555510696.db2.gz AAUQVFGHOIOIOM-GOEBONIOSA-N 0 0 457.577 2.711 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000009804817 555516542 /nfs/dbraw/zinc/51/65/42/555516542.db2.gz RJFBNRKRPURWGA-UHFFFAOYSA-N 0 0 462.543 2.818 40 0 JFABRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000019856609 555516594 /nfs/dbraw/zinc/51/65/94/555516594.db2.gz CKFXCQYWNMBVIP-UHFFFAOYSA-N 0 0 463.556 2.638 40 0 JFABRN CCN1CCN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000019856653 555516968 /nfs/dbraw/zinc/51/69/68/555516968.db2.gz DROLDFHDFWEIMR-UHFFFAOYSA-N 0 0 451.976 2.708 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000013580818 555519138 /nfs/dbraw/zinc/51/91/38/555519138.db2.gz KGZBMNXWZNFWLO-SFHVURJKSA-N 0 0 461.559 2.584 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(I)cc1 ZINC000013580978 555519215 /nfs/dbraw/zinc/51/92/15/555519215.db2.gz DQKYGSHRASRKQO-UHFFFAOYSA-N 0 0 478.283 2.698 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000013580822 555519278 /nfs/dbraw/zinc/51/92/78/555519278.db2.gz ZYSPRANQZNNUEG-KRWDZBQOSA-N 0 0 479.549 2.723 40 0 JFABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccc(I)cc1 ZINC000013582854 555520490 /nfs/dbraw/zinc/52/04/90/555520490.db2.gz HNERQXDZWPNMHI-UHFFFAOYSA-N 0 0 460.293 2.948 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868886 555523584 /nfs/dbraw/zinc/52/35/84/555523584.db2.gz HKQHBVBHUOFJCU-MRXNPFEDSA-N 0 0 465.597 2.554 40 0 JFABRN CCN(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930082 555547181 /nfs/dbraw/zinc/54/71/81/555547181.db2.gz HGGLJJLWNOHQQT-UHFFFAOYSA-N 0 0 470.975 2.735 40 0 JFABRN CCN(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930270 555547449 /nfs/dbraw/zinc/54/74/49/555547449.db2.gz SKLHRFYNNJNZFW-UHFFFAOYSA-N 0 0 469.966 2.847 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000013647048 555551312 /nfs/dbraw/zinc/55/13/12/555551312.db2.gz SJKFAQDNGGKERN-UHFFFAOYSA-N 0 0 490.578 2.619 40 0 JFABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)NCCO)cc2)cc1 ZINC000019938085 555555737 /nfs/dbraw/zinc/55/57/37/555555737.db2.gz NVZXSGRFHBDQRC-UHFFFAOYSA-N 0 0 454.548 2.878 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1 ZINC000019940356 555558433 /nfs/dbraw/zinc/55/84/33/555558433.db2.gz RMVAFOBUZYIDQF-JOCHJYFZSA-N 0 0 451.575 2.755 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCN1CCOCC1)C(=S)Nc1ccccc1)OCO3 ZINC000019940462 555558459 /nfs/dbraw/zinc/55/84/59/555558459.db2.gz PXZLDDYVSURCMF-UHFFFAOYSA-N 0 0 466.563 2.788 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c1C ZINC000013669595 555559582 /nfs/dbraw/zinc/55/95/82/555559582.db2.gz DJEYXPDJQLDRBC-UHFFFAOYSA-N 0 0 450.513 2.594 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000019941177 555559971 /nfs/dbraw/zinc/55/99/71/555559971.db2.gz ZRKJHYBGMXBVFV-NJHFVCTFSA-N 0 0 479.549 2.988 40 0 JFABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000019941272 555560281 /nfs/dbraw/zinc/56/02/81/555560281.db2.gz ZCLLFVSMBVVZSD-MWOWJKGTSA-N 0 0 467.607 2.977 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCSc1ccc(C)cc1 ZINC000009889030 555562639 /nfs/dbraw/zinc/56/26/39/555562639.db2.gz WIMIJLXZFBSXSE-UHFFFAOYSA-N 0 0 450.582 2.547 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(=O)NC(C)C)C2)cc1 ZINC000013677514 555568372 /nfs/dbraw/zinc/56/83/72/555568372.db2.gz IXOQRCQLNGCPJY-KRWDZBQOSA-N 0 0 459.568 2.873 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)cc2c1 ZINC000019972913 555574721 /nfs/dbraw/zinc/57/47/21/555574721.db2.gz WLZXUWICVYPNEJ-QFIPXVFZSA-N 0 0 489.580 2.972 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(c4ccc(F)cc4)CC3)cc2c1 ZINC000019972949 555574971 /nfs/dbraw/zinc/57/49/71/555574971.db2.gz XDLKIOLISZKPSQ-DEOSSOPVSA-N 0 0 491.571 2.774 40 0 JFABRN COc1cccc(NC(=O)CSC(Nc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000009974219 555577565 /nfs/dbraw/zinc/57/75/65/555577565.db2.gz QAJVORXHMHBPTQ-UHFFFAOYSA-N 0 0 454.508 2.741 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1C ZINC000009974582 555579631 /nfs/dbraw/zinc/57/96/31/555579631.db2.gz OVACXJLJLVMSNO-IBGZPJMESA-N 0 0 475.586 2.892 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000020009495 555584896 /nfs/dbraw/zinc/58/48/96/555584896.db2.gz HALTYMVAZWGPRH-IBGZPJMESA-N 0 0 459.955 2.950 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000020009472 555584935 /nfs/dbraw/zinc/58/49/35/555584935.db2.gz QRODNXQGARSZON-ZWKOTPCHSA-N 0 0 452.960 2.533 40 0 JFABRN CC[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)N(c1ccccc1)S(C)(=O)=O ZINC000013711687 555589228 /nfs/dbraw/zinc/58/92/28/555589228.db2.gz URMMSAVSBUIRHR-KRWDZBQOSA-N 0 0 450.513 2.674 40 0 JFABRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711614 555589245 /nfs/dbraw/zinc/58/92/45/555589245.db2.gz LWPVGMIZWORAHG-HXUWFJFHSA-N 0 0 465.597 2.654 40 0 JFABRN CCN(CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000020014770 555590786 /nfs/dbraw/zinc/59/07/86/555590786.db2.gz PLXUJXRYKMXLAM-INIZCTEOSA-N 0 0 450.557 2.909 40 0 JFABRN CCN(CC(=O)NCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000020014661 555590829 /nfs/dbraw/zinc/59/08/29/555590829.db2.gz FZCSVTTYWOIQNQ-UHFFFAOYSA-N 0 0 471.373 2.793 40 0 JFABRN CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713712 555591075 /nfs/dbraw/zinc/59/10/75/555591075.db2.gz KUVKJKPKNDYRMG-IBGZPJMESA-N 0 0 462.524 2.752 40 0 JFABRN CC[C@H](C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713849 555591418 /nfs/dbraw/zinc/59/14/18/555591418.db2.gz UNFUZJQHNMCJAH-LJQANCHMSA-N 0 0 462.524 2.752 40 0 JFABRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715808 555593290 /nfs/dbraw/zinc/59/32/90/555593290.db2.gz BOPDVRGTYGSWKA-FQEVSTJZSA-N 0 0 483.587 2.794 40 0 JFABRN COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 ZINC000020018056 555593906 /nfs/dbraw/zinc/59/39/06/555593906.db2.gz UBVCFASWJODPMB-INIZCTEOSA-N 0 0 462.568 2.991 40 0 JFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716699 555594131 /nfs/dbraw/zinc/59/41/31/555594131.db2.gz OBDDHFFRBYAEID-JOCHJYFZSA-N 0 0 473.595 2.959 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000020022223 555599633 /nfs/dbraw/zinc/59/96/33/555599633.db2.gz XYGLYNUFPAWQEV-INIZCTEOSA-N 0 0 452.960 2.926 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)N[C@@H]1CCCc2ccccc21 ZINC000020023161 555601129 /nfs/dbraw/zinc/60/11/29/555601129.db2.gz QKIRSFQPSGEFHG-HXUWFJFHSA-N 0 0 464.971 2.934 40 0 JFABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)NCCc3ccccc3)n2C)cc1OC ZINC000010041365 555605900 /nfs/dbraw/zinc/60/59/00/555605900.db2.gz FHFNCXRWAHTKCO-ZRDIBKRKSA-N 0 0 495.605 2.613 40 0 JFABRN COc1ccccc1N(C[C@@H](O)CNS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000020034524 555609274 /nfs/dbraw/zinc/60/92/74/555609274.db2.gz GCXSWXTYQJNIKC-IBGZPJMESA-N 0 0 490.603 2.538 40 0 JFABRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCSCc2c(Cl)cccc2Cl)C1 ZINC000020044222 555615611 /nfs/dbraw/zinc/61/56/11/555615611.db2.gz QAQXZXUQEQHAPB-CYBMUJFWSA-N 0 0 454.445 2.861 40 0 JFABRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000020098160 555632980 /nfs/dbraw/zinc/63/29/80/555632980.db2.gz DQMISPDRRLOTEF-FQEVSTJZSA-N 0 0 477.652 2.756 40 0 JFABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000020105165 555638394 /nfs/dbraw/zinc/63/83/94/555638394.db2.gz SCPZMBCPWFSZNE-HNNXBMFYSA-N 0 0 450.536 2.606 40 0 JFABRN O=C(C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1)N1CC(=O)Nc2ccccc21 ZINC000020110450 555646561 /nfs/dbraw/zinc/64/65/61/555646561.db2.gz RBUSVILLEQDZCW-UHFFFAOYSA-N 0 0 492.395 2.976 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(OC)cc2)C1C(=O)c1ccc(Br)cc1 ZINC000010231981 555655656 /nfs/dbraw/zinc/65/56/56/555655656.db2.gz KQZDFKVNJAAQRO-QGZVFWFLSA-N 0 0 470.283 2.769 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2cccc(OC)c2)C1C(=O)c1ccc(Br)cc1 ZINC000010231984 555655802 /nfs/dbraw/zinc/65/58/02/555655802.db2.gz LGXKMJJEFVJNHR-KRWDZBQOSA-N 0 0 470.283 2.769 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(Br)cc2)C1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000010232178 555656370 /nfs/dbraw/zinc/65/63/70/555656370.db2.gz YZJFAAJHTBDQIP-MRXNPFEDSA-N 0 0 485.254 2.669 40 0 JFABRN CCOc1ccc(C(=O)C2C(C(=O)OC)=Nc3nnnn3[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000010232138 555656438 /nfs/dbraw/zinc/65/64/38/555656438.db2.gz LEIXGYVHMJWFKH-FQEVSTJZSA-N 0 0 465.466 2.501 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2cccc(Br)c2)C1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000010232208 555656617 /nfs/dbraw/zinc/65/66/17/555656617.db2.gz DPNNCDDPPYSYSS-MRXNPFEDSA-N 0 0 485.254 2.669 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000020150771 555667446 /nfs/dbraw/zinc/66/74/46/555667446.db2.gz CXLBCXITWVXHHO-RTXPOLOASA-N 0 0 488.587 2.634 40 0 JFABRN CCC[C@]1(C(=O)OC)N[C@@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000020150831 555667451 /nfs/dbraw/zinc/66/74/51/555667451.db2.gz QDNNJANLDZUYRT-YGWSKSRPSA-N 0 0 496.516 2.595 40 0 JFABRN Cc1ccc(C(=O)NCCSCc2ccccc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000010281816 555672546 /nfs/dbraw/zinc/67/25/46/555672546.db2.gz WSIFMLWDHPFEPU-UHFFFAOYSA-N 0 0 452.573 2.818 40 0 JFABRN O=CN1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000010283839 555673263 /nfs/dbraw/zinc/67/32/63/555673263.db2.gz OTKPZPDJJMXJCV-UHFFFAOYSA-N 0 0 463.559 2.996 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(C)c(Cl)c1 ZINC000010299858 555676609 /nfs/dbraw/zinc/67/66/09/555676609.db2.gz PEBJMOSSOFQEPX-UHFFFAOYSA-N 0 0 494.013 2.885 40 0 JFABRN CCOCCCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000010300134 555676955 /nfs/dbraw/zinc/67/69/55/555676955.db2.gz ONRZQPVUQCZSFW-UHFFFAOYSA-N 0 0 450.557 2.750 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000010301142 555677821 /nfs/dbraw/zinc/67/78/21/555677821.db2.gz IUEKZMFGQPSAGU-UHFFFAOYSA-N 0 0 489.594 2.808 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000010330643 555687416 /nfs/dbraw/zinc/68/74/16/555687416.db2.gz XFIAPHQOIIAHKZ-UHFFFAOYSA-N 0 0 461.584 2.865 40 0 JFABRN Cc1ccc(N(CCCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1C ZINC000010330690 555687483 /nfs/dbraw/zinc/68/74/83/555687483.db2.gz CNTJOHJNZCJSCM-UHFFFAOYSA-N 0 0 467.613 2.884 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000010335732 555690645 /nfs/dbraw/zinc/69/06/45/555690645.db2.gz FRPLIMKXFZKMHQ-UHFFFAOYSA-N 0 0 498.001 2.910 40 0 JFABRN O=C(C[C@H]1C(=O)NCCN1C(=S)Nc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000010339334 555693888 /nfs/dbraw/zinc/69/38/88/555693888.db2.gz YPYDBGLHJZXWAV-FQEVSTJZSA-N 0 0 472.014 2.576 40 0 JFABRN CCN1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000014135519 555703365 /nfs/dbraw/zinc/70/33/65/555703365.db2.gz CSZPQHFJHGYYKL-UHFFFAOYSA-N 0 0 450.004 2.738 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(Cl)cc2)cc1OC ZINC000014154653 555712120 /nfs/dbraw/zinc/71/21/20/555712120.db2.gz CLIROLMYJYDIBQ-QGZVFWFLSA-N 0 0 468.959 2.848 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(=O)OC)CC2)c2ccc(F)cc2)cc1 ZINC000010542096 555725190 /nfs/dbraw/zinc/72/51/90/555725190.db2.gz ZYEYALAHGYMMMF-UHFFFAOYSA-N 0 0 478.542 2.831 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020235669 555728253 /nfs/dbraw/zinc/72/82/53/555728253.db2.gz OXHMJMPTFKILIU-UHFFFAOYSA-N 0 0 453.520 2.937 40 0 JFABRN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000020237039 555730784 /nfs/dbraw/zinc/73/07/84/555730784.db2.gz KHEPGFNFEQWFDB-UHFFFAOYSA-N 0 0 495.623 2.665 40 0 JFABRN COc1ccccc1N1CCN(C(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1 ZINC000020236952 555730788 /nfs/dbraw/zinc/73/07/88/555730788.db2.gz YAVLFJLRBBSAOW-UHFFFAOYSA-N 0 0 482.400 2.573 40 0 JFABRN Cc1ccc(C)c(N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(=O)(=O)N(C)C)c1 ZINC000020244959 555740963 /nfs/dbraw/zinc/74/09/63/555740963.db2.gz BXEDYEYYAXFGHZ-UHFFFAOYSA-N 0 0 458.628 2.882 40 0 JFABRN COc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000010860280 555743920 /nfs/dbraw/zinc/74/39/20/555743920.db2.gz GZAPLPZQTXGAEL-UHFFFAOYSA-N 0 0 474.457 2.752 40 0 JFABRN Cn1c2c(c(=O)n(C)c1=O)n(Cc1c(F)cccc1Cl)c1nnc(-c3ccc(F)cc3)n12 ZINC000010969554 555750398 /nfs/dbraw/zinc/75/03/98/555750398.db2.gz WMWGLUUTGPESSM-UHFFFAOYSA-N 0 0 456.840 2.728 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000014257333 555756746 /nfs/dbraw/zinc/75/67/46/555756746.db2.gz MSNHETKJVMHXIZ-PRWBYUBPSA-N 0 0 468.531 2.717 40 0 JFABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(OC)cc(OC)c3)cc2)CC1 ZINC000014271653 555767078 /nfs/dbraw/zinc/76/70/78/555767078.db2.gz OWNBYUDCTMNAED-UHFFFAOYSA-N 0 0 456.568 2.889 40 0 JFABRN COc1cc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(C)=O)CC2)cc(OC)c1OC ZINC000014271680 555767151 /nfs/dbraw/zinc/76/71/51/555767151.db2.gz BZFKVXXQSJRWDO-UHFFFAOYSA-N 0 0 472.567 2.508 40 0 JFABRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000011244653 555769164 /nfs/dbraw/zinc/76/91/64/555769164.db2.gz MFNGCEZEFBZCAE-RZQQEMMASA-N 0 0 454.564 2.853 40 0 JFABRN O=C(O[C@H](CO)[C@H](OC(=O)c1ccccc1)[C@@H](O)[C@@H]1COC2(CCCCC2)O1)c1ccccc1 ZINC000011565568 555787810 /nfs/dbraw/zinc/78/78/10/555787810.db2.gz JJEBFUXIGCYODM-LDVJMBRRSA-N 0 0 470.518 2.867 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000014374021 555800566 /nfs/dbraw/zinc/80/05/66/555800566.db2.gz IZSLNOYNMHAJKC-AWEZNQCLSA-N 0 0 454.932 2.776 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCSCc1ccccc1C)c1ccc2c(c1)OCO2 ZINC000014399245 555804914 /nfs/dbraw/zinc/80/49/14/555804914.db2.gz XNUVWXCDJCUQJT-UHFFFAOYSA-N 0 0 450.582 2.929 40 0 JFABRN COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(OC(C)C)cc3)c(=O)n12 ZINC000020549904 555807029 /nfs/dbraw/zinc/80/70/29/555807029.db2.gz LSTRBEJFPJHQQQ-NBTFGWEVSA-N 0 0 464.543 2.646 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 ZINC000011833156 555831538 /nfs/dbraw/zinc/83/15/38/555831538.db2.gz BPGTVJDMTRZBQX-KRWDZBQOSA-N 0 0 484.505 2.805 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccccc2)cc1 ZINC000021025777 555849544 /nfs/dbraw/zinc/84/95/44/555849544.db2.gz GXDLLJUCMZGJQW-UHFFFAOYSA-N 0 0 453.520 2.624 40 0 JFABRN COc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000015137358 555880141 /nfs/dbraw/zinc/88/01/41/555880141.db2.gz CQKNLWHZIIUXRT-INIZCTEOSA-N 0 0 466.531 2.569 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000015198248 555883829 /nfs/dbraw/zinc/88/38/29/555883829.db2.gz DVEZCGXIDALQJA-KRWDZBQOSA-N 0 0 464.609 2.677 40 0 JFABRN COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1OC ZINC000022227629 555886487 /nfs/dbraw/zinc/88/64/87/555886487.db2.gz AVKUVNCQLODRQG-UHFFFAOYSA-N 0 0 482.624 2.836 40 0 JFABRN CN1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000015225325 555886618 /nfs/dbraw/zinc/88/66/18/555886618.db2.gz CZQAPLRMQBJQHP-UHFFFAOYSA-N 0 0 456.395 2.958 40 0 JFABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000022229046 555887834 /nfs/dbraw/zinc/88/78/34/555887834.db2.gz MODAUNDJLNWGLI-UHFFFAOYSA-N 0 0 469.485 2.787 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000022229274 555888085 /nfs/dbraw/zinc/88/80/85/555888085.db2.gz OOJPZNJXJHPJRW-UHFFFAOYSA-N 0 0 467.975 2.677 40 0 JFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000022230071 555888863 /nfs/dbraw/zinc/88/88/63/555888863.db2.gz IIRMIABKRCSHSO-OAQYLSRUSA-N 0 0 461.559 2.645 40 0 JFABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCCCn2ccnc2)cc1 ZINC000022232827 555892495 /nfs/dbraw/zinc/89/24/95/555892495.db2.gz WKWHZLGFADURLP-UHFFFAOYSA-N 0 0 460.531 2.574 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCn2ccnc2)cc1Cl ZINC000022246817 555896914 /nfs/dbraw/zinc/89/69/14/555896914.db2.gz CVFORPKOEXUBOQ-HXUWFJFHSA-N 0 0 476.986 2.641 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000022247680 555897820 /nfs/dbraw/zinc/89/78/20/555897820.db2.gz QMPNLDOZFJUZON-HSZRJFAPSA-N 0 0 488.606 2.777 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)COC)cc1Cl ZINC000022248267 555898657 /nfs/dbraw/zinc/89/86/57/555898657.db2.gz VTHKZQJDGDIBJR-HNAYVOBHSA-N 0 0 454.976 2.779 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000022250450 555900089 /nfs/dbraw/zinc/90/00/89/555900089.db2.gz XLGLJZSHQZQZAQ-OAHLLOKOSA-N 0 0 468.959 2.626 40 0 JFABRN COc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(N(C)S(C)(=O)=O)cc1OC ZINC000022251362 555900344 /nfs/dbraw/zinc/90/03/44/555900344.db2.gz XEUMQFDWQKMADX-UHFFFAOYSA-N 0 0 467.975 2.715 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2N(CC)S(C)(=O)=O)cc1 ZINC000022252086 555900648 /nfs/dbraw/zinc/90/06/48/555900648.db2.gz OQMYTVLWRCQYBK-UHFFFAOYSA-N 0 0 450.513 2.919 40 0 JFABRN CCN1CCN(C(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)CC1 ZINC000022254655 555903210 /nfs/dbraw/zinc/90/32/10/555903210.db2.gz YSNWNQWIXIWRFF-UHFFFAOYSA-N 0 0 479.574 2.587 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1C ZINC000022268210 555906668 /nfs/dbraw/zinc/90/66/68/555906668.db2.gz XMECVGPTXASQQK-JOCHJYFZSA-N 0 0 453.564 2.995 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000022271649 555909787 /nfs/dbraw/zinc/90/97/87/555909787.db2.gz GPTLYIYYPPPXFO-QFIPXVFZSA-N 0 0 467.547 2.713 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015588575 555917215 /nfs/dbraw/zinc/91/72/15/555917215.db2.gz LBUBNNRTZGHRLH-AWEZNQCLSA-N 0 0 480.514 2.669 40 0 JFABRN Cc1c(Cl)cccc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000022337523 555922900 /nfs/dbraw/zinc/92/29/00/555922900.db2.gz LWJJZWYFQUNHFL-AWEZNQCLSA-N 0 0 458.989 2.695 40 0 JFABRN C[C@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022365952 555926252 /nfs/dbraw/zinc/92/62/52/555926252.db2.gz AXRZGLYGDRBEJI-LBPRGKRZSA-N 0 0 462.952 2.526 40 0 JFABRN C[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022365947 555926365 /nfs/dbraw/zinc/92/63/65/555926365.db2.gz AXRZGLYGDRBEJI-GFCCVEGCSA-N 0 0 462.952 2.526 40 0 JFABRN O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000012375021 555962156 /nfs/dbraw/zinc/96/21/56/555962156.db2.gz HYBOVSJRJVUKAN-YMYXXHFHSA-N 0 0 485.418 2.865 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000022928994 555980809 /nfs/dbraw/zinc/98/08/09/555980809.db2.gz XUWLABZHTDDFAM-RDGATRHJSA-N 0 0 478.597 2.777 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000022929016 555980865 /nfs/dbraw/zinc/98/08/65/555980865.db2.gz UPWVBJVIWAGEMO-RCZVLFRGSA-N 0 0 478.597 2.777 40 0 JFABRN CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000012497914 555990854 /nfs/dbraw/zinc/99/08/54/555990854.db2.gz SXLYGBGVPSJFHR-MSZDEVHKSA-N 0 0 480.517 2.716 40 0 JFABRN COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(OC)cc1Cl ZINC000015970643 556096334 /nfs/dbraw/zinc/09/63/34/556096334.db2.gz ZCZPWRNYKOENCP-UHFFFAOYSA-N 0 0 454.932 2.939 40 0 JFABRN O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]1[C@@H]1CCCN12 ZINC000015996247 556102841 /nfs/dbraw/zinc/10/28/41/556102841.db2.gz INSOEGISNFOBEP-UBPTVHNVSA-N 0 0 465.893 2.542 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000016014454 556112699 /nfs/dbraw/zinc/11/26/99/556112699.db2.gz AUKZHKTWWBEREB-UHFFFAOYSA-N 0 0 471.579 2.894 40 0 JFABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016014445 556112757 /nfs/dbraw/zinc/11/27/57/556112757.db2.gz QXVVXOYXAJYJGH-UHFFFAOYSA-N 0 0 457.552 2.586 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(c3ccccc3OC)CC2)cc1C ZINC000016678356 556150663 /nfs/dbraw/zinc/15/06/63/556150663.db2.gz JYLANFFGUGWVRS-UHFFFAOYSA-N 0 0 475.611 2.762 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000016682741 556151456 /nfs/dbraw/zinc/15/14/56/556151456.db2.gz ZPNQVYXONSWZBJ-UHFFFAOYSA-N 0 0 458.580 2.722 40 0 JFABRN CCOC(=O)c1cnc(SCC(=O)Nc2cccc(I)c2)nc1N ZINC000025212300 556205390 /nfs/dbraw/zinc/20/53/90/556205390.db2.gz SNUAFYBRNGNJKM-UHFFFAOYSA-N 0 0 458.281 2.571 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)C)c1cc(OC)ccc1OC ZINC000013029025 556223299 /nfs/dbraw/zinc/22/32/99/556223299.db2.gz JZODWFDHOXSPTD-HSZRJFAPSA-N 0 0 483.569 2.580 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1cccc(OC)c1 ZINC000013029666 556224158 /nfs/dbraw/zinc/22/41/58/556224158.db2.gz CUSQLZGSZPYACN-DEOSSOPVSA-N 0 0 465.554 2.715 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013030037 556224767 /nfs/dbraw/zinc/22/47/67/556224767.db2.gz BZZOYGJSDOFILP-QHCPKHFHSA-N 0 0 453.518 2.846 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C(=O)NC(C)C ZINC000026112306 556243793 /nfs/dbraw/zinc/24/37/93/556243793.db2.gz NMQPLCYQKRUSFY-UHFFFAOYSA-N 0 0 451.976 2.998 40 0 JFABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1 ZINC000026117064 556246615 /nfs/dbraw/zinc/24/66/15/556246615.db2.gz QYNJGVGHXFXDCT-UHFFFAOYSA-N 0 0 464.565 2.858 40 0 JFABRN CC[C@H](c1nnnn1CCOC)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064482 556261853 /nfs/dbraw/zinc/26/18/53/556261853.db2.gz DODMSWRXUIVMGT-HXUWFJFHSA-N 0 0 468.558 2.828 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@H](Cc3ccc(C)cc3)NC(C)=O)CC2)c1 ZINC000013085031 556282787 /nfs/dbraw/zinc/28/27/87/556282787.db2.gz QVGQJWSEPTZWNQ-QHCPKHFHSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccccc1NC(=O)N1CCC(NC(=O)[C@@H](Cc2cccc(C)c2)NC(C)=O)CC1 ZINC000013084998 556282864 /nfs/dbraw/zinc/28/28/64/556282864.db2.gz YNKXTIZOZJXLOK-JOCHJYFZSA-N 0 0 452.555 2.864 40 0 JFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1 ZINC000013085124 556283229 /nfs/dbraw/zinc/28/32/29/556283229.db2.gz BKAYJRJNBXDQGP-QHCPKHFHSA-N 0 0 452.555 2.864 40 0 JFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3cccc(OC)c3)CC2)c1 ZINC000013085141 556283254 /nfs/dbraw/zinc/28/32/54/556283254.db2.gz RGBYNTQZPGUIOD-QHCPKHFHSA-N 0 0 468.554 2.564 40 0 JFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccccc2C)CC1 ZINC000013085262 556283561 /nfs/dbraw/zinc/28/35/61/556283561.db2.gz NCBQQMJHPMTGES-QFIPXVFZSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000013085286 556283840 /nfs/dbraw/zinc/28/38/40/556283840.db2.gz CLCFIDRMTLSKOW-NRFANRHFSA-N 0 0 456.518 2.694 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3F)CC2)c(OC)c1 ZINC000013085368 556283841 /nfs/dbraw/zinc/28/38/41/556283841.db2.gz PYHYKWJQNYBISB-QFIPXVFZSA-N 0 0 486.544 2.703 40 0 JFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000013085297 556283859 /nfs/dbraw/zinc/28/38/59/556283859.db2.gz KZNGFSNGFQZVGB-OAQYLSRUSA-N 0 0 456.518 2.694 40 0 JFABRN COc1ccc(CNC(=O)CSc2nnc3n(CC(=O)N4CCCC4)c4ccccc4n23)cc1 ZINC000013085606 556284587 /nfs/dbraw/zinc/28/45/87/556284587.db2.gz CBUZLCWOECSZDI-UHFFFAOYSA-N 0 0 478.578 2.724 40 0 JFABRN CN(c1ccc2sc(C(=O)NCCN3CCOCC3)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000028209206 556320173 /nfs/dbraw/zinc/32/01/73/556320173.db2.gz XZYOPHJVFDLAQK-UHFFFAOYSA-N 0 0 477.583 2.928 40 0 JFABRN COCCn1nnnc1[C@@H](c1coc2ccc(C)cc2c1=O)N1CCN(c2ccccc2)CC1 ZINC000019219765 556334611 /nfs/dbraw/zinc/33/46/11/556334611.db2.gz JJEFKLSOVRDPJU-HSZRJFAPSA-N 0 0 460.538 2.646 40 0 JFABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4)CC3)cc2c1 ZINC000019220858 556334938 /nfs/dbraw/zinc/33/49/38/556334938.db2.gz NSGROZAMKTUHLH-DHLKQENFSA-N 0 0 485.592 2.914 40 0 JFABRN Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019222004 556335626 /nfs/dbraw/zinc/33/56/26/556335626.db2.gz UJECIYMPNYDGDP-DHLKQENFSA-N 0 0 485.592 2.914 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000019222037 556335670 /nfs/dbraw/zinc/33/56/70/556335670.db2.gz XKXLVRJYUNEAAE-HSZRJFAPSA-N 0 0 477.544 2.520 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000019234225 556336782 /nfs/dbraw/zinc/33/67/82/556336782.db2.gz KOBQUOAYHFHSPW-XMMPIXPASA-N 0 0 473.581 2.689 40 0 JFABRN CCCCN1C=N[C@H]2[C@@H]1C(OCC(=O)Nc1sccc1C(N)=O)=NC(=O)N2Cc1ccccc1 ZINC000028616827 556337238 /nfs/dbraw/zinc/33/72/38/556337238.db2.gz YIXVHSGUTDSSFR-UYAOXDASSA-N 0 0 482.566 2.675 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000019553444 556353702 /nfs/dbraw/zinc/35/37/02/556353702.db2.gz XLBJPZXKSGOWDV-GOTSBHOMSA-N 0 0 452.534 2.911 40 0 JFABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCCN3CCOCC3)n2)cc1OC ZINC000019561501 556354113 /nfs/dbraw/zinc/35/41/13/556354113.db2.gz WMUPHVHGJMIJAI-UHFFFAOYSA-N 0 0 486.516 2.720 40 0 JFABRN Cc1cc(I)ccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000030754914 556372817 /nfs/dbraw/zinc/37/28/17/556372817.db2.gz SUDGTKLGDPCFFL-INIZCTEOSA-N 0 0 472.304 2.765 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000030853048 556378666 /nfs/dbraw/zinc/37/86/66/556378666.db2.gz QDBKHKVXLMSYDH-KRWDZBQOSA-N 0 0 497.639 2.792 40 0 JFABRN C[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000030883677 556387026 /nfs/dbraw/zinc/38/70/26/556387026.db2.gz RFUIMCCCZSTNTK-ZQALBEJHSA-N 0 0 485.669 2.693 40 0 biogenic,in-vitro JFABRN C[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000030883671 556387056 /nfs/dbraw/zinc/38/70/56/556387056.db2.gz RFUIMCCCZSTNTK-CCIZZTQPSA-N 0 0 485.669 2.693 40 0 biogenic,in-vitro JFABRN C[C@H](C(=O)NCc1cc(F)cc(F)c1)[C@H]1CC[C@@]2(C)CC[C@H](NS(C)(=O)=O)[C@@H](C)[C@@H]2[C@H]1O ZINC000030884239 556387342 /nfs/dbraw/zinc/38/73/42/556387342.db2.gz OKSPJCYBMWLNPO-FHLNCXMZSA-N 0 0 472.598 2.958 40 0 biogenic,in-vitro JFABRN COC(=O)c1c(C)nc2ccn(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1-c1ccc(F)cc1 ZINC000019819242 556387710 /nfs/dbraw/zinc/38/77/10/556387710.db2.gz JXSJZPAAXKLAOG-UHFFFAOYSA-N 0 0 467.478 2.934 40 0 JFABRN CS(=O)(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3)cc2)CC1 ZINC000032125128 556428815 /nfs/dbraw/zinc/42/88/15/556428815.db2.gz FDWFANITKHHLBN-UHFFFAOYSA-N 0 0 468.373 2.548 40 0 JFABRN CCc1ccccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1OC ZINC000032640022 556459705 /nfs/dbraw/zinc/45/97/05/556459705.db2.gz YPFZEXGVYMKZCW-HKUYNNGSSA-N 0 0 459.593 2.971 40 0 JFABRN COc1ccc(CN2C(=O)CO[C@H](c3ccc(NC(=O)c4cc(C)on4)cc3)[C@H]2CO)cc1 ZINC000072321327 560076677 /nfs/dbraw/zinc/07/66/77/560076677.db2.gz ZOGLDQMCRGAMQT-FYYLOGMGSA-N 0 0 451.479 2.705 40 0 biogenic,in-vitro JFABRN Cc1ncsc1CN1C(=O)CO[C@H](c2ccc(NS(=O)(=O)c3ccccc3)cc2)[C@H]1CO ZINC000072321193 560076848 /nfs/dbraw/zinc/07/68/48/560076848.db2.gz XLBZESMHXSHWAG-DENIHFKCSA-N 0 0 473.576 2.713 40 0 biogenic,in-vitro JFABRN O=C1CO[C@H](c2ccc(NS(=O)(=O)c3ccccc3)cc2)[C@@H](CO)N1Cc1ccccc1 ZINC000072321082 560077004 /nfs/dbraw/zinc/07/70/04/560077004.db2.gz ITVVEDZFDFDMFG-ISKFKSNPSA-N 0 0 452.532 2.948 40 0 biogenic,in-vitro JFABRN COc1ccc2cc(CN(C[C@@H]3COCCO3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000008582821 562939943 /nfs/dbraw/zinc/93/99/43/562939943.db2.gz DUZGEINFFUFFGA-LJQANCHMSA-N 0 0 478.954 2.796 40 0 JFABRN CC(C)[C@@H](c1nnnn1Cc1ccccc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000008586211 562940841 /nfs/dbraw/zinc/94/08/41/562940841.db2.gz RDSGOKFDFSFIQW-DEOSSOPVSA-N 0 0 490.564 2.873 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000008586337 562940971 /nfs/dbraw/zinc/94/09/71/562940971.db2.gz NASXXXSLYNPCMT-UHFFFAOYSA-N 0 0 460.538 2.843 40 0 JFABRN COCCNC(=O)[C@@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1cccnc1 ZINC000008678314 562950764 /nfs/dbraw/zinc/95/07/64/562950764.db2.gz UXJIBAOCKSHNQY-XMMPIXPASA-N 0 0 458.522 2.672 40 0 JFABRN COc1cc(S(=O)(=O)NC[C@@H](C)NS(=O)(=O)c2ccc(Cl)c(OC)c2)ccc1Cl ZINC000054363267 569590206 /nfs/dbraw/zinc/59/02/06/569590206.db2.gz QSHFBUYXGNAGOR-LLVKDONJSA-N 0 0 483.395 2.656 40 0 JFABRN CSc1ccc([C@H]2NC3=NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 ZINC000059623411 569607225 /nfs/dbraw/zinc/60/72/25/569607225.db2.gz CPQFQXWXUNEHCC-QFIPXVFZSA-N 0 0 463.611 2.634 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CCO)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000033623432 569628972 /nfs/dbraw/zinc/62/89/72/569628972.db2.gz LUZKKQHWZWFTDU-UHFFFAOYSA-N 0 0 452.532 2.818 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(OC)c3O[C@@H](C)C(=O)OC)C2=O)o1 ZINC000033783241 569634749 /nfs/dbraw/zinc/63/47/49/569634749.db2.gz PVUYRIZWUJOZHL-LWHXSLQUSA-N 0 0 492.868 2.761 40 0 JFABRN CCC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937375 569639131 /nfs/dbraw/zinc/63/91/31/569639131.db2.gz JIAFFONCMGSOOU-IFMALSPDSA-N 0 0 454.575 2.728 40 0 JFABRN CCOC(=O)COc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC ZINC000034835353 569664990 /nfs/dbraw/zinc/66/49/90/569664990.db2.gz VWAYKKYOTUCZSN-NVNXTCNLSA-N 0 0 492.868 2.763 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC)c(I)c3)C2=O)o1 ZINC000034881293 569668839 /nfs/dbraw/zinc/66/88/39/569668839.db2.gz GBZWNXKRBRUDCA-JYRVWZFOSA-N 0 0 482.230 2.772 40 0 JFABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)cc1 ZINC000034890811 569669364 /nfs/dbraw/zinc/66/93/64/569669364.db2.gz NPGHOZDGUFUXDW-QGZVFWFLSA-N 0 0 475.958 2.671 40 0 JFABRN CC[C@@H](C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000034896200 569669494 /nfs/dbraw/zinc/66/94/94/569669494.db2.gz GCGXDDSCSZNIEQ-SWWFSWNPSA-N 0 0 477.627 2.565 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 ZINC000069525642 569693186 /nfs/dbraw/zinc/69/31/86/569693186.db2.gz JHTUYMFJRBBJIM-HNNXBMFYSA-N 0 0 494.953 2.953 40 0 JFABRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000070691532 569695686 /nfs/dbraw/zinc/69/56/86/569695686.db2.gz JASYOPOIUHUBJK-NRTBXNIMSA-N 0 0 464.643 2.850 40 0 biogenic JFABRN CC(C)(C)N1C(=O)[C@H]2[C@@H]([C@H](O)c3ccc(Cl)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000035808803 569712236 /nfs/dbraw/zinc/71/22/36/569712236.db2.gz OHOFGOANDVJBSY-BERAWNTRSA-N 0 0 471.916 2.732 40 0 JFABRN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000035829934 569713158 /nfs/dbraw/zinc/71/31/58/569713158.db2.gz VWQFHLSYXDDIMQ-FLFXDLLNSA-N 0 0 465.893 2.558 40 0 JFABRN CCOc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)n(C)c2=O)cc(Br)c1OC ZINC000097992408 569748687 /nfs/dbraw/zinc/74/86/87/569748687.db2.gz CFZGAKNSAZQDSX-OMRAMHMRSA-N 0 0 454.386 2.841 40 0 JFABRN COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000100421468 569759829 /nfs/dbraw/zinc/75/98/29/569759829.db2.gz OZRQGFYSBQVKDI-HULNYRCFSA-N 0 0 484.574 2.819 40 0 JFABRN COc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)n(C)c21 ZINC000100846705 569772290 /nfs/dbraw/zinc/77/22/90/569772290.db2.gz XQKJTDBGZLMOSF-MJXMKJBZSA-N 0 0 475.592 2.787 40 0 JFABRN C[C@@H](NC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000101484800 569799427 /nfs/dbraw/zinc/79/94/27/569799427.db2.gz PGXJGSHBNPNMPF-GGPKGHCWSA-N 0 0 475.586 2.904 40 0 JFABRN C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)N1CCCCC1 ZINC000101488366 569799507 /nfs/dbraw/zinc/79/95/07/569799507.db2.gz WKWUSGPKIORCPV-OKZBNKHCSA-N 0 0 470.035 2.942 40 0 JFABRN C[C@H](NC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1ccccc1 ZINC000101489005 569799531 /nfs/dbraw/zinc/79/95/31/569799531.db2.gz PZIRYQMVBUHIEU-IRFCIJBXSA-N 0 0 457.596 2.765 40 0 JFABRN O=C(COc1ccc([C@H]2CC(=O)N=C3NC=NN32)cc1)Nc1ccc(Br)cc1F ZINC000038282595 569801292 /nfs/dbraw/zinc/80/12/92/569801292.db2.gz QJLJHJKCYNLRMU-MRXNPFEDSA-N 0 0 460.263 2.782 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c(Cl)c1 ZINC000038754658 569806813 /nfs/dbraw/zinc/80/68/13/569806813.db2.gz FRBHKEGECLOERB-UHFFFAOYSA-N 0 0 457.911 2.907 40 0 JFABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(C)(=O)=O ZINC000038755501 569807100 /nfs/dbraw/zinc/80/71/00/569807100.db2.gz FDOGYZPOPNLQNH-UHFFFAOYSA-N 0 0 451.932 2.880 40 0 JFABRN O=C1C[C@H](c2cccc(Cl)c2)Cc2c1cnc1nc(NCCN3CCOCC3)[nH]c(=O)c12 ZINC000038829511 569808424 /nfs/dbraw/zinc/80/84/24/569808424.db2.gz JTIONIYMNBQTNC-OAHLLOKOSA-N 0 0 453.930 2.628 40 0 JFABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038854433 569808857 /nfs/dbraw/zinc/80/88/57/569808857.db2.gz LKHHJZGGQVCFLR-SFHVURJKSA-N 0 0 451.932 2.644 40 0 JFABRN CCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1cc(C)ccc1OC ZINC000039986069 569813142 /nfs/dbraw/zinc/81/31/42/569813142.db2.gz MTYXQNNOBVWEJV-DHZHZOJOSA-N 0 0 471.623 2.872 40 0 JFABRN COCc1nn2c(nnc3c2ccn(NC(=O)COc2ccccc2)c3=O)c1-c1ccc(F)cc1 ZINC000040392263 569825314 /nfs/dbraw/zinc/82/53/14/569825314.db2.gz GLQWPWJVVBSWHC-UHFFFAOYSA-N 0 0 474.452 2.541 40 0 JFABRN COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000044802670 569839186 /nfs/dbraw/zinc/83/91/86/569839186.db2.gz ZMOUCWXWEWCTBI-UHFFFAOYSA-N 0 0 455.536 2.919 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3O[C@H](C)C(=O)OC)C2=O)o1 ZINC000108289753 569859488 /nfs/dbraw/zinc/85/94/88/569859488.db2.gz YBISVQXTLZKXDZ-PDICVPPASA-N 0 0 462.842 2.753 40 0 JFABRN CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1nc(C)cs1 ZINC000109019789 569860302 /nfs/dbraw/zinc/86/03/02/569860302.db2.gz YXWUBXCEHJGCMV-UHFFFAOYSA-N 0 0 460.585 2.775 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(O)c(OC)c3)C2=O)o1 ZINC000109614915 569860573 /nfs/dbraw/zinc/86/05/73/569860573.db2.gz GTOWXCHQPHKHPV-SDQBBNPISA-N 0 0 451.229 2.636 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000113941990 569862550 /nfs/dbraw/zinc/86/25/50/569862550.db2.gz ZUUFPVYGUXFZKZ-UHFFFAOYSA-N 0 0 457.552 2.504 40 0 JFABRN Cc1c(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000113964850 569862644 /nfs/dbraw/zinc/86/26/44/569862644.db2.gz PEEQPZZOKCXBDO-UHFFFAOYSA-N 0 0 460.531 2.808 40 0 JFABRN CSCC[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(=O)Nc1ccccc1F ZINC000136569856 569864653 /nfs/dbraw/zinc/86/46/53/569864653.db2.gz YUZDNKKDENIRFC-FCEWJHQRSA-N 0 0 458.559 2.877 40 0 JFABRN CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000136582108 569864667 /nfs/dbraw/zinc/86/46/67/569864667.db2.gz CHOGDCRJNDVTJI-BDTNDASRSA-N 0 0 450.583 2.895 40 0 JFABRN COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)c(OC)c1 ZINC000138541324 569865879 /nfs/dbraw/zinc/86/58/79/569865879.db2.gz XKAXCKQKVXMHTK-CYBMUJFWSA-N 0 0 462.886 2.901 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)c1 ZINC000138582068 569865999 /nfs/dbraw/zinc/86/59/99/569865999.db2.gz FNUKXAHIDFBPHH-INIZCTEOSA-N 0 0 488.338 2.741 40 0 JFABRN C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC000138711558 569866291 /nfs/dbraw/zinc/86/62/91/569866291.db2.gz SWRBLJYPKRDBDT-XJKSGUPXSA-N 0 0 478.332 2.907 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 ZINC000138850189 569866503 /nfs/dbraw/zinc/86/65/03/569866503.db2.gz NGWMEGBFVDUQEL-LJQANCHMSA-N 0 0 496.516 2.963 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 ZINC000138850274 569866505 /nfs/dbraw/zinc/86/65/05/569866505.db2.gz NGWMEGBFVDUQEL-IBGZPJMESA-N 0 0 496.516 2.963 40 0 JFABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@@H](C)C3)[nH]c(=O)c21 ZINC000139074194 569866988 /nfs/dbraw/zinc/86/69/88/569866988.db2.gz UYOVUKWBGPHMJY-YRGRVCCFSA-N 0 0 459.934 2.979 40 0 JFABRN COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1=O ZINC000139117011 569867173 /nfs/dbraw/zinc/86/71/73/569867173.db2.gz LACQJUCZJAYNHB-GFCCVEGCSA-N 0 0 480.304 2.677 40 0 JFABRN CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC ZINC000214666090 569876881 /nfs/dbraw/zinc/87/68/81/569876881.db2.gz FVHJQKFRFVVKFE-XNTDXEJSSA-N 0 0 485.356 2.752 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC(C)(C)C)c1ccccc1F ZINC000216284306 569878160 /nfs/dbraw/zinc/87/81/60/569878160.db2.gz RJEONSDTCIFUHO-UHFFFAOYSA-N 0 0 450.536 2.606 40 0 JFABRN COC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000216379183 569878565 /nfs/dbraw/zinc/87/85/65/569878565.db2.gz YAZUPGDFFSQUGY-UHFFFAOYSA-N 0 0 477.410 2.947 40 0 JFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c(OC)c1OC ZINC000216398735 569878707 /nfs/dbraw/zinc/87/87/07/569878707.db2.gz BRRDHWQNBXXLHO-UHFFFAOYSA-N 0 0 480.558 2.710 40 0 JFABRN CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218166865 569882910 /nfs/dbraw/zinc/88/29/10/569882910.db2.gz XNFRXDBJEXUFMX-PMACEKPBSA-N 0 0 460.504 2.776 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000222371335 569883972 /nfs/dbraw/zinc/88/39/72/569883972.db2.gz VLWOAJCLSNRFLX-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222393172 569884092 /nfs/dbraw/zinc/88/40/92/569884092.db2.gz JQJDLMOEGQVSFM-QHCPKHFHSA-N 0 0 488.654 2.940 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222414932 569884156 /nfs/dbraw/zinc/88/41/56/569884156.db2.gz BXOOXABWHLSXPC-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222415679 569884188 /nfs/dbraw/zinc/88/41/88/569884188.db2.gz OZQYMCYBILBWTD-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222423064 569884201 /nfs/dbraw/zinc/88/42/01/569884201.db2.gz KLGFRXALLSVADV-OAHLLOKOSA-N 0 0 469.966 2.717 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222459007 569884410 /nfs/dbraw/zinc/88/44/10/569884410.db2.gz QAVGVDPYQDGZNH-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222483565 569884712 /nfs/dbraw/zinc/88/47/12/569884712.db2.gz WEIOXSFUDCCQBB-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222485064 569884767 /nfs/dbraw/zinc/88/47/67/569884767.db2.gz FCXOCLFPFMLZGD-KRWDZBQOSA-N 0 0 481.565 2.983 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222506039 569884972 /nfs/dbraw/zinc/88/49/72/569884972.db2.gz IJRYEQCLAWSGIO-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222504982 569884984 /nfs/dbraw/zinc/88/49/84/569884984.db2.gz VBFWTARWOCYUAL-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222552404 569885654 /nfs/dbraw/zinc/88/56/54/569885654.db2.gz GDWSBGWREGYVPK-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000222574607 569886067 /nfs/dbraw/zinc/88/60/67/569886067.db2.gz GWZMQGGEAGNPPH-FUHWJXTLSA-N 0 0 462.568 2.991 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000222605957 569886855 /nfs/dbraw/zinc/88/68/55/569886855.db2.gz MVHXQWOCXKEJML-KRWDZBQOSA-N 0 0 471.554 2.908 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222618212 569887071 /nfs/dbraw/zinc/88/70/71/569887071.db2.gz NDCPDKBECBZNBJ-INIZCTEOSA-N 0 0 467.538 2.674 40 0 JFABRN CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 ZINC000222625425 569887206 /nfs/dbraw/zinc/88/72/06/569887206.db2.gz NXWHKDHZOUVJRT-KRWDZBQOSA-N 0 0 466.556 2.609 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2c(OC)cccc2OC)C1 ZINC000222623017 569887210 /nfs/dbraw/zinc/88/72/10/569887210.db2.gz VXJXXDLUCKCPKA-OAHLLOKOSA-N 0 0 466.531 2.569 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(I)cc1 ZINC000222627386 569887250 /nfs/dbraw/zinc/88/72/50/569887250.db2.gz AOEORLVTCNMMPU-CYBMUJFWSA-N 0 0 470.282 2.972 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000222641639 569887548 /nfs/dbraw/zinc/88/75/48/569887548.db2.gz WBBKGZJCUNIXTB-QGZVFWFLSA-N 0 0 463.575 2.924 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000222640721 569887579 /nfs/dbraw/zinc/88/75/79/569887579.db2.gz QNCKAEOVJOUESP-SFHVURJKSA-N 0 0 475.611 2.793 40 0 JFABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000222643941 569887661 /nfs/dbraw/zinc/88/76/61/569887661.db2.gz DTSUWVGLXVLUDS-CYBMUJFWSA-N 0 0 464.931 2.870 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222648583 569887744 /nfs/dbraw/zinc/88/77/44/569887744.db2.gz DPKMYZQAIUZHLC-FQEVSTJZSA-N 0 0 489.569 2.692 40 0 JFABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl ZINC000222669318 569888117 /nfs/dbraw/zinc/88/81/17/569888117.db2.gz DGDCITWFMSDJSW-ZDUSSCGKSA-N 0 0 454.932 2.763 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222698223 569888864 /nfs/dbraw/zinc/88/88/64/569888864.db2.gz KCPPBGSMOWKNFU-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN C[C@H](C(=O)NCc1ccncc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222707818 569889221 /nfs/dbraw/zinc/88/92/21/569889221.db2.gz HPINZIQGTDWGQK-OAQYLSRUSA-N 0 0 494.617 2.577 40 0 JFABRN C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222707757 569889234 /nfs/dbraw/zinc/88/92/34/569889234.db2.gz HPINZIQGTDWGQK-NRFANRHFSA-N 0 0 494.617 2.577 40 0 JFABRN C[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc2c(c1)OCCO2 ZINC000222713626 569889343 /nfs/dbraw/zinc/88/93/43/569889343.db2.gz BKGIACOSFBGUIV-BLVKFPJESA-N 0 0 452.916 2.516 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000222715793 569889410 /nfs/dbraw/zinc/88/94/10/569889410.db2.gz CBUPJJSNOXJHKV-UHFFFAOYSA-N 0 0 457.483 2.672 40 0 JFABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000222721120 569889507 /nfs/dbraw/zinc/88/95/07/569889507.db2.gz PLQXAWROLJKMMJ-UHFFFAOYSA-N 0 0 480.583 2.828 40 0 JFABRN C[C@@H](NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222729813 569889705 /nfs/dbraw/zinc/88/97/05/569889705.db2.gz GMFGHXDYSNCLBQ-MRXNPFEDSA-N 0 0 476.551 2.653 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C ZINC000222761436 569890465 /nfs/dbraw/zinc/89/04/65/569890465.db2.gz ULXHUUFQZXNSNT-UHFFFAOYSA-N 0 0 497.639 2.506 40 0 JFABRN COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C ZINC000222781850 569890936 /nfs/dbraw/zinc/89/09/36/569890936.db2.gz ULPUFODJMRCULB-UHFFFAOYSA-N 0 0 462.568 2.882 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000222788991 569891088 /nfs/dbraw/zinc/89/10/88/569891088.db2.gz CHUSYBWNAHQBST-UHFFFAOYSA-N 0 0 480.583 2.747 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000222798231 569891299 /nfs/dbraw/zinc/89/12/99/569891299.db2.gz SHZHEWASTNOVCR-UHFFFAOYSA-N 0 0 458.580 2.958 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000222815533 569891783 /nfs/dbraw/zinc/89/17/83/569891783.db2.gz MFDOTTSAGRTIAD-SFHVURJKSA-N 0 0 475.611 2.748 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2c(OC)cccc2OC)c(C)c1 ZINC000222816505 569891806 /nfs/dbraw/zinc/89/18/06/569891806.db2.gz KOEKNSOTCNQHDM-UHFFFAOYSA-N 0 0 450.557 2.738 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000222815480 569891811 /nfs/dbraw/zinc/89/18/11/569891811.db2.gz MFDOTTSAGRTIAD-GOSISDBHSA-N 0 0 475.611 2.748 40 0 JFABRN CN(Cc1ccccc1F)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl ZINC000222830144 569892140 /nfs/dbraw/zinc/89/21/40/569892140.db2.gz YLKGZJFYUJKJLA-UHFFFAOYSA-N 0 0 456.923 2.537 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222838017 569892348 /nfs/dbraw/zinc/89/23/48/569892348.db2.gz IJFZCAVTMJSEES-BHIFYINESA-N 0 0 469.582 2.668 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000222840383 569892398 /nfs/dbraw/zinc/89/23/98/569892398.db2.gz KNHQEDVCDYDQNU-GOSISDBHSA-N 0 0 475.611 2.748 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222843607 569892505 /nfs/dbraw/zinc/89/25/05/569892505.db2.gz WVZHENJFZSYENY-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000222864654 569893028 /nfs/dbraw/zinc/89/30/28/569893028.db2.gz FYOMKQADLGKIHS-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 ZINC000222870093 569893162 /nfs/dbraw/zinc/89/31/62/569893162.db2.gz RCSPZASXCZUKRA-UHFFFAOYSA-N 0 0 467.613 2.551 40 0 JFABRN COc1cc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c(OC)cc1Cl ZINC000222883784 569893502 /nfs/dbraw/zinc/89/35/02/569893502.db2.gz JJAUFBMBMKNQFI-UHFFFAOYSA-N 0 0 498.985 2.958 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2O1 ZINC000222889432 569893695 /nfs/dbraw/zinc/89/36/95/569893695.db2.gz WWLZHLKKBHFJMJ-JOCHJYFZSA-N 0 0 472.563 2.761 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222891023 569893708 /nfs/dbraw/zinc/89/37/08/569893708.db2.gz ZZTXGIHGPLIHKR-QGZVFWFLSA-N 0 0 466.003 2.620 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222904115 569893980 /nfs/dbraw/zinc/89/39/80/569893980.db2.gz BBZVDGDIJFTGLW-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000222912342 569894219 /nfs/dbraw/zinc/89/42/19/569894219.db2.gz RKBZLZBGQBZADU-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCCNS(=O)(=O)c1cc(C(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)ccc1OC ZINC000222920567 569894432 /nfs/dbraw/zinc/89/44/32/569894432.db2.gz PDKOQNJWTIQKTN-UHFFFAOYSA-N 0 0 466.556 2.682 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222937521 569894923 /nfs/dbraw/zinc/89/49/23/569894923.db2.gz ROVHGWLOHDRYSA-SFHVURJKSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222938430 569894986 /nfs/dbraw/zinc/89/49/86/569894986.db2.gz SWBTWJJFTGYODZ-IBGZPJMESA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222951076 569895271 /nfs/dbraw/zinc/89/52/71/569895271.db2.gz ZUWXFDIVZTZGLL-OAQYLSRUSA-N 0 0 463.575 2.925 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000222953953 569895334 /nfs/dbraw/zinc/89/53/34/569895334.db2.gz UACUDLZPFSFIKQ-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN Cc1nccn1-c1ccccc1CNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222957884 569895473 /nfs/dbraw/zinc/89/54/73/569895473.db2.gz SREIMHVEOPZOJV-UHFFFAOYSA-N 0 0 484.578 2.815 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000222960894 569895498 /nfs/dbraw/zinc/89/54/98/569895498.db2.gz AWZNUPSZZHATFY-KRWDZBQOSA-N 0 0 463.575 2.708 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222960407 569895504 /nfs/dbraw/zinc/89/55/04/569895504.db2.gz WZKBCGAAPWSMKE-JOCHJYFZSA-N 0 0 475.611 2.795 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222962581 569895565 /nfs/dbraw/zinc/89/55/65/569895565.db2.gz WRAVZLKWNOOGGY-SFHVURJKSA-N 0 0 487.622 2.622 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222962520 569895570 /nfs/dbraw/zinc/89/55/70/569895570.db2.gz WRAVZLKWNOOGGY-GOSISDBHSA-N 0 0 487.622 2.622 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222974607 569895866 /nfs/dbraw/zinc/89/58/66/569895866.db2.gz XQHDOUKRWCWTOE-IBGZPJMESA-N 0 0 487.622 2.989 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000222975115 569895893 /nfs/dbraw/zinc/89/58/93/569895893.db2.gz UHMFHQZFVOVCRE-SFHVURJKSA-N 0 0 463.575 2.925 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222981330 569896060 /nfs/dbraw/zinc/89/60/60/569896060.db2.gz GPNXXDHJBYKXBS-QFIPXVFZSA-N 0 0 459.612 2.931 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)NC)S(C)(=O)=O ZINC000222982888 569896073 /nfs/dbraw/zinc/89/60/73/569896073.db2.gz VFHVVHUHGYEMCU-FQEVSTJZSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222984959 569896153 /nfs/dbraw/zinc/89/61/53/569896153.db2.gz YKZYZJLHRBXSGK-FQEVSTJZSA-N 0 0 496.029 2.976 40 0 JFABRN COc1cccc(CCCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000222996877 569896537 /nfs/dbraw/zinc/89/65/37/569896537.db2.gz UKDXBPIFZFZNDI-UHFFFAOYSA-N 0 0 462.568 2.762 40 0 JFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223008930 569896673 /nfs/dbraw/zinc/89/66/73/569896673.db2.gz KTJMTFWKXKYRHK-VWLOTQADSA-N 0 0 493.629 2.834 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223032959 569897348 /nfs/dbraw/zinc/89/73/48/569897348.db2.gz JPYQFQYWRPEFNR-FCEUIQTBSA-N 0 0 453.583 2.970 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223033167 569897448 /nfs/dbraw/zinc/89/74/48/569897448.db2.gz HEIFPZIGYQPZHW-NRFANRHFSA-N 0 0 459.612 2.931 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223036791 569897466 /nfs/dbraw/zinc/89/74/66/569897466.db2.gz IALHUAMCGXHHMB-IBGZPJMESA-N 0 0 485.606 2.863 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223054397 569897925 /nfs/dbraw/zinc/89/79/25/569897925.db2.gz PJRSEODIIUHCPL-CVEARBPZSA-N 0 0 491.997 2.817 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCSCc1ccccc1F ZINC000223070346 569898528 /nfs/dbraw/zinc/89/85/28/569898528.db2.gz UESFSOKVAHEVJY-UHFFFAOYSA-N 0 0 496.626 2.837 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223074708 569898645 /nfs/dbraw/zinc/89/86/45/569898645.db2.gz VAFKKZWXZGTCLW-NRFANRHFSA-N 0 0 488.654 2.941 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223076031 569898690 /nfs/dbraw/zinc/89/86/90/569898690.db2.gz PKXUEADMFZSFKR-FQEVSTJZSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223076092 569898701 /nfs/dbraw/zinc/89/87/01/569898701.db2.gz PKXUEADMFZSFKR-HXUWFJFHSA-N 0 0 466.003 2.968 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223076221 569898759 /nfs/dbraw/zinc/89/87/59/569898759.db2.gz QEHAQBHPHPTSSA-KRWDZBQOSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223078136 569898784 /nfs/dbraw/zinc/89/87/84/569898784.db2.gz MLTSERXKJGRCPH-FQEVSTJZSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223079742 569898857 /nfs/dbraw/zinc/89/88/57/569898857.db2.gz BQSFSZXGAJFCBA-NRFANRHFSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223086073 569899046 /nfs/dbraw/zinc/89/90/46/569899046.db2.gz ZYJGDKWQSJPPMF-QFIPXVFZSA-N 0 0 473.595 2.517 40 0 JFABRN COc1ccccc1N(CCCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O ZINC000223096794 569899291 /nfs/dbraw/zinc/89/92/91/569899291.db2.gz KGZXTWVAUVMWDR-SFHVURJKSA-N 0 0 489.594 2.789 40 0 JFABRN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccc(N4CC[NH+](C)CC4)cc3)s2)c1 ZINC000223095989 569899318 /nfs/dbraw/zinc/89/93/18/569899318.db2.gz KPNZNZXXKQVOHN-UHFFFAOYSA-N 0 0 472.596 2.651 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223113539 569899801 /nfs/dbraw/zinc/89/98/01/569899801.db2.gz NHFYCVQRUQXBLI-GOSISDBHSA-N 0 0 477.602 2.966 40 0 JFABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223114350 569899805 /nfs/dbraw/zinc/89/98/05/569899805.db2.gz AOEIQEOHBOTJRI-NRFANRHFSA-N 0 0 480.030 2.698 40 0 JFABRN COc1cc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c(OC)cc1Cl ZINC000223114296 569899812 /nfs/dbraw/zinc/89/98/12/569899812.db2.gz AQVPBGVASBNYFA-UHFFFAOYSA-N 0 0 497.013 2.988 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223120474 569900053 /nfs/dbraw/zinc/90/00/53/569900053.db2.gz XKPIMKKZDHJULH-HXUWFJFHSA-N 0 0 466.003 2.968 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223126376 569900257 /nfs/dbraw/zinc/90/02/57/569900257.db2.gz BDHGOLCTRLOMNI-GOSISDBHSA-N 0 0 485.606 2.596 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223136079 569900675 /nfs/dbraw/zinc/90/06/75/569900675.db2.gz DEKAOUUEYVBBFM-IBGZPJMESA-N 0 0 485.606 2.863 40 0 JFABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000223140294 569900911 /nfs/dbraw/zinc/90/09/11/569900911.db2.gz DDMJOSRKMOKWNB-ZDUSSCGKSA-N 0 0 464.931 2.870 40 0 JFABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 ZINC000223165333 569901692 /nfs/dbraw/zinc/90/16/92/569901692.db2.gz ITUGTMKNLXJXJG-BJKOFHAPSA-N 0 0 491.617 2.964 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223168342 569901823 /nfs/dbraw/zinc/90/18/23/569901823.db2.gz XXCMSDAQXUBDBT-LJQANCHMSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 ZINC000223198013 569903144 /nfs/dbraw/zinc/90/31/44/569903144.db2.gz LQGLSHITAGBSHU-FQEVSTJZSA-N 0 0 488.566 2.957 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223209636 569903584 /nfs/dbraw/zinc/90/35/84/569903584.db2.gz FBCNLRMLYJIQSK-FQEVSTJZSA-N 0 0 463.575 2.762 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223210519 569903605 /nfs/dbraw/zinc/90/36/05/569903605.db2.gz PEJKJYUINYULOR-IBGZPJMESA-N 0 0 469.966 2.799 40 0 JFABRN CN([C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1)S(C)(=O)=O ZINC000223255151 569905099 /nfs/dbraw/zinc/90/50/99/569905099.db2.gz VMFNAQOEZIBRTL-OAQYLSRUSA-N 0 0 479.624 2.823 40 0 JFABRN COc1ccc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc2c1 ZINC000223260291 569905237 /nfs/dbraw/zinc/90/52/37/569905237.db2.gz BUTFHQIKAKLNLJ-UHFFFAOYSA-N 0 0 460.577 2.852 40 0 JFABRN COc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000223315219 569907149 /nfs/dbraw/zinc/90/71/49/569907149.db2.gz KYUSVFZRJIYREG-KRWDZBQOSA-N 0 0 450.557 2.834 40 0 JFABRN CN(CCCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1 ZINC000223319977 569907447 /nfs/dbraw/zinc/90/74/47/569907447.db2.gz FMIHSCJIDCWCJC-UHFFFAOYSA-N 0 0 461.584 2.647 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000223338785 569907976 /nfs/dbraw/zinc/90/79/76/569907976.db2.gz ITNCDOPGLOREMB-GOSISDBHSA-N 0 0 480.539 2.682 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1C(=O)N1CCOCC1 ZINC000223372256 569909204 /nfs/dbraw/zinc/90/92/04/569909204.db2.gz WRHYNMDNQCSENY-UHFFFAOYSA-N 0 0 458.458 2.665 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223388078 569909567 /nfs/dbraw/zinc/90/95/67/569909567.db2.gz UXIGAVHEPWOQES-FQEVSTJZSA-N 0 0 482.002 2.668 40 0 JFABRN Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000223391896 569909664 /nfs/dbraw/zinc/90/96/64/569909664.db2.gz GTSSZMVBOVCPAC-UHFFFAOYSA-N 0 0 457.596 2.618 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000223390243 569909687 /nfs/dbraw/zinc/90/96/87/569909687.db2.gz QWUQDTLQQVFKHK-HXUWFJFHSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223402365 569909973 /nfs/dbraw/zinc/90/99/73/569909973.db2.gz YLIWHCKHYIEECW-QFIPXVFZSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223410408 569910405 /nfs/dbraw/zinc/91/04/05/569910405.db2.gz SXBAZJZPJLSDSL-QFIPXVFZSA-N 0 0 475.611 2.649 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223440900 569911487 /nfs/dbraw/zinc/91/14/87/569911487.db2.gz LROVYXMIWBLIMV-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223453158 569911805 /nfs/dbraw/zinc/91/18/05/569911805.db2.gz BQGPOWOWBLSULA-FQEVSTJZSA-N 0 0 482.002 2.523 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223453503 569911871 /nfs/dbraw/zinc/91/18/71/569911871.db2.gz JNBIFQYPXUPIMY-JOCHJYFZSA-N 0 0 475.611 2.649 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223494269 569913407 /nfs/dbraw/zinc/91/34/07/569913407.db2.gz FRFYGWJLXZSJFJ-QFIPXVFZSA-N 0 0 459.612 2.829 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)CCc3cc(S(=O)(=O)N(C)C)ccc3OC)n2)cc1 ZINC000223496529 569913532 /nfs/dbraw/zinc/91/35/32/569913532.db2.gz XHJZPZYXPMJLHT-UHFFFAOYSA-N 0 0 488.566 2.595 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223521758 569914478 /nfs/dbraw/zinc/91/44/78/569914478.db2.gz AZPGWQVOJUVMLV-MRXNPFEDSA-N 0 0 496.427 2.769 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223521057 569914419 /nfs/dbraw/zinc/91/44/19/569914419.db2.gz BEFAEMNTEQBOGZ-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223521199 569914492 /nfs/dbraw/zinc/91/44/92/569914492.db2.gz LIMHQDXFBCUSOV-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223532159 569914810 /nfs/dbraw/zinc/91/48/10/569914810.db2.gz DKSHBWSCQVRTHZ-IBGZPJMESA-N 0 0 477.602 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223532307 569914812 /nfs/dbraw/zinc/91/48/12/569914812.db2.gz XTMQTOZNUFQFDQ-SFHVURJKSA-N 0 0 489.594 2.515 40 0 JFABRN C[C@H](C(=O)NCCOc1cccc2ccccc21)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223536700 569915011 /nfs/dbraw/zinc/91/50/11/569915011.db2.gz ZTIXDSVGKIJMQE-QGZVFWFLSA-N 0 0 470.547 2.961 40 0 JFABRN C[C@@H](C(=O)NCCOc1cccc2ccccc21)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223536644 569915022 /nfs/dbraw/zinc/91/50/22/569915022.db2.gz ZTIXDSVGKIJMQE-KRWDZBQOSA-N 0 0 470.547 2.961 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223553338 569915703 /nfs/dbraw/zinc/91/57/03/569915703.db2.gz AMIBHBCPPYGGGA-LJQANCHMSA-N 0 0 485.606 2.597 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223562522 569916213 /nfs/dbraw/zinc/91/62/13/569916213.db2.gz PSXPEASXGASFLL-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223563450 569916254 /nfs/dbraw/zinc/91/62/54/569916254.db2.gz HRFNPAOXFRHFSL-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223563684 569916261 /nfs/dbraw/zinc/91/62/61/569916261.db2.gz IIKGJTXKUDPJDF-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223571284 569916452 /nfs/dbraw/zinc/91/64/52/569916452.db2.gz DLGZSVBJQHVNFY-LJQANCHMSA-N 0 0 459.612 2.877 40 0 JFABRN COc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c(OC)c1 ZINC000223592048 569917132 /nfs/dbraw/zinc/91/71/32/569917132.db2.gz AHXIRIDDJFNZLF-UHFFFAOYSA-N 0 0 458.536 2.818 40 0 JFABRN COc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)c1 ZINC000223592900 569917171 /nfs/dbraw/zinc/91/71/71/569917171.db2.gz PWCZTXJPDCBQSA-FQEVSTJZSA-N 0 0 489.594 2.789 40 0 JFABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223600680 569917434 /nfs/dbraw/zinc/91/74/34/569917434.db2.gz YIBQNZGGNRBNBM-NRFANRHFSA-N 0 0 485.606 2.945 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1C(=O)N1CCOCC1 ZINC000223605378 569917620 /nfs/dbraw/zinc/91/76/20/569917620.db2.gz VITUMCLLDKGASR-UHFFFAOYSA-N 0 0 470.547 2.678 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223608231 569917712 /nfs/dbraw/zinc/91/77/12/569917712.db2.gz IHHZXOXVRJWOJD-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223609193 569917776 /nfs/dbraw/zinc/91/77/76/569917776.db2.gz VBFJRVAZYVQFGC-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CSc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3C)no2)cc1C(=O)N1CCOCC1 ZINC000223610635 569917850 /nfs/dbraw/zinc/91/78/50/569917850.db2.gz USFNYGHTSJLJIH-UHFFFAOYSA-N 0 0 488.591 2.718 40 0 JFABRN CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)n2)cc1 ZINC000223619495 569918110 /nfs/dbraw/zinc/91/81/10/569918110.db2.gz DOYHQXPLMZHLRF-UHFFFAOYSA-N 0 0 456.524 2.913 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1N1C(=O)CCC1=O ZINC000223643640 569918772 /nfs/dbraw/zinc/91/87/72/569918772.db2.gz PYYBEEUXOQHOCD-UHFFFAOYSA-N 0 0 454.504 2.859 40 0 JFABRN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000223650477 569918905 /nfs/dbraw/zinc/91/89/05/569918905.db2.gz FDKKUNCGMYLZEI-UHFFFAOYSA-N 0 0 459.612 2.729 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223652053 569918975 /nfs/dbraw/zinc/91/89/75/569918975.db2.gz NRVHPTKHROUABS-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223652134 569919023 /nfs/dbraw/zinc/91/90/23/569919023.db2.gz RYBZMMWEFJMHRM-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCCc1ccc(OCCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000223660610 569919324 /nfs/dbraw/zinc/91/93/24/569919324.db2.gz IOBFICLCNFGRKK-UHFFFAOYSA-N 0 0 450.557 2.618 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223676067 569919734 /nfs/dbraw/zinc/91/97/34/569919734.db2.gz QLWSPDRPFCRLGT-QGZVFWFLSA-N 0 0 466.003 2.822 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c1 ZINC000223679242 569919794 /nfs/dbraw/zinc/91/97/94/569919794.db2.gz LXWWQXVYTLZPBG-UHFFFAOYSA-N 0 0 464.584 2.963 40 0 JFABRN COc1cccc(N(CCCC(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)c1 ZINC000223697354 569920342 /nfs/dbraw/zinc/92/03/42/569920342.db2.gz JZOFARIHBMKQKZ-UHFFFAOYSA-N 0 0 461.584 2.599 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223709938 569920752 /nfs/dbraw/zinc/92/07/52/569920752.db2.gz OVXPRHNBMIBCNJ-QGZVFWFLSA-N 0 0 481.018 2.506 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccc(C)cc4O3)s2)cc1 ZINC000223735504 569921595 /nfs/dbraw/zinc/92/15/95/569921595.db2.gz QUBJAZSPENSQOT-KRWDZBQOSA-N 0 0 460.537 2.688 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223739920 569921727 /nfs/dbraw/zinc/92/17/27/569921727.db2.gz FYDJMFUUEOTXES-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223742927 569921867 /nfs/dbraw/zinc/92/18/67/569921867.db2.gz KCVSZIUXFLFWDP-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223750149 569922066 /nfs/dbraw/zinc/92/20/66/569922066.db2.gz CGFPZLUXGLIWKD-GOSISDBHSA-N 0 0 483.590 2.697 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223759913 569922385 /nfs/dbraw/zinc/92/23/85/569922385.db2.gz LLHXHAKMSOAILE-QGZVFWFLSA-N 0 0 466.003 2.822 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000223788405 569923356 /nfs/dbraw/zinc/92/33/56/569923356.db2.gz CZCKKXICFNJLAV-LJQANCHMSA-N 0 0 450.557 2.616 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223789139 569923370 /nfs/dbraw/zinc/92/33/70/569923370.db2.gz IUUJONKKVGMLGN-SFHVURJKSA-N 0 0 463.575 2.762 40 0 JFABRN Cc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223804457 569923877 /nfs/dbraw/zinc/92/38/77/569923877.db2.gz OVWPJVQMNGYROT-SFHVURJKSA-N 0 0 483.590 2.616 40 0 JFABRN CC(C)Sc1nnc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 ZINC000223847429 569924969 /nfs/dbraw/zinc/92/49/69/569924969.db2.gz SRQGTJRHVCWFFN-NSHDSACASA-N 0 0 458.587 2.603 40 0 JFABRN Cc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000223849942 569925017 /nfs/dbraw/zinc/92/50/17/569925017.db2.gz AJCCYRJQZASIBE-MRXNPFEDSA-N 0 0 450.582 2.674 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1I ZINC000223848537 569925057 /nfs/dbraw/zinc/92/50/57/569925057.db2.gz UOOLVRGTSWAXEQ-NSHDSACASA-N 0 0 495.360 2.743 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223860479 569925387 /nfs/dbraw/zinc/92/53/87/569925387.db2.gz JFNJBGNCZWFCAP-GOSISDBHSA-N 0 0 493.601 2.852 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223860061 569925434 /nfs/dbraw/zinc/92/54/34/569925434.db2.gz OKLATCQJVHFBTD-MRXNPFEDSA-N 0 0 467.538 2.674 40 0 JFABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000223859880 569925437 /nfs/dbraw/zinc/92/54/37/569925437.db2.gz MPJFDIWSLHTENA-IBGZPJMESA-N 0 0 492.663 2.942 40 0 JFABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000223863242 569925508 /nfs/dbraw/zinc/92/55/08/569925508.db2.gz KMTIDZQTIPPVHQ-LIRRHRJNSA-N 0 0 456.561 2.651 40 0 JFABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1 ZINC000223865643 569925543 /nfs/dbraw/zinc/92/55/43/569925543.db2.gz IYXMUDNLPMNGIF-GOSISDBHSA-N 0 0 478.636 2.818 40 0 JFABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000223866017 569925550 /nfs/dbraw/zinc/92/55/50/569925550.db2.gz XFTFGIOOXGGBOO-MRXNPFEDSA-N 0 0 482.599 2.648 40 0 JFABRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000223867323 569925625 /nfs/dbraw/zinc/92/56/25/569925625.db2.gz QDNVCILTQHUNII-SIKLNZKXSA-N 0 0 492.663 2.942 40 0 JFABRN COc1ccc(OCCNC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 ZINC000223869039 569925658 /nfs/dbraw/zinc/92/56/58/569925658.db2.gz FXZXJXYSBSJVOW-UHFFFAOYSA-N 0 0 471.373 2.727 40 0 JFABRN Cc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000223874824 569925868 /nfs/dbraw/zinc/92/58/68/569925868.db2.gz NSODJNNKUYBXJY-KRWDZBQOSA-N 0 0 452.598 2.822 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223880210 569926034 /nfs/dbraw/zinc/92/60/34/569926034.db2.gz WPYPHVCSQISWPB-KRWDZBQOSA-N 0 0 489.569 2.694 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223979179 569929261 /nfs/dbraw/zinc/92/92/61/569929261.db2.gz HKSDSUJRXPJABU-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223986799 569929552 /nfs/dbraw/zinc/92/95/52/569929552.db2.gz JVWYHNAHFLIXCB-GOSISDBHSA-N 0 0 475.611 2.577 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223989636 569929673 /nfs/dbraw/zinc/92/96/73/569929673.db2.gz ZRGDDLWYBUFMSQ-HNNXBMFYSA-N 0 0 499.992 2.807 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224001895 569930017 /nfs/dbraw/zinc/93/00/17/569930017.db2.gz IHGGAGBDDYDHNW-INIZCTEOSA-N 0 0 482.002 2.523 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000224017099 569930644 /nfs/dbraw/zinc/93/06/44/569930644.db2.gz KAHMABWZIBPTOL-QFIPXVFZSA-N 0 0 473.595 2.679 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224021853 569930824 /nfs/dbraw/zinc/93/08/24/569930824.db2.gz JHCCTZTWPXZAEN-GOSISDBHSA-N 0 0 475.611 2.577 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000224024421 569930937 /nfs/dbraw/zinc/93/09/37/569930937.db2.gz KZJSIDNVYWUGAT-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN Cc1ccc(C)c(OCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1 ZINC000224032794 569931287 /nfs/dbraw/zinc/93/12/87/569931287.db2.gz RZNAKRXQXNCYSG-UHFFFAOYSA-N 0 0 466.003 2.702 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224035005 569931347 /nfs/dbraw/zinc/93/13/47/569931347.db2.gz MBNTUFPWZQREHJ-OAHLLOKOSA-N 0 0 491.997 2.817 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224064402 569932099 /nfs/dbraw/zinc/93/20/99/569932099.db2.gz MDUKXCSSSBYQFD-IBGZPJMESA-N 0 0 459.612 2.611 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224087868 569932913 /nfs/dbraw/zinc/93/29/13/569932913.db2.gz UXNKNZSJCVXQLE-HXUWFJFHSA-N 0 0 489.638 2.837 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000224088367 569932941 /nfs/dbraw/zinc/93/29/41/569932941.db2.gz ODSDPGSYPKLLJB-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224098465 569933146 /nfs/dbraw/zinc/93/31/46/569933146.db2.gz YILPKVKZIYYFAJ-IBGZPJMESA-N 0 0 492.617 2.628 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3nnc(SC)s3)Oc3ccccc32)cc1 ZINC000224101514 569933202 /nfs/dbraw/zinc/93/32/02/569933202.db2.gz XSLBRUBLINIWTL-INIZCTEOSA-N 0 0 478.577 2.864 40 0 JFABRN O=C(NCCOc1ccccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000224105496 569933380 /nfs/dbraw/zinc/93/33/80/569933380.db2.gz ROALFOGZUNGBQP-UHFFFAOYSA-N 0 0 459.351 2.823 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000224108649 569933479 /nfs/dbraw/zinc/93/34/79/569933479.db2.gz NRBVWIBTLYPYOC-QFIPXVFZSA-N 0 0 475.611 2.795 40 0 JFABRN Cc1ccccc1CN(C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@@H](C)C(=O)NCC(C)C ZINC000224134663 569934141 /nfs/dbraw/zinc/93/41/41/569934141.db2.gz GBRLRCZQWAJGCT-ILWGZMRPSA-N 0 0 453.583 2.826 40 0 JFABRN Cc1ccccc1CN(C(=O)CCN1C(=O)c2ccccc2S1(=O)=O)[C@H](C)C(=O)NCC(C)C ZINC000224137498 569934175 /nfs/dbraw/zinc/93/41/75/569934175.db2.gz RYVPJZWZTYLVGS-LJQANCHMSA-N 0 0 485.606 2.719 40 0 JFABRN Cc1ccccc1CN(C(=O)CCN1C(=O)c2ccccc2S1(=O)=O)[C@@H](C)C(=O)NCC(C)C ZINC000224137442 569934189 /nfs/dbraw/zinc/93/41/89/569934189.db2.gz RYVPJZWZTYLVGS-IBGZPJMESA-N 0 0 485.606 2.719 40 0 JFABRN Cc1nccn1-c1ccc(CNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000224143293 569934397 /nfs/dbraw/zinc/93/43/97/569934397.db2.gz WFINJVLPNSZHGE-UHFFFAOYSA-N 0 0 484.578 2.815 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224153913 569934669 /nfs/dbraw/zinc/93/46/69/569934669.db2.gz BTWHRNHFTYHZJE-NRFANRHFSA-N 0 0 463.575 2.844 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224160134 569934938 /nfs/dbraw/zinc/93/49/38/569934938.db2.gz LWVUURNVDLJMSJ-NRFANRHFSA-N 0 0 463.575 2.844 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224161832 569934972 /nfs/dbraw/zinc/93/49/72/569934972.db2.gz SLIAYTASYVDSAW-QHCPKHFHSA-N 0 0 487.622 2.907 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224184819 569935625 /nfs/dbraw/zinc/93/56/25/569935625.db2.gz YBQNPMNXZXUKAJ-FQEVSTJZSA-N 0 0 459.612 2.951 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCOc1ccc(C)c(Cl)c1 ZINC000224188100 569935736 /nfs/dbraw/zinc/93/57/36/569935736.db2.gz IBIQTSWUPDPVNS-UHFFFAOYSA-N 0 0 497.013 2.806 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000224188653 569935812 /nfs/dbraw/zinc/93/58/12/569935812.db2.gz SLAUPEZEIFTNMJ-FQEVSTJZSA-N 0 0 488.566 2.957 40 0 JFABRN Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)c4ccccc4)s3)n2)c1 ZINC000224194024 569935880 /nfs/dbraw/zinc/93/58/80/569935880.db2.gz LLHQQBVDRJRGLL-UHFFFAOYSA-N 0 0 470.536 2.970 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224205880 569936446 /nfs/dbraw/zinc/93/64/46/569936446.db2.gz QXXXGEOQVVIUBZ-QHCPKHFHSA-N 0 0 487.622 2.907 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224225585 569937127 /nfs/dbraw/zinc/93/71/27/569937127.db2.gz VCXRPNDXTDWMET-MRXNPFEDSA-N 0 0 491.997 2.674 40 0 JFABRN Cc1cc(OCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)ccc1Br ZINC000224233887 569937438 /nfs/dbraw/zinc/93/74/38/569937438.db2.gz RPGRBAKPNLMESI-UHFFFAOYSA-N 0 0 471.373 2.582 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224292165 569939577 /nfs/dbraw/zinc/93/95/77/569939577.db2.gz BTIGHELEXCXGKA-KRWDZBQOSA-N 0 0 481.565 2.920 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224297006 569939649 /nfs/dbraw/zinc/93/96/49/569939649.db2.gz NCQPRLGQKIRSBL-KRWDZBQOSA-N 0 0 481.565 2.920 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224305544 569939887 /nfs/dbraw/zinc/93/98/87/569939887.db2.gz GUVCJEDIRZGLQC-IBGZPJMESA-N 0 0 477.602 2.944 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224308606 569940005 /nfs/dbraw/zinc/94/00/05/569940005.db2.gz NMWCTCDJDVBELO-KRWDZBQOSA-N 0 0 489.569 2.550 40 0 JFABRN O=S(=O)(Cc1cccc(Cl)c1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224310623 569940037 /nfs/dbraw/zinc/94/00/37/569940037.db2.gz PXZKGVNKFYFJTA-UHFFFAOYSA-N 0 0 458.989 2.623 40 0 JFABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224323608 569940553 /nfs/dbraw/zinc/94/05/53/569940553.db2.gz APQGKMVEBXGUGE-JOCHJYFZSA-N 0 0 462.568 2.832 40 0 JFABRN COc1cc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(OC)c1OC ZINC000224357379 569941850 /nfs/dbraw/zinc/94/18/50/569941850.db2.gz FWQOTGSNMMOAMW-UHFFFAOYSA-N 0 0 478.567 2.696 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224367352 569942193 /nfs/dbraw/zinc/94/21/93/569942193.db2.gz BAJUYVRWBKXRIA-NRFANRHFSA-N 0 0 479.574 2.544 40 0 JFABRN COc1ccccc1OCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000224385779 569942762 /nfs/dbraw/zinc/94/27/62/569942762.db2.gz GJHMZBBITMGKGV-OAQYLSRUSA-N 0 0 460.596 2.865 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224386690 569942833 /nfs/dbraw/zinc/94/28/33/569942833.db2.gz ZCEVDVPLTBYELV-HXUWFJFHSA-N 0 0 489.569 2.694 40 0 JFABRN COc1cccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 ZINC000224386200 569942835 /nfs/dbraw/zinc/94/28/35/569942835.db2.gz BMUYKYVTOHQPKM-OAQYLSRUSA-N 0 0 460.596 2.865 40 0 JFABRN Cc1ccc(CS(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000224387549 569942886 /nfs/dbraw/zinc/94/28/86/569942886.db2.gz WWQJCZAPQXZLMX-UHFFFAOYSA-N 0 0 452.598 2.668 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)COc1ccc(C)c(C)c1 ZINC000224414272 569943875 /nfs/dbraw/zinc/94/38/75/569943875.db2.gz MZPRGQXUABIMFR-FQEVSTJZSA-N 0 0 490.622 2.849 40 0 JFABRN Cc1cc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1F ZINC000224426295 569944211 /nfs/dbraw/zinc/94/42/11/569944211.db2.gz DMWWEBQNUWXKMZ-UHFFFAOYSA-N 0 0 456.561 2.666 40 0 JFABRN O=C(/C=C/c1ccc(Cl)cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224430394 569944313 /nfs/dbraw/zinc/94/43/13/569944313.db2.gz OSPJPGGAWNXBPF-XCVCLJGOSA-N 0 0 450.944 2.569 40 0 JFABRN O=C(CSc1ccc(Cl)cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224430706 569944323 /nfs/dbraw/zinc/94/43/23/569944323.db2.gz JCWFUTPYZIDEBQ-UHFFFAOYSA-N 0 0 471.000 2.648 40 0 JFABRN Cc1ccc(CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000224430212 569944329 /nfs/dbraw/zinc/94/43/29/569944329.db2.gz DFYFQEFBPOGZKL-UHFFFAOYSA-N 0 0 493.651 2.960 40 0 JFABRN COc1cccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224445467 569944747 /nfs/dbraw/zinc/94/47/47/569944747.db2.gz HGYNLBXUAQVNFW-YUXAGFNASA-N 0 0 469.582 2.526 40 0 JFABRN COc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224445385 569944770 /nfs/dbraw/zinc/94/47/70/569944770.db2.gz OWTAPUKFVKVJOC-FQEVSTJZSA-N 0 0 489.638 2.814 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224463158 569945268 /nfs/dbraw/zinc/94/52/68/569945268.db2.gz GJVCBIPWDVIIIS-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224476331 569945606 /nfs/dbraw/zinc/94/56/06/569945606.db2.gz KLNQOUAXLHUNEY-QFIPXVFZSA-N 0 0 476.595 2.677 40 0 JFABRN COc1ccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224475632 569945651 /nfs/dbraw/zinc/94/56/51/569945651.db2.gz AHTYYWWYPPXKNV-QIJUGHKUSA-N 0 0 469.582 2.526 40 0 JFABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224492450 569946134 /nfs/dbraw/zinc/94/61/34/569946134.db2.gz HJVQVKWENLLUFA-JOCHJYFZSA-N 0 0 476.595 2.677 40 0 JFABRN CC(C)(C)c1ccccc1OCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224491620 569946159 /nfs/dbraw/zinc/94/61/59/569946159.db2.gz APQVBDVILLCIIA-UHFFFAOYSA-N 0 0 476.595 2.579 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224495523 569946288 /nfs/dbraw/zinc/94/62/88/569946288.db2.gz ISDAZMVPNSXOSL-IBGZPJMESA-N 0 0 477.602 2.824 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224507593 569946664 /nfs/dbraw/zinc/94/66/64/569946664.db2.gz HNCGKJATBWHWLL-NRFANRHFSA-N 0 0 473.639 2.848 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)OCCO2 ZINC000224528956 569947331 /nfs/dbraw/zinc/94/73/31/569947331.db2.gz FWZBEUJRBNLRGZ-UHFFFAOYSA-N 0 0 470.551 2.506 40 0 JFABRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc21 ZINC000224535076 569947613 /nfs/dbraw/zinc/94/76/13/569947613.db2.gz NDIHZSPNSYTPDU-UHFFFAOYSA-N 0 0 477.608 2.961 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224536799 569947641 /nfs/dbraw/zinc/94/76/41/569947641.db2.gz UKZFPTRVMOHHEN-OAQYLSRUSA-N 0 0 479.574 2.544 40 0 JFABRN CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)c(C)c1 ZINC000224556448 569948272 /nfs/dbraw/zinc/94/82/72/569948272.db2.gz YPBDPDBCUZUNBD-GOSISDBHSA-N 0 0 450.557 2.909 40 0 JFABRN C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224559700 569948462 /nfs/dbraw/zinc/94/84/62/569948462.db2.gz WOGMPLSISMCVHC-QGZVFWFLSA-N 0 0 466.003 2.643 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224567099 569948780 /nfs/dbraw/zinc/94/87/80/569948780.db2.gz RRLNGFOXNYLQEA-QFIPXVFZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224569631 569948948 /nfs/dbraw/zinc/94/89/48/569948948.db2.gz BMHPDFIQRYKDLN-HXUWFJFHSA-N 0 0 479.574 2.544 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 ZINC000224580395 569949389 /nfs/dbraw/zinc/94/93/89/569949389.db2.gz USAFVKUBIZPDJY-LJQANCHMSA-N 0 0 474.539 2.615 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224608673 569950557 /nfs/dbraw/zinc/95/05/57/569950557.db2.gz NDOVMBFHVMUOSO-FQEVSTJZSA-N 0 0 463.575 2.578 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224643389 569951960 /nfs/dbraw/zinc/95/19/60/569951960.db2.gz SMFHTSWUXLMACM-LJQANCHMSA-N 0 0 459.612 2.959 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224645471 569952084 /nfs/dbraw/zinc/95/20/84/569952084.db2.gz PHAZEZMOLPXQFE-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000224653062 569952241 /nfs/dbraw/zinc/95/22/41/569952241.db2.gz JJMWWPSMXCWNHS-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224653420 569952278 /nfs/dbraw/zinc/95/22/78/569952278.db2.gz ZLPXLJLHWPODJW-MRXNPFEDSA-N 0 0 467.538 2.674 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000224660238 569952555 /nfs/dbraw/zinc/95/25/55/569952555.db2.gz FXWWRAKHQJTSFD-KRWDZBQOSA-N 0 0 491.585 2.736 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224664222 569952788 /nfs/dbraw/zinc/95/27/88/569952788.db2.gz MAVABRULCCOVGB-QGZVFWFLSA-N 0 0 496.580 2.520 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 ZINC000224706673 569954360 /nfs/dbraw/zinc/95/43/60/569954360.db2.gz JYHNHTSHRDQGFP-LJQANCHMSA-N 0 0 474.539 2.615 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224718441 569954650 /nfs/dbraw/zinc/95/46/50/569954650.db2.gz MCGYFXHQHCRARG-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224733815 569955287 /nfs/dbraw/zinc/95/52/87/569955287.db2.gz DICKEOQFUZSMBQ-IBGZPJMESA-N 0 0 492.617 2.690 40 0 JFABRN CC[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224734832 569955347 /nfs/dbraw/zinc/95/53/47/569955347.db2.gz VALUYXQZWDXDOK-XMMPIXPASA-N 0 0 473.639 2.997 40 0 JFABRN Cc1cc(C)c(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c(C)c1 ZINC000224735619 569955431 /nfs/dbraw/zinc/95/54/31/569955431.db2.gz WHWWXICCLKQMBG-UHFFFAOYSA-N 0 0 459.612 2.526 40 0 JFABRN CC[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224746315 569955781 /nfs/dbraw/zinc/95/57/81/569955781.db2.gz GLRBJPLFHSOTRF-HSZRJFAPSA-N 0 0 459.612 2.688 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccc1F ZINC000224748918 569955835 /nfs/dbraw/zinc/95/58/35/569955835.db2.gz FUSGQSBQUPEPEY-UHFFFAOYSA-N 0 0 463.575 2.521 40 0 JFABRN CCOc1ccc(N([C@@H](CC)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224746947 569955873 /nfs/dbraw/zinc/95/58/73/569955873.db2.gz UKSJWYZLHMIHNI-DEOSSOPVSA-N 0 0 489.638 2.779 40 0 JFABRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)ccc1C ZINC000224780117 569957252 /nfs/dbraw/zinc/95/72/52/569957252.db2.gz RWXYUCSHFCDEAD-UHFFFAOYSA-N 0 0 482.580 2.766 40 0 JFABRN CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224826544 569959383 /nfs/dbraw/zinc/95/93/83/569959383.db2.gz UGUAUMJHBTXTEB-UHFFFAOYSA-N 0 0 473.595 2.552 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224858686 569960548 /nfs/dbraw/zinc/96/05/48/569960548.db2.gz FPBRQJWLKLLJJM-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NCCN1CCOCC1 ZINC000408593668 569965054 /nfs/dbraw/zinc/96/50/54/569965054.db2.gz NSNTUFUKKNAFNZ-UHFFFAOYSA-N 0 0 488.393 2.621 40 0 JFABRN CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000408596154 569966627 /nfs/dbraw/zinc/96/66/27/569966627.db2.gz PJWWSYMSYJQEPV-UHFFFAOYSA-N 0 0 497.577 2.797 40 0 JFABRN COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408596343 569966689 /nfs/dbraw/zinc/96/66/89/569966689.db2.gz UJPHZKUUNGNSPW-CYBMUJFWSA-N 0 0 457.346 2.780 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224987662 569967496 /nfs/dbraw/zinc/96/74/96/569967496.db2.gz BUSMGSXZDNURDO-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224987210 569967559 /nfs/dbraw/zinc/96/75/59/569967559.db2.gz OODZGRRMAZBWIV-ZWKOTPCHSA-N 0 0 463.575 2.924 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000408597795 569967670 /nfs/dbraw/zinc/96/76/70/569967670.db2.gz YHOLKCDXHYIXGE-MRXNPFEDSA-N 0 0 451.976 2.673 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224989797 569967695 /nfs/dbraw/zinc/96/76/95/569967695.db2.gz BXGNIMWAUVKMLU-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000408598420 569968024 /nfs/dbraw/zinc/96/80/24/569968024.db2.gz ZYMDZSREQOBTJK-UHFFFAOYSA-N 0 0 478.567 2.996 40 0 JFABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O ZINC000224995552 569968047 /nfs/dbraw/zinc/96/80/47/569968047.db2.gz CAFYNLBJCNRSLE-HNNXBMFYSA-N 0 0 467.975 2.978 40 0 JFABRN COC(=O)COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1Cl ZINC000408598283 569968087 /nfs/dbraw/zinc/96/80/87/569968087.db2.gz YSOUNSACVCHDHA-VMPITWQZSA-N 0 0 464.971 2.912 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1N1C(=O)CCC1=O ZINC000224999050 569968277 /nfs/dbraw/zinc/96/82/77/569968277.db2.gz JKJXDGVSJLBNNC-UHFFFAOYSA-N 0 0 462.524 2.623 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000225002354 569968514 /nfs/dbraw/zinc/96/85/14/569968514.db2.gz IGNGMRRLDSAMIY-RBUKOAKNSA-N 0 0 492.617 2.771 40 0 JFABRN COc1cc2c(cc1S(=O)(=O)N1CCc3cc(S(=O)(=O)N(C)C)ccc31)CCCC2 ZINC000225012794 569969094 /nfs/dbraw/zinc/96/90/94/569969094.db2.gz DHKKRUAGKAUUFD-UHFFFAOYSA-N 0 0 450.582 2.576 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000225013256 569969122 /nfs/dbraw/zinc/96/91/22/569969122.db2.gz JELGIGCVDAOSCO-UHFFFAOYSA-N 0 0 453.511 2.986 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000225018334 569969602 /nfs/dbraw/zinc/96/96/02/569969602.db2.gz BGJYXDCBSGOEGC-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408604785 569970457 /nfs/dbraw/zinc/97/04/57/569970457.db2.gz IGMIUUFUMFISQE-UHFFFAOYSA-N 0 0 470.503 2.818 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225066765 569973141 /nfs/dbraw/zinc/97/31/41/569973141.db2.gz KPAIIBZGAGISNA-SFHVURJKSA-N 0 0 480.030 2.947 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225074380 569973371 /nfs/dbraw/zinc/97/33/71/569973371.db2.gz DHOXVLXSPLGEGU-NHCUHLMSSA-N 0 0 488.654 2.940 40 0 JFABRN COC(=O)c1ccccc1NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O ZINC000408613822 569973532 /nfs/dbraw/zinc/97/35/32/569973532.db2.gz WBANBIQZQYWOIH-UHFFFAOYSA-N 0 0 455.330 2.636 40 0 JFABRN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)CC1 ZINC000408614140 569973810 /nfs/dbraw/zinc/97/38/10/569973810.db2.gz YUTVOXSHEADCPA-KRWDZBQOSA-N 0 0 466.600 2.867 40 0 JFABRN CCn1c2ccc(NC(=O)CN(c3cc(OC)ccc3OC)S(C)(=O)=O)cc2sc1=O ZINC000225083690 569973962 /nfs/dbraw/zinc/97/39/62/569973962.db2.gz ZIEPFKZCWNFYQZ-UHFFFAOYSA-N 0 0 465.553 2.505 40 0 JFABRN CCn1c2ccc(NC(=O)CN(c3ccc(OC)c(OC)c3)S(C)(=O)=O)cc2sc1=O ZINC000225083753 569974001 /nfs/dbraw/zinc/97/40/01/569974001.db2.gz CXEZSIZWDLIZCI-UHFFFAOYSA-N 0 0 465.553 2.505 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)cc1 ZINC000408614547 569974023 /nfs/dbraw/zinc/97/40/23/569974023.db2.gz DNBYFEHWVLELLM-PGRDOPGGSA-N 0 0 451.523 2.661 40 0 JFABRN CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)cc2)C1 ZINC000408615276 569974539 /nfs/dbraw/zinc/97/45/39/569974539.db2.gz OICOVELWNWOKBX-AWEZNQCLSA-N 0 0 460.328 2.874 40 0 JFABRN COc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccco4)CC3=O)cc2)c1 ZINC000408615236 569974548 /nfs/dbraw/zinc/97/45/48/569974548.db2.gz NTHABLDFKOWNFR-KRWDZBQOSA-N 0 0 463.490 2.975 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225095306 569974749 /nfs/dbraw/zinc/97/47/49/569974749.db2.gz WYFGFVOGXBASOG-QFIPXVFZSA-N 0 0 459.612 2.949 40 0 JFABRN CCc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCOC)CC2=O)cc1 ZINC000408615583 569974861 /nfs/dbraw/zinc/97/48/61/569974861.db2.gz QWUOHZNQOQUEGQ-IBGZPJMESA-N 0 0 453.539 2.772 40 0 JFABRN CCc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000408615571 569974905 /nfs/dbraw/zinc/97/49/05/569974905.db2.gz QUHHZZZDQMGABS-KNQAVFIVSA-N 0 0 465.550 2.915 40 0 JFABRN CCn1c2ccc(NC(=O)CN(c3ccc4c(c3)OCO4)S(=O)(=O)CC)cc2sc1=O ZINC000225098800 569974964 /nfs/dbraw/zinc/97/49/64/569974964.db2.gz MPQVXDQRVBPCGA-UHFFFAOYSA-N 0 0 463.537 2.606 40 0 JFABRN Cc1ccc(C)c(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)c1 ZINC000408615831 569975003 /nfs/dbraw/zinc/97/50/03/569975003.db2.gz SRXXDYYEZUNXPI-KNQAVFIVSA-N 0 0 465.550 2.969 40 0 JFABRN CCn1c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)N(C)C)cc2sc1=O ZINC000225099715 569975100 /nfs/dbraw/zinc/97/51/00/569975100.db2.gz XFKBSBIHRNYIFB-UHFFFAOYSA-N 0 0 462.597 2.951 40 0 JFABRN COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)C1 ZINC000408616423 569975436 /nfs/dbraw/zinc/97/54/36/569975436.db2.gz YYNWTPIWZVUENZ-LJQANCHMSA-N 0 0 453.539 2.827 40 0 JFABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 ZINC000408616474 569975588 /nfs/dbraw/zinc/97/55/88/569975588.db2.gz ZCFYHXSWAIAEIR-ZBFHGGJFSA-N 0 0 459.930 2.516 40 0 JFABRN Cc1nccn1-c1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000225112927 569975699 /nfs/dbraw/zinc/97/56/99/569975699.db2.gz FZYJTHFGOPFMHI-UHFFFAOYSA-N 0 0 454.537 2.763 40 0 JFABRN COCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1C ZINC000408616674 569975736 /nfs/dbraw/zinc/97/57/36/569975736.db2.gz AOSVYFJJWSSERQ-UHFFFAOYSA-N 0 0 485.528 2.901 40 0 JFABRN CCn1c(=O)sc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCN(C)CC4)c3)ccc21 ZINC000225114241 569975763 /nfs/dbraw/zinc/97/57/63/569975763.db2.gz GLCBERKQNYPDSH-UHFFFAOYSA-N 0 0 495.026 2.925 40 0 JFABRN CCn1c(=O)sc2cc(NC(=O)c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)ccc21 ZINC000225114349 569975775 /nfs/dbraw/zinc/97/57/75/569975775.db2.gz ONNCIPRGFGIDAM-UHFFFAOYSA-N 0 0 495.026 2.925 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000408616779 569975840 /nfs/dbraw/zinc/97/58/40/569975840.db2.gz AYSIPXZEAPNVNG-UHFFFAOYSA-N 0 0 457.596 2.979 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1C ZINC000408616914 569975959 /nfs/dbraw/zinc/97/59/59/569975959.db2.gz BNVDAGQFTGARNF-AWEZNQCLSA-N 0 0 480.539 2.503 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225121413 569976347 /nfs/dbraw/zinc/97/63/47/569976347.db2.gz UNPWXBVKBKNDNH-HSZRJFAPSA-N 0 0 488.654 2.941 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225125135 569976445 /nfs/dbraw/zinc/97/64/45/569976445.db2.gz IIWUNBYORFITSL-RTBURBONSA-N 0 0 485.606 2.862 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000408617964 569976529 /nfs/dbraw/zinc/97/65/29/569976529.db2.gz IDMKRDFXTCAXBN-UHFFFAOYSA-N 0 0 467.975 2.819 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225125250 569976577 /nfs/dbraw/zinc/97/65/77/569976577.db2.gz IIWUNBYORFITSL-OALUTQOASA-N 0 0 485.606 2.862 40 0 JFABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)C2CCCCC2)c(C)c1 ZINC000408620046 569977586 /nfs/dbraw/zinc/97/75/86/569977586.db2.gz JKFKUOIJWXIWHW-UHFFFAOYSA-N 0 0 465.660 2.774 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(Br)cc1 ZINC000408620176 569977736 /nfs/dbraw/zinc/97/77/36/569977736.db2.gz KKZOWCHBRNXTMB-UHFFFAOYSA-N 0 0 484.391 2.699 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1cc(C)cc(C)c1 ZINC000408620769 569977960 /nfs/dbraw/zinc/97/79/60/569977960.db2.gz LUUODOGIAMBXBK-UHFFFAOYSA-N 0 0 489.638 2.654 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)Cc2ccccc2)cc1C ZINC000408621524 569978316 /nfs/dbraw/zinc/97/83/16/569978316.db2.gz NIAIDBWJMUOVBH-UHFFFAOYSA-N 0 0 470.595 2.988 40 0 JFABRN CC[C@H](NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000225154467 569978560 /nfs/dbraw/zinc/97/85/60/569978560.db2.gz IDVJKOKHMAAGSU-NRFANRHFSA-N 0 0 482.624 2.912 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000408622967 569979123 /nfs/dbraw/zinc/97/91/23/569979123.db2.gz OKOORTBUCLYORD-KRWDZBQOSA-N 0 0 466.003 2.750 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)C2CCCCC2)cc1Cl ZINC000408623296 569979188 /nfs/dbraw/zinc/97/91/88/569979188.db2.gz PXVAHRYGHMCCMB-UHFFFAOYSA-N 0 0 488.050 2.511 40 0 JFABRN COc1ccc(N(CC(=O)N2CC(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000408624200 569979561 /nfs/dbraw/zinc/97/95/61/569979561.db2.gz GCSYVZKXUCGVJN-UHFFFAOYSA-N 0 0 481.530 2.884 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000408625038 569979943 /nfs/dbraw/zinc/97/99/43/569979943.db2.gz HVKZAUZVTWQCNA-UHFFFAOYSA-N 0 0 490.456 2.914 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccc(Cl)cc2)cc1 ZINC000408626475 569980691 /nfs/dbraw/zinc/98/06/91/569980691.db2.gz XIHONIZLKQKEIU-UHFFFAOYSA-N 0 0 462.959 2.947 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000408627521 569981165 /nfs/dbraw/zinc/98/11/65/569981165.db2.gz NLMZOOXAVYDHGV-UHFFFAOYSA-N 0 0 450.513 2.512 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000225193987 569981665 /nfs/dbraw/zinc/98/16/65/569981665.db2.gz XHQHYSBPCGARKS-HNNXBMFYSA-N 0 0 471.501 2.635 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000225195757 569981767 /nfs/dbraw/zinc/98/17/67/569981767.db2.gz ULEMCVXKBGVNKG-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN CCCc1ccc(OCCNC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 ZINC000225195771 569981796 /nfs/dbraw/zinc/98/17/96/569981796.db2.gz FHJXIXUKVUREEN-UHFFFAOYSA-N 0 0 490.622 2.796 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000225197629 569981877 /nfs/dbraw/zinc/98/18/77/569981877.db2.gz JJWABPOXTBHXJG-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O ZINC000408630167 569982140 /nfs/dbraw/zinc/98/21/40/569982140.db2.gz OPRGZLIDUDJWAH-INIZCTEOSA-N 0 0 479.986 2.962 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408630945 569982565 /nfs/dbraw/zinc/98/25/65/569982565.db2.gz YHKPTAHTMTUWPC-GFCCVEGCSA-N 0 0 470.931 2.937 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408630946 569982597 /nfs/dbraw/zinc/98/25/97/569982597.db2.gz YHKPTAHTMTUWPC-LBPRGKRZSA-N 0 0 470.931 2.937 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccc(C)c(Cl)c2)cc1 ZINC000408630902 569982617 /nfs/dbraw/zinc/98/26/17/569982617.db2.gz XSHXSHWVRVSKMY-UHFFFAOYSA-N 0 0 480.030 2.991 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225229788 569984277 /nfs/dbraw/zinc/98/42/77/569984277.db2.gz HFODCJLYDDNVNB-RBUKOAKNSA-N 0 0 492.617 2.771 40 0 JFABRN CN(Cc1nc(-c2cccs2)no1)C(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000225237624 569984738 /nfs/dbraw/zinc/98/47/38/569984738.db2.gz NWVNLYGIFUTTEL-UHFFFAOYSA-N 0 0 454.961 2.872 40 0 JFABRN COc1ccccc1N(CC(=O)NC[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1 ZINC000225240847 569984966 /nfs/dbraw/zinc/98/49/66/569984966.db2.gz CPRPLWTVYVZCTR-GOSISDBHSA-N 0 0 468.531 2.847 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(CN2CCCC2=O)cc1)c1ccc(F)c(F)c1 ZINC000225241626 569985093 /nfs/dbraw/zinc/98/50/93/569985093.db2.gz IVEVJQQGSSGRGY-UHFFFAOYSA-N 0 0 479.549 2.950 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)Cc1ccccc1F ZINC000225243939 569985215 /nfs/dbraw/zinc/98/52/15/569985215.db2.gz TUJCNPNIMGOGBA-UHFFFAOYSA-N 0 0 473.492 2.955 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)c2ccc(F)cc2)cc1 ZINC000225249826 569985658 /nfs/dbraw/zinc/98/56/58/569985658.db2.gz BCOZXDXVYNFFAI-HXUWFJFHSA-N 0 0 486.521 2.986 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000408635974 569986211 /nfs/dbraw/zinc/98/62/11/569986211.db2.gz LUVAODWYSNTJLO-UHFFFAOYSA-N 0 0 472.607 2.876 40 0 JFABRN COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl ZINC000408636004 569986297 /nfs/dbraw/zinc/98/62/97/569986297.db2.gz OKDLVRNCWMCVQO-OAHLLOKOSA-N 0 0 452.960 2.617 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000408636458 569986660 /nfs/dbraw/zinc/98/66/60/569986660.db2.gz QMHOHZVJTJCDSM-UHFFFAOYSA-N 0 0 481.615 2.709 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000225264645 569986865 /nfs/dbraw/zinc/98/68/65/569986865.db2.gz CHHACMMXHWYPCU-SFHVURJKSA-N 0 0 464.971 2.838 40 0 JFABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)c(Cl)c2)cc1 ZINC000408636869 569987021 /nfs/dbraw/zinc/98/70/21/569987021.db2.gz VFXLRZLESOTWEH-UHFFFAOYSA-N 0 0 467.975 2.692 40 0 JFABRN C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000225273896 569987474 /nfs/dbraw/zinc/98/74/74/569987474.db2.gz XOENMSFYRQZXSU-XJKSGUPXSA-N 0 0 458.458 2.816 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1OC ZINC000225307301 569989389 /nfs/dbraw/zinc/98/93/89/569989389.db2.gz LYPJMDJTZFJQAN-NSHDSACASA-N 0 0 460.603 2.849 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)s1 ZINC000225307425 569989398 /nfs/dbraw/zinc/98/93/98/569989398.db2.gz SVHVYIRLSHSPCU-UHFFFAOYSA-N 0 0 485.396 2.515 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 ZINC000408644148 569990609 /nfs/dbraw/zinc/99/06/09/569990609.db2.gz DITWQOPLDCCCEX-CQSZACIVSA-N 0 0 460.870 2.670 40 0 JFABRN COc1ccccc1OC[C@H](C)NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000225337850 569991251 /nfs/dbraw/zinc/99/12/51/569991251.db2.gz FXJBAWNIYWDYSJ-KRWDZBQOSA-N 0 0 478.567 2.596 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225359640 569992767 /nfs/dbraw/zinc/99/27/67/569992767.db2.gz WRKXXPLULOZZKH-ZWKOTPCHSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225363525 569993023 /nfs/dbraw/zinc/99/30/23/569993023.db2.gz OPRDNPUHMQHJDE-QZTJIDSGSA-N 0 0 493.601 2.932 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)cc1 ZINC000408650092 569993558 /nfs/dbraw/zinc/99/35/58/569993558.db2.gz AMZVXBKBQTXJBM-MRXNPFEDSA-N 0 0 488.338 2.741 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225371985 569993579 /nfs/dbraw/zinc/99/35/79/569993579.db2.gz QNLUATUXUOKLTI-GKJHBJHPSA-N 0 0 469.582 2.668 40 0 JFABRN COc1ccccc1N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O ZINC000225375834 569993808 /nfs/dbraw/zinc/99/38/08/569993808.db2.gz UPVRMKMYZRYUGF-UHFFFAOYSA-N 0 0 495.623 2.665 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 ZINC000408651062 569994077 /nfs/dbraw/zinc/99/40/77/569994077.db2.gz AQVCRMDTXGKXSP-NHCUHLMSSA-N 0 0 461.474 2.896 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000408651066 569994143 /nfs/dbraw/zinc/99/41/43/569994143.db2.gz AQVCRMDTXGKXSP-SFTDATJTSA-N 0 0 461.474 2.896 40 0 JFABRN COC(=O)CS(=O)(=O)Nc1ccc([C@H]2CC(=O)c3cc4c(cc3-n3cccc32)OCCO4)cc1 ZINC000225383053 569994180 /nfs/dbraw/zinc/99/41/80/569994180.db2.gz UZLYPLFNMJYPSG-QGZVFWFLSA-N 0 0 482.514 2.882 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000225388444 569994439 /nfs/dbraw/zinc/99/44/39/569994439.db2.gz KKJKXXTUZVNALS-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000408651803 569994497 /nfs/dbraw/zinc/99/44/97/569994497.db2.gz FEJGEWMCBSJAFI-DZGCQCFKSA-N 0 0 478.332 2.907 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225391030 569994609 /nfs/dbraw/zinc/99/46/09/569994609.db2.gz KVKQBUPISKNFCC-RTBURBONSA-N 0 0 475.611 2.793 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000225391132 569994650 /nfs/dbraw/zinc/99/46/50/569994650.db2.gz QGCHQVPVFAGCHX-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000225391524 569994679 /nfs/dbraw/zinc/99/46/79/569994679.db2.gz XUZOTLZBKUVWKJ-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225393511 569994870 /nfs/dbraw/zinc/99/48/70/569994870.db2.gz RQUYMWZPVGTQDW-QZTJIDSGSA-N 0 0 493.601 2.932 40 0 JFABRN Cc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000408652611 569994996 /nfs/dbraw/zinc/99/49/96/569994996.db2.gz GFHFYQQRZZWOIN-CYBMUJFWSA-N 0 0 464.305 2.977 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 ZINC000408652731 569995091 /nfs/dbraw/zinc/99/50/91/569995091.db2.gz HDVOZHOCUSTHFZ-AWEZNQCLSA-N 0 0 464.305 2.977 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225407160 569995340 /nfs/dbraw/zinc/99/53/40/569995340.db2.gz HZNDUTZIAYTQBK-QFIPXVFZSA-N 0 0 493.601 2.934 40 0 JFABRN CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)c1 ZINC000225417192 569995782 /nfs/dbraw/zinc/99/57/82/569995782.db2.gz CDGRKSRTGNUDTQ-UHFFFAOYSA-N 0 0 465.329 2.679 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 ZINC000408654635 569996337 /nfs/dbraw/zinc/99/63/37/569996337.db2.gz KPUYHBDXTCLQDM-AWEZNQCLSA-N 0 0 464.305 2.977 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000225431522 569996411 /nfs/dbraw/zinc/99/64/11/569996411.db2.gz LVLGEWTWMHXXMN-UHFFFAOYSA-N 0 0 497.639 2.911 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225434449 569996728 /nfs/dbraw/zinc/99/67/28/569996728.db2.gz SBEQCZVMPVFKCB-RBUKOAKNSA-N 0 0 477.602 2.966 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225434017 569996755 /nfs/dbraw/zinc/99/67/55/569996755.db2.gz XFDYMBGXYQNVCN-HSZRJFAPSA-N 0 0 489.638 2.837 40 0 JFABRN COc1ccc(-c2noc(CNC(=O)CCCN(c3ccccc3C)S(C)(=O)=O)n2)cc1 ZINC000225439739 569996930 /nfs/dbraw/zinc/99/69/30/569996930.db2.gz ZCBLHWQRLMECCZ-UHFFFAOYSA-N 0 0 458.540 2.916 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225438786 569996969 /nfs/dbraw/zinc/99/69/69/569996969.db2.gz PSFKJKFJEPABHU-HNNXBMFYSA-N 0 0 485.528 2.813 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225447727 569997288 /nfs/dbraw/zinc/99/72/88/569997288.db2.gz VVLTUGHQLPBIAH-NHCUHLMSSA-N 0 0 473.639 2.990 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000225450430 569997370 /nfs/dbraw/zinc/99/73/70/569997370.db2.gz LAZIAWSTHDJHCO-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225448548 569997377 /nfs/dbraw/zinc/99/73/77/569997377.db2.gz WMWMVAKKTUHLKZ-NRFANRHFSA-N 0 0 485.606 2.597 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225448513 569997379 /nfs/dbraw/zinc/99/73/79/569997379.db2.gz WMWMVAKKTUHLKZ-OAQYLSRUSA-N 0 0 485.606 2.597 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)Nc1ccccc1Cl ZINC000408657231 569998066 /nfs/dbraw/zinc/99/80/66/569998066.db2.gz OLXDDDBBBZHXQJ-LBPRGKRZSA-N 0 0 450.278 2.669 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000225478812 569998644 /nfs/dbraw/zinc/99/86/44/569998644.db2.gz KRWADHIZAHYEJK-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000225478781 569998667 /nfs/dbraw/zinc/99/86/67/569998667.db2.gz KRWADHIZAHYEJK-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000225479375 569998741 /nfs/dbraw/zinc/99/87/41/569998741.db2.gz UCNMRSBUXFXRNL-UHFFFAOYSA-N 0 0 473.595 2.801 40 0 JFABRN COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)c1 ZINC000408658254 569998813 /nfs/dbraw/zinc/99/88/13/569998813.db2.gz QKTTXIPJWGKDIO-KRWDZBQOSA-N 0 0 467.522 2.668 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000225483459 569998945 /nfs/dbraw/zinc/99/89/45/569998945.db2.gz NUQWNGHQRFPXTP-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)Nc1ccc(F)cc1 ZINC000408659424 569999572 /nfs/dbraw/zinc/99/95/72/569999572.db2.gz SIOWBEPSWRXEKQ-LBPRGKRZSA-N 0 0 468.268 2.808 40 0 JFABRN Cc1ccccc1CN(C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)[C@H](C)C(=O)NC(C)C ZINC000225492498 569999599 /nfs/dbraw/zinc/99/95/99/569999599.db2.gz URPPLMLZWBAQPY-LJQANCHMSA-N 0 0 485.606 2.862 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)c1 ZINC000408659894 569999827 /nfs/dbraw/zinc/99/98/27/569999827.db2.gz SZWBIZNWEQMNLR-KRWDZBQOSA-N 0 0 484.505 2.804 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)c1 ZINC000225496224 569999922 /nfs/dbraw/zinc/99/99/22/569999922.db2.gz HXVJPSFFPITPAQ-ZDUSSCGKSA-N 0 0 480.493 2.837 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(-n4ccnc4C)cc3)CC2)cc1 ZINC000225497007 569999948 /nfs/dbraw/zinc/99/99/48/569999948.db2.gz HFLAZCPLRGSVKG-UHFFFAOYSA-N 0 0 468.579 2.906 40 0 JFABRN Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c1 ZINC000408660575 570000325 /nfs/dbraw/zinc/00/03/25/570000325.db2.gz UQYMRUIBRUNZLN-INIZCTEOSA-N 0 0 488.338 2.741 40 0 JFABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000225500983 570000389 /nfs/dbraw/zinc/00/03/89/570000389.db2.gz OQLSMHHAHYGEPV-QFIPXVFZSA-N 0 0 494.635 2.767 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000225502827 570000474 /nfs/dbraw/zinc/00/04/74/570000474.db2.gz YDACRIORLHDLJI-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225504388 570000673 /nfs/dbraw/zinc/00/06/73/570000673.db2.gz HAZSXLDNUKLNCA-DEOSSOPVSA-N 0 0 479.602 2.839 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000408661710 570001154 /nfs/dbraw/zinc/00/11/54/570001154.db2.gz BZHGUAZWYPMCTH-UHFFFAOYSA-N 0 0 470.478 2.941 40 0 JFABRN O=C(NCc1ccc(CN2CCCC2=O)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225511758 570001222 /nfs/dbraw/zinc/00/12/22/570001222.db2.gz URUHNVKSJXSTBT-OAQYLSRUSA-N 0 0 455.580 2.526 40 0 JFABRN COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000408662086 570001430 /nfs/dbraw/zinc/00/14/30/570001430.db2.gz WZNSZBAOHKJHGQ-CYBMUJFWSA-N 0 0 480.304 2.677 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl ZINC000225514239 570001489 /nfs/dbraw/zinc/00/14/89/570001489.db2.gz ZJVZWYAQLPGVGC-UHFFFAOYSA-N 0 0 470.931 2.793 40 0 JFABRN CC(C)(C)c1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 ZINC000408662106 570001520 /nfs/dbraw/zinc/00/15/20/570001520.db2.gz XCUBIPDJTLODEO-MRXNPFEDSA-N 0 0 455.486 2.798 40 0 JFABRN CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000408662679 570001866 /nfs/dbraw/zinc/00/18/66/570001866.db2.gz XKHUXJXYJCBFAM-OAHLLOKOSA-N 0 0 492.315 2.871 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccc(Cl)c2)no1)Cc1ccccc1F ZINC000225521960 570002176 /nfs/dbraw/zinc/00/21/76/570002176.db2.gz ACCZRKALANWTGR-UHFFFAOYSA-N 0 0 452.895 2.607 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000408663480 570002368 /nfs/dbraw/zinc/00/23/68/570002368.db2.gz PTRSOXIWBPVSLV-BGYRXZFFSA-N 0 0 462.458 2.724 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1ccc(Br)cc1Cl ZINC000408663591 570002455 /nfs/dbraw/zinc/00/24/55/570002455.db2.gz YTBAFYQCGZKGBG-CYBMUJFWSA-N 0 0 494.729 2.778 40 0 JFABRN COc1cccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)c1 ZINC000225528413 570002770 /nfs/dbraw/zinc/00/27/70/570002770.db2.gz NSQUJYMDGGRNGP-GOSISDBHSA-N 0 0 470.551 2.771 40 0 JFABRN COc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1 ZINC000225528493 570002810 /nfs/dbraw/zinc/00/28/10/570002810.db2.gz PSBQQGPGIQPEBX-GOSISDBHSA-N 0 0 470.551 2.771 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000408665052 570003662 /nfs/dbraw/zinc/00/36/62/570003662.db2.gz SLPOPPYAXKHHLY-UHFFFAOYSA-N 0 0 455.467 2.722 40 0 JFABRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 ZINC000225537772 570003687 /nfs/dbraw/zinc/00/36/87/570003687.db2.gz AFTPEQNRWAXIHV-UHFFFAOYSA-N 0 0 463.581 2.571 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225541036 570004004 /nfs/dbraw/zinc/00/40/04/570004004.db2.gz WPAZLRDFNXSWFK-NQIIRXRSSA-N 0 0 485.606 2.862 40 0 JFABRN COc1ccccc1OC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225541117 570004007 /nfs/dbraw/zinc/00/40/07/570004007.db2.gz NTYIODFKKKYCHH-IAGOWNOFSA-N 0 0 450.532 2.819 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 ZINC000225560619 570005777 /nfs/dbraw/zinc/00/57/77/570005777.db2.gz DJVRJQXARWQCQS-UHFFFAOYSA-N 0 0 497.639 2.547 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCSC1CCCCC1 ZINC000225568182 570006304 /nfs/dbraw/zinc/00/63/04/570006304.db2.gz LRGNIOSVJRNVOF-UHFFFAOYSA-N 0 0 470.657 2.831 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225569494 570006443 /nfs/dbraw/zinc/00/64/43/570006443.db2.gz JBCFVSXERPXGTQ-FFZOFVMBSA-N 0 0 459.974 2.923 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225570250 570006485 /nfs/dbraw/zinc/00/64/85/570006485.db2.gz SHVQVJOPEWCIFP-RXVVDRJESA-N 0 0 485.606 2.862 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225581991 570007344 /nfs/dbraw/zinc/00/73/44/570007344.db2.gz KWHZXINFXGDNTE-SFHVURJKSA-N 0 0 493.601 2.851 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225581549 570007351 /nfs/dbraw/zinc/00/73/51/570007351.db2.gz IKXCHPTWBZJULP-SFHVURJKSA-N 0 0 493.601 2.932 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225586188 570007794 /nfs/dbraw/zinc/00/77/94/570007794.db2.gz HROIEAVSQGHYLM-HNNXBMFYSA-N 0 0 485.528 2.812 40 0 JFABRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)cc2)cc1 ZINC000408671893 570007944 /nfs/dbraw/zinc/00/79/44/570007944.db2.gz UJHWYUBLKLJOCO-VEUCTLLHSA-N 0 0 470.499 2.686 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)Nc1ccc(Br)cc1 ZINC000408672420 570008234 /nfs/dbraw/zinc/00/82/34/570008234.db2.gz WNNLCMRHEUWVSS-GFCCVEGCSA-N 0 0 494.729 2.778 40 0 JFABRN Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3)C2)cc(C)c1Br ZINC000408672830 570008419 /nfs/dbraw/zinc/00/84/19/570008419.db2.gz XHDWZVOGYHXDIE-MRXNPFEDSA-N 0 0 488.338 2.741 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000225597136 570008551 /nfs/dbraw/zinc/00/85/51/570008551.db2.gz CJANRKOQXLCZOI-UHFFFAOYSA-N 0 0 477.583 2.646 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2C)CC1 ZINC000408674761 570009419 /nfs/dbraw/zinc/00/94/19/570009419.db2.gz CGIJWKFCVSEDOT-UHFFFAOYSA-N 0 0 460.552 2.976 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000225645552 570012164 /nfs/dbraw/zinc/01/21/64/570012164.db2.gz PNMCKTWUZHUZAD-UHFFFAOYSA-N 0 0 475.586 2.900 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225655249 570012623 /nfs/dbraw/zinc/01/26/23/570012623.db2.gz MDHXISVEDRMNHT-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225672226 570013784 /nfs/dbraw/zinc/01/37/84/570013784.db2.gz OQRUVQUIDQLYAX-KRWDZBQOSA-N 0 0 479.574 2.542 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225681432 570014325 /nfs/dbraw/zinc/01/43/25/570014325.db2.gz NCPLPQMYZIEVLH-SFHVURJKSA-N 0 0 463.575 2.781 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225686344 570014583 /nfs/dbraw/zinc/01/45/83/570014583.db2.gz YLWZNSTWEGXITM-LJQANCHMSA-N 0 0 492.617 2.628 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000225689297 570014841 /nfs/dbraw/zinc/01/48/41/570014841.db2.gz NWFSQVGRHAOXMI-IBGZPJMESA-N 0 0 477.602 2.944 40 0 JFABRN CCn1c2ccc(S(=O)(=O)N(C)Cc3nc(-c4cccc(OC)c4)no3)cc2sc1=O ZINC000225699980 570015979 /nfs/dbraw/zinc/01/59/79/570015979.db2.gz CKPSMUCQNNSCGD-UHFFFAOYSA-N 0 0 460.537 2.962 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1C(=O)N1CCOCC1 ZINC000408693556 570016163 /nfs/dbraw/zinc/01/61/63/570016163.db2.gz ZVRCZOWIGCBZCN-UHFFFAOYSA-N 0 0 455.330 2.731 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C(=O)N1CCCCC1 ZINC000408693557 570016194 /nfs/dbraw/zinc/01/61/94/570016194.db2.gz ZYUNGAJJQVKOBO-UHFFFAOYSA-N 0 0 461.559 2.971 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225706578 570016220 /nfs/dbraw/zinc/01/62/20/570016220.db2.gz CLJHCHLCOXAYCY-JOCHJYFZSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225716614 570017079 /nfs/dbraw/zinc/01/70/79/570017079.db2.gz WOMDKBLZNQGQKH-FQEVSTJZSA-N 0 0 471.579 2.553 40 0 JFABRN COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c(OC)c1OC ZINC000225716710 570017107 /nfs/dbraw/zinc/01/71/07/570017107.db2.gz PYONAXRGMQEYLT-UHFFFAOYSA-N 0 0 478.552 2.603 40 0 JFABRN CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000408696683 570018791 /nfs/dbraw/zinc/01/87/91/570018791.db2.gz DMKKQRMECQPBEY-UHFFFAOYSA-N 0 0 457.596 2.828 40 0 JFABRN CCOc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1S(=O)(=O)N1CCCC1 ZINC000408698441 570019972 /nfs/dbraw/zinc/01/99/72/570019972.db2.gz PIEAFGAASAUHLW-UHFFFAOYSA-N 0 0 462.568 2.860 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000225752365 570020130 /nfs/dbraw/zinc/02/01/30/570020130.db2.gz GXGCUDDAZOBPHH-UHFFFAOYSA-N 0 0 465.547 2.777 40 0 JFABRN C[C@@H]1Cc2ccccc2N1CCCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000225782733 570021351 /nfs/dbraw/zinc/02/13/51/570021351.db2.gz WJXUCFZVBQXEOZ-LJQANCHMSA-N 0 0 487.622 2.962 40 0 JFABRN CSc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1NC(C)=O ZINC000225787486 570021723 /nfs/dbraw/zinc/02/17/23/570021723.db2.gz XKBZUQGHQIZIHE-UHFFFAOYSA-N 0 0 463.581 2.602 40 0 JFABRN COc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)n2)cc1 ZINC000225813564 570023030 /nfs/dbraw/zinc/02/30/30/570023030.db2.gz NWPYUPKEXFFIQR-UHFFFAOYSA-N 0 0 454.508 2.523 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000225814588 570023199 /nfs/dbraw/zinc/02/31/99/570023199.db2.gz GQACDGCVNOIDCM-NRFANRHFSA-N 0 0 459.568 2.683 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000408703413 570023215 /nfs/dbraw/zinc/02/32/15/570023215.db2.gz REIPVSZUNKXIAG-UHFFFAOYSA-N 0 0 461.540 2.738 40 0 JFABRN Cc1ccccc1CSCCNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704241 570023776 /nfs/dbraw/zinc/02/37/76/570023776.db2.gz LECPTYMEZAGFAD-KRWDZBQOSA-N 0 0 464.609 2.970 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CCc2nc(-c3ccc(I)cc3)no2)CC1 ZINC000225839867 570024204 /nfs/dbraw/zinc/02/42/04/570024204.db2.gz PLPDBLIUPCUQIB-UHFFFAOYSA-N 0 0 484.294 2.575 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1=O)Cc1ccccc1Cl ZINC000225855060 570025031 /nfs/dbraw/zinc/02/50/31/570025031.db2.gz AZRVGFQNOHFNEN-UHFFFAOYSA-N 0 0 463.987 2.540 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCCSCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000225858081 570025166 /nfs/dbraw/zinc/02/51/66/570025166.db2.gz MLAFVLBBSUPIBC-UHFFFAOYSA-N 0 0 454.570 2.647 40 0 JFABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408712977 570025335 /nfs/dbraw/zinc/02/53/35/570025335.db2.gz DWZNIBKZCJPNKD-UHFFFAOYSA-N 0 0 455.458 2.745 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000408713518 570025508 /nfs/dbraw/zinc/02/55/08/570025508.db2.gz FPYPBNCAGNPXIC-KRWDZBQOSA-N 0 0 479.549 2.723 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000408713740 570025577 /nfs/dbraw/zinc/02/55/77/570025577.db2.gz RIMZJIQGROXDLU-AWEZNQCLSA-N 0 0 450.488 2.645 40 0 JFABRN CCOc1ccc(-c2noc(CN(C)C(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)n2)cc1 ZINC000225870074 570025879 /nfs/dbraw/zinc/02/58/79/570025879.db2.gz CEZPISJUFBBKLG-HXUWFJFHSA-N 0 0 458.540 2.726 40 0 JFABRN C[C@H](C(=O)N(C)Cc1nc(-c2cccs2)no1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225871631 570025996 /nfs/dbraw/zinc/02/59/96/570025996.db2.gz VIGVEGKAEMYQSB-LLVKDONJSA-N 0 0 456.496 2.889 40 0 JFABRN O=C(CCN1C(=O)c2ccccc2C1=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000225874923 570026011 /nfs/dbraw/zinc/02/60/11/570026011.db2.gz CJJXGHZWKZIRCZ-QHCPKHFHSA-N 0 0 469.497 2.783 40 0 JFABRN C[C@@H]1C[C@@H](C)CN(c2cc(N3CCCCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225904675 570026737 /nfs/dbraw/zinc/02/67/37/570026737.db2.gz QNDODKRXXJEXMG-WOJBJXKFSA-N 0 0 475.707 2.958 40 0 JFABRN S=C(NCc1ccco1)Nc1nc(N2CCOCC2)cc(N2CCc3ccccc3C2)n1 ZINC000225911978 570027128 /nfs/dbraw/zinc/02/71/28/570027128.db2.gz JRMNEAOVZYJLNI-UHFFFAOYSA-N 0 0 450.568 2.956 40 0 JFABRN Fc1ccc(CNC(=S)Nc2nc(Sc3ncccn3)cc(N3CCOCC3)n2)cc1 ZINC000225947912 570029190 /nfs/dbraw/zinc/02/91/90/570029190.db2.gz FALNCUSJUSWPED-UHFFFAOYSA-N 0 0 457.560 2.880 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(O)c(OC)c3)sc2=N[C@@H]1c1ccc(OC)cc1 ZINC000408731790 570029360 /nfs/dbraw/zinc/02/93/60/570029360.db2.gz NAJCGBNYUREDFQ-VLOXRPPESA-N 0 0 480.542 2.630 40 0 JFABRN CCOC(=O)COc1ccc(NC(=O)[C@]2(C)CCCN(Cc3ccccc3)S2(=O)=O)cc1 ZINC000225952426 570029503 /nfs/dbraw/zinc/02/95/03/570029503.db2.gz LPHCUWGBRVDGHM-QHCPKHFHSA-N 0 0 460.552 2.952 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3O)sc2=N[C@H]1c1ccc(O)c(OCC)c1 ZINC000408732441 570029548 /nfs/dbraw/zinc/02/95/48/570029548.db2.gz RLPIGRHLVGMZCO-WLJFKGHSSA-N 0 0 480.542 2.717 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408739233 570031553 /nfs/dbraw/zinc/03/15/53/570031553.db2.gz UKEJRYALBWFIMX-FBHQFGEZSA-N 0 0 464.543 2.903 40 0 JFABRN Cc1nc(SCCNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC000225999503 570031731 /nfs/dbraw/zinc/03/17/31/570031731.db2.gz DURCMKWWMHADPI-UHFFFAOYSA-N 0 0 473.624 2.563 40 0 JFABRN S=C(Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1)NC1CCCC1 ZINC000226005694 570032124 /nfs/dbraw/zinc/03/21/24/570032124.db2.gz MJEVONABLOYZGW-UHFFFAOYSA-N 0 0 467.643 2.869 40 0 JFABRN C[C@@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 ZINC000226012269 570032625 /nfs/dbraw/zinc/03/26/25/570032625.db2.gz XVWYSGCVLNMYIX-MRXNPFEDSA-N 0 0 470.599 2.907 40 0 JFABRN S=C(NCc1ccc2c(c1)OCCO2)Nc1nc(N2CCOCC2)cc(N2CCCCCC2)n1 ZINC000226014764 570032870 /nfs/dbraw/zinc/03/28/70/570032870.db2.gz QCTFQTMFHDNFHJ-UHFFFAOYSA-N 0 0 484.626 2.951 40 0 JFABRN C[C@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)C1 ZINC000226014645 570032900 /nfs/dbraw/zinc/03/29/00/570032900.db2.gz VJLNDVPDNMJKOL-KRWDZBQOSA-N 0 0 484.626 2.807 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc[nH]n2)Cc2cccc(Cl)c2)cc1 ZINC000226029470 570033438 /nfs/dbraw/zinc/03/34/38/570033438.db2.gz AONBQJKQYAOMOQ-UHFFFAOYSA-N 0 0 480.015 2.866 40 0 JFABRN CCOC(=O)C1(c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000226037154 570033605 /nfs/dbraw/zinc/03/36/05/570033605.db2.gz RWGUVPWMDHAPHU-UHFFFAOYSA-N 0 0 476.551 2.558 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21)Cc1ccccc1 ZINC000226034849 570033619 /nfs/dbraw/zinc/03/36/19/570033619.db2.gz SSMGQWXGFMLNPF-DEOSSOPVSA-N 0 0 493.585 2.559 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc[nH]n2)C2CCCCC2)cc1Cl ZINC000226051696 570034465 /nfs/dbraw/zinc/03/44/65/570034465.db2.gz BBPCONOOYJXKRO-UHFFFAOYSA-N 0 0 488.035 2.699 40 0 JFABRN CCN(CC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000226053868 570034709 /nfs/dbraw/zinc/03/47/09/570034709.db2.gz ZKSAEAHCAQKRNJ-DEOSSOPVSA-N 0 0 493.585 2.808 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408753423 570034919 /nfs/dbraw/zinc/03/49/19/570034919.db2.gz POKPGPPUWMYNTC-ZMUHTPIZSA-N 0 0 470.934 2.776 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000226063283 570035217 /nfs/dbraw/zinc/03/52/17/570035217.db2.gz IVLMPHKYDHGLKY-SFHVURJKSA-N 0 0 487.361 2.722 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)cc1Cl ZINC000226067604 570035393 /nfs/dbraw/zinc/03/53/93/570035393.db2.gz YERQEMUZGVEDAJ-FQEVSTJZSA-N 0 0 496.969 2.717 40 0 JFABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)c(C)c1 ZINC000226069622 570035536 /nfs/dbraw/zinc/03/55/36/570035536.db2.gz HSJNQSYNLPDLJD-UHFFFAOYSA-N 0 0 454.552 2.930 40 0 JFABRN CS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)CC1 ZINC000226075834 570036177 /nfs/dbraw/zinc/03/61/77/570036177.db2.gz YDBQEKYBEHBWFY-UHFFFAOYSA-N 0 0 498.026 2.702 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1 ZINC000226085544 570036792 /nfs/dbraw/zinc/03/67/92/570036792.db2.gz UYPNGYGGDAAAAE-UHFFFAOYSA-N 0 0 470.551 2.793 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408776248 570040339 /nfs/dbraw/zinc/04/03/39/570040339.db2.gz XLYOPPUNOWVRML-YMFQVDJJSA-N 0 0 452.507 2.946 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408785117 570042733 /nfs/dbraw/zinc/04/27/33/570042733.db2.gz XWRVLCIBNDZSIP-VLOXRPPESA-N 0 0 480.517 2.863 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408785700 570042948 /nfs/dbraw/zinc/04/29/48/570042948.db2.gz AVURYDBEUCYLBE-WLJFKGHSSA-N 0 0 480.517 2.709 40 0 JFABRN Cc1c(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000408788476 570043516 /nfs/dbraw/zinc/04/35/16/570043516.db2.gz FSOVVJUQBBHNID-UHFFFAOYSA-N 0 0 468.579 2.692 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)occ(-c2ccccc2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238900275 570047402 /nfs/dbraw/zinc/04/74/02/570047402.db2.gz IKJNNQJEFRCUHB-WJCXGNHWSA-N 0 0 568.531 2.922 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000408862465 570057424 /nfs/dbraw/zinc/05/74/24/570057424.db2.gz JWAZHJFWSBQSQH-WVWKGNOCSA-N 0 0 465.575 2.762 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4O)c(=O)n32)cc1OCC ZINC000408932468 570080467 /nfs/dbraw/zinc/08/04/67/570080467.db2.gz CFFHLPIIKQGOLH-WCCCRJGXSA-N 0 0 480.542 2.521 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4OC)c(=O)n32)cc1OCC ZINC000408939748 570082340 /nfs/dbraw/zinc/08/23/40/570082340.db2.gz UFSPUTOXPHLZDO-SINAZASISA-N 0 0 494.569 2.824 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408975448 570089705 /nfs/dbraw/zinc/08/97/05/570089705.db2.gz KKYHIYAXLRMRAV-PZHBDVNGSA-N 0 0 464.543 2.903 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408981465 570090952 /nfs/dbraw/zinc/09/09/52/570090952.db2.gz HRCJXGMKVFJTBQ-GTENMVSRSA-N 0 0 486.571 2.583 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1ccccc1 ZINC000408992149 570094291 /nfs/dbraw/zinc/09/42/91/570094291.db2.gz ZVVJMFYEIGKJGW-ZRELAVNMSA-N 0 0 462.527 2.835 40 0 JFABRN CC(C)N1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCOCC2)C(=O)C1 ZINC000253394572 570095871 /nfs/dbraw/zinc/09/58/71/570095871.db2.gz BHFRVTONTFUHQA-BQNLEMKZSA-N 0 0 455.599 2.559 40 0 JFABRN O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)c1ccc(Br)cc1 ZINC000409000339 570096152 /nfs/dbraw/zinc/09/61/52/570096152.db2.gz VNLGZDLWTCFNBI-ROUUACIJSA-N 0 0 462.296 2.947 40 0 JFABRN COc1cccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC=C[C@@H](CNC(=O)[C@@H]3C2)O4)c1 ZINC000253405566 570097095 /nfs/dbraw/zinc/09/70/95/570097095.db2.gz SPZGOAPJIAYFNX-RSEQLOHWSA-N 0 0 491.588 2.634 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000409004298 570097329 /nfs/dbraw/zinc/09/73/29/570097329.db2.gz PFKTWZUXUQWNFX-UHFFFAOYSA-N 0 0 494.013 2.874 40 0 JFABRN COC(=O)COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1I ZINC000409010702 570099426 /nfs/dbraw/zinc/09/94/26/570099426.db2.gz DCPAAYSXHBPPMK-XNTDXEJSSA-N 0 0 478.242 2.940 40 0 JFABRN Cc1ccc(CN(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409018092 570101970 /nfs/dbraw/zinc/10/19/70/570101970.db2.gz QVUMQNZWKFRPBX-UHFFFAOYSA-N 0 0 463.987 2.563 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2cc(Cl)ccc2C)cc1 ZINC000409023694 570103843 /nfs/dbraw/zinc/10/38/43/570103843.db2.gz CDMLJZIGOCAGGE-UHFFFAOYSA-N 0 0 463.987 2.876 40 0 JFABRN COc1ccc(CCNC(=O)C2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000409024058 570103844 /nfs/dbraw/zinc/10/38/44/570103844.db2.gz SVRDTTDCNPQVEJ-UHFFFAOYSA-N 0 0 456.539 2.932 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2cc(C(C)C)ccc2C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253608963 570104515 /nfs/dbraw/zinc/10/45/15/570104515.db2.gz XPSRJIDOWVLUTQ-LKTXNROYSA-N 0 0 480.510 2.580 40 0 JFABRN COC(=O)[C@H](C)[C@@H]1c2cc(Br)cc(Br)c2OC(=O)[C@H]1C(=O)OC ZINC000253608916 570104526 /nfs/dbraw/zinc/10/45/26/570104526.db2.gz WTTLFVLYQYOQPQ-DIMCTHFVSA-N 0 0 450.079 2.813 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@H]3CCCO3)C[C@H]3CCCO3)cc2c1 ZINC000253616907 570105016 /nfs/dbraw/zinc/10/50/16/570105016.db2.gz JJVPKXUHQKUODZ-NHCUHLMSSA-N 0 0 468.558 2.686 40 0 JFABRN Cc1ccc(C(=O)OC[C@@H]2O[C@@H]3[C@@H](Oc4c(C)c(=O)ncn43)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000254350752 570105658 /nfs/dbraw/zinc/10/56/58/570105658.db2.gz RNKNDVPLZYXRLZ-IBPRQYQWSA-N 0 0 476.485 2.910 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OC)cc3OC)sc2=N1 ZINC000409030196 570105696 /nfs/dbraw/zinc/10/56/96/570105696.db2.gz CSAOPYADVKDXPI-VLOXRPPESA-N 0 0 464.543 2.816 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(OC)ccc3OC)sc2=N1 ZINC000409033311 570106105 /nfs/dbraw/zinc/10/61/05/570106105.db2.gz LGIXSRNRXJLBBP-VOSMRYOYSA-N 0 0 464.543 2.816 40 0 JFABRN COc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(I)c1O ZINC000254839905 570106318 /nfs/dbraw/zinc/10/63/18/570106318.db2.gz PEHKWFDUFBKFKX-UHFFFAOYSA-N 0 0 450.257 2.776 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccnc4)c(=O)n32)cc1 ZINC000409037310 570106812 /nfs/dbraw/zinc/10/68/12/570106812.db2.gz MVVHJJMJFDLSAS-IMEWXKHHSA-N 0 0 463.559 2.981 40 0 JFABRN COc1ccc(-c2noc(CCCC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)n2)cc1OC ZINC000257198581 570107430 /nfs/dbraw/zinc/10/74/30/570107430.db2.gz CSBRSKXTLBIZEI-FUHWJXTLSA-N 0 0 464.522 2.884 40 0 JFABRN CN1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)c3cc[nH]n3)CC2)CC1 ZINC000257199850 570107664 /nfs/dbraw/zinc/10/76/64/570107664.db2.gz ABAUBTBHBORTQI-UHFFFAOYSA-N 0 0 459.978 2.529 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(OC(C)=O)cc3)sc2=N1 ZINC000409042248 570107728 /nfs/dbraw/zinc/10/77/28/570107728.db2.gz WYQQFCDHPUTZSU-VOSMRYOYSA-N 0 0 462.527 2.724 40 0 JFABRN COc1ccccc1[C@H]1CN(C(=O)C(C)(C)NC(=O)Cc2ccc(F)cc2)CCN1C(C)=O ZINC000257205864 570109581 /nfs/dbraw/zinc/10/95/81/570109581.db2.gz BAWVTTUUAWFWEX-OAQYLSRUSA-N 0 0 455.530 2.704 40 0 JFABRN O=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@]2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000257206348 570109692 /nfs/dbraw/zinc/10/96/92/570109692.db2.gz BCYFHBKCEFBNLK-AREMUKBSSA-N 0 0 464.566 2.978 40 0 JFABRN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CN(S(=O)(=O)Cc1cccc(Cl)c1)CC2 ZINC000257207024 570109972 /nfs/dbraw/zinc/10/99/72/570109972.db2.gz BGAKNAOZLVDDSK-WXFUMESZSA-N 0 0 490.025 2.970 40 0 JFABRN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1)c1ccncc1 ZINC000257209254 570110740 /nfs/dbraw/zinc/11/07/40/570110740.db2.gz BPQKJPSNYDJQJH-XPGKHFPBSA-N 0 0 476.552 2.722 40 0 JFABRN CCN1C[C@@H](c2cc(N3CCOCC3)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O ZINC000257214999 570112610 /nfs/dbraw/zinc/11/26/10/570112610.db2.gz COGBMCJQQMLMKL-HNNXBMFYSA-N 0 0 468.945 2.807 40 0 JFABRN COc1ccccc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257219487 570114057 /nfs/dbraw/zinc/11/40/57/570114057.db2.gz DGYCKOPWEJJVQL-AVRDEDQJSA-N 0 0 456.514 2.993 40 0 JFABRN CN1C(=O)CCC[C@]12CN(C(=O)c1ccnc(N3CCOCC3)c1)C[C@H]2c1ccc(F)cc1 ZINC000257221282 570114451 /nfs/dbraw/zinc/11/44/51/570114451.db2.gz DOHJWTJTWNYJBX-SQJMNOBHSA-N 0 0 452.530 2.678 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@](COc3ccccc3)(CC(=O)N3CCOCC3)C2)cc1 ZINC000257221562 570114616 /nfs/dbraw/zinc/11/46/16/570114616.db2.gz DPPFMMOXNOSXQA-RUZDIDTESA-N 0 0 488.606 2.794 40 0 JFABRN Cc1cnc(NC(=O)CSc2nnc(CNC(=O)COc3c(C)cccc3C)n2C)s1 ZINC000409062091 570114857 /nfs/dbraw/zinc/11/48/57/570114857.db2.gz NFHXGUHJGJRBTO-UHFFFAOYSA-N 0 0 460.585 2.623 40 0 JFABRN CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(C)CCN(C(=O)C3CCCC3)CC2)C1 ZINC000257223163 570115027 /nfs/dbraw/zinc/11/50/27/570115027.db2.gz DWELYVWMUSILGB-SANMLTNESA-N 0 0 454.615 2.849 40 0 JFABRN CC(=O)N1CCN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257224749 570115618 /nfs/dbraw/zinc/11/56/18/570115618.db2.gz FDFAWMRHMLORNZ-FQEVSTJZSA-N 0 0 454.534 2.979 40 0 JFABRN Cc1nn(C)cc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1 ZINC000257225884 570115779 /nfs/dbraw/zinc/11/57/79/570115779.db2.gz FIFRZQYBZLROIN-UHFFFAOYSA-N 0 0 474.989 2.932 40 0 JFABRN CN1C(=O)N(CC(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)C(=O)C12CCCCC2 ZINC000257231234 570117363 /nfs/dbraw/zinc/11/73/63/570117363.db2.gz GFWUTDFKSPSSMQ-HXUWFJFHSA-N 0 0 454.571 2.785 40 0 JFABRN CN1C(=O)N(CC(=O)N2CCC[C@@H]2c2nc(Cc3ccc(F)cc3)n[nH]2)C(=O)C12CCCCC2 ZINC000257232479 570117865 /nfs/dbraw/zinc/11/78/65/570117865.db2.gz GLARJXUXCHBQQW-GOSISDBHSA-N 0 0 468.533 2.795 40 0 JFABRN COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2ccccc2OCCN2CCCC2=O)cc1 ZINC000257236120 570118900 /nfs/dbraw/zinc/11/89/00/570118900.db2.gz HAWAZPDLZJHAFY-QHCPKHFHSA-N 0 0 465.550 2.742 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@H]3CCN(C(=O)c4c(F)cccc4F)C3)n2)n[nH]1 ZINC000257236130 570119055 /nfs/dbraw/zinc/11/90/55/570119055.db2.gz HAXPXNNORQJOIA-QGZVFWFLSA-N 0 0 496.566 2.987 40 0 JFABRN CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1cccc(Nc2cc(C)nc(C)n2)c1 ZINC000257238934 570119920 /nfs/dbraw/zinc/11/99/20/570119920.db2.gz HNELSQWAKLKJFE-DEOSSOPVSA-N 0 0 472.593 2.952 40 0 JFABRN O=C(C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1Oc1cccc(Cl)c1)N1CCOCC1 ZINC000257240651 570120412 /nfs/dbraw/zinc/12/04/12/570120412.db2.gz HUNHXHNIELIPLO-RXVVDRJESA-N 0 0 450.963 2.611 40 0 JFABRN O=C(c1ccnc(N2CCOCC2)c1)N1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000257241891 570120632 /nfs/dbraw/zinc/12/06/32/570120632.db2.gz IACBYEKWBQXLFH-SQJMNOBHSA-N 0 0 452.530 2.726 40 0 JFABRN CN1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000257244924 570121477 /nfs/dbraw/zinc/12/14/77/570121477.db2.gz INIZUOSKYLANMF-VWLOTQADSA-N 0 0 489.613 2.840 40 0 JFABRN COc1ccc(-c2nccc([C@@H]3CCCN3C(=O)[C@@]3(C)CCCN(S(C)(=O)=O)C3)n2)cc1 ZINC000257252842 570123994 /nfs/dbraw/zinc/12/39/94/570123994.db2.gz JWHIVOPQWMOYJK-REWPJTCUSA-N 0 0 458.584 2.877 40 0 JFABRN O=C(c1cccc(Oc2ncccn2)c1)N1CC[C@@](O)(C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000257256683 570125285 /nfs/dbraw/zinc/12/52/85/570125285.db2.gz KMLZIQAVFMUKPL-AREMUKBSSA-N 0 0 459.550 2.668 40 0 JFABRN CCn1c(CCCC(=O)N2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)nc2ccccc21 ZINC000257257141 570125432 /nfs/dbraw/zinc/12/54/32/570125432.db2.gz KOFLDPKAVRLJEP-DHIUTWEWSA-N 0 0 459.550 2.877 40 0 JFABRN COc1cc(OC)cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)c1 ZINC000257258984 570126026 /nfs/dbraw/zinc/12/60/26/570126026.db2.gz KWJDVKGCYRFPDU-RDPSFJRHSA-N 0 0 468.550 2.862 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409095415 570126379 /nfs/dbraw/zinc/12/63/79/570126379.db2.gz HVLWCAWQCBVCGT-FGGAIWKESA-N 0 0 462.575 2.507 40 0 JFABRN O=C(c1cccc(OCCN2CCOCC2)c1)N1CCOC[C@H](Cc2cccc3n[nH]cc32)C1 ZINC000257260616 570126598 /nfs/dbraw/zinc/12/65/98/570126598.db2.gz LDQGFWLCJCXCMJ-HXUWFJFHSA-N 0 0 464.566 2.605 40 0 JFABRN COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)c3ccnc(N4CCOCC4)c3)C2)cc1 ZINC000257263993 570127683 /nfs/dbraw/zinc/12/76/83/570127683.db2.gz LSJVNPLZEUZELL-HXUWFJFHSA-N 0 0 474.565 2.986 40 0 JFABRN CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(C(=O)CCNc2ncnc3ccc(C)cc32)[C@H]1c1ccccc1 ZINC000257268201 570128944 /nfs/dbraw/zinc/12/89/44/570128944.db2.gz MKRKAJBNJDOYJC-LSQMVHIFSA-N 0 0 488.592 2.675 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1ccccc1OC ZINC000409106050 570130126 /nfs/dbraw/zinc/13/01/26/570130126.db2.gz LVLUYEVVDJCIJD-QFVBLGFASA-N 0 0 477.586 2.818 40 0 JFABRN CC(C)Cc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2ccc3cc(C(N)=O)ccc32)C1 ZINC000257278709 570132301 /nfs/dbraw/zinc/13/23/01/570132301.db2.gz ODIDRLSVLMLDGS-DHIUTWEWSA-N 0 0 459.550 2.733 40 0 JFABRN CC(C)c1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1 ZINC000409114646 570133488 /nfs/dbraw/zinc/13/34/88/570133488.db2.gz KRZTZMMTSPECBO-UHFFFAOYSA-N 0 0 453.586 2.611 40 0 JFABRN CC1(C)CC2(CN1S(C)(=O)=O)CCN(CC(=O)Nc1nc3ccc(F)cc3s1)CC2 ZINC000257284891 570134042 /nfs/dbraw/zinc/13/40/42/570134042.db2.gz PESVWZQVGHODOE-UHFFFAOYSA-N 0 0 454.593 2.900 40 0 JFABRN CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(C(=O)c2cccc(Oc3ncccn3)c2)[C@H]1c1ccccc1 ZINC000257288827 570135179 /nfs/dbraw/zinc/13/51/79/570135179.db2.gz PVWQQSWFMJCMHS-VABKMULXSA-N 0 0 473.533 2.818 40 0 JFABRN CC1(C)NC(=O)N(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccccc3F)CC2)C1=O ZINC000257295551 570137023 /nfs/dbraw/zinc/13/70/23/570137023.db2.gz QYUXOFZTVSHTPU-OAQYLSRUSA-N 0 0 486.588 2.708 40 0 JFABRN CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3cccc(C(F)(F)F)c3)CCN2C(C)=O)c1 ZINC000257299703 570138390 /nfs/dbraw/zinc/13/83/90/570138390.db2.gz RRCVEAKSABUMLS-HXUWFJFHSA-N 0 0 462.472 2.909 40 0 JFABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1ccccc1OCCN1CCCC1=O ZINC000257305004 570139839 /nfs/dbraw/zinc/13/98/39/570139839.db2.gz SOANKBSSWREVIU-JOCHJYFZSA-N 0 0 465.550 2.742 40 0 JFABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1ccccc1OCCN1CCCC1=O ZINC000257305005 570139844 /nfs/dbraw/zinc/13/98/44/570139844.db2.gz SOANKBSSWREVIU-QFIPXVFZSA-N 0 0 465.550 2.742 40 0 JFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)[C@H]3CCC(=O)NC(=O)N3)C2)n1 ZINC000257309525 570141235 /nfs/dbraw/zinc/14/12/35/570141235.db2.gz UBHBWCDZJYEYDA-CRAIPNDOSA-N 0 0 470.961 2.557 40 0 JFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)NC(=O)N3)C2)n1 ZINC000257309527 570141321 /nfs/dbraw/zinc/14/13/21/570141321.db2.gz UBHBWCDZJYEYDA-QAPCUYQASA-N 0 0 470.961 2.557 40 0 JFABRN CC(C)n1nccc1NC(=O)CN1CCC[C@@H]1c1ccnc2c(C(=O)NC3CCCC3)cnn21 ZINC000257309672 570141345 /nfs/dbraw/zinc/14/13/45/570141345.db2.gz UBXASBBBJZUKCJ-LJQANCHMSA-N 0 0 464.574 2.955 40 0 JFABRN COc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(N)=O)cc1NCc1cccnc1 ZINC000257310695 570141572 /nfs/dbraw/zinc/14/15/72/570141572.db2.gz UGDLNQRUFQZJOA-HSZRJFAPSA-N 0 0 459.550 2.514 40 0 JFABRN Cn1cc(-c2ccc(C(=O)N3CCC[C@@]4(CN(CCc5ccccc5)C(=O)CO4)CC3)cn2)cn1 ZINC000257312638 570142322 /nfs/dbraw/zinc/14/23/22/570142322.db2.gz UOXNWQWWZXCYNC-MHZLTWQESA-N 0 0 473.577 2.949 40 0 JFABRN NC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)cc3Cl)cc2)C1 ZINC000409136269 570142389 /nfs/dbraw/zinc/14/23/89/570142389.db2.gz SXJSUDNKLGWVTC-NSHDSACASA-N 0 0 466.719 2.958 40 0 JFABRN CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCC(F)(F)CC1 ZINC000257316510 570143555 /nfs/dbraw/zinc/14/35/55/570143555.db2.gz VFXDUQBXFNLTTP-SLWXAUBPSA-N 0 0 472.504 2.813 40 0 JFABRN O=C(C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1Oc1ccc(Cl)cc1)N1CCOCC1 ZINC000257320790 570144653 /nfs/dbraw/zinc/14/46/53/570144653.db2.gz VYRCQLUJUJDCPV-RXVVDRJESA-N 0 0 450.963 2.611 40 0 JFABRN O=C(CN1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)CCCC(=O)N2)NCCc1nc2ccccc2[nH]1 ZINC000257321473 570144758 /nfs/dbraw/zinc/14/47/58/570144758.db2.gz WBVMANWCXFYBPP-SSOJOUAXSA-N 0 0 467.520 2.638 40 0 JFABRN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CN(CC(=O)Nc1ccc(C)c(F)c1)CC2 ZINC000257323953 570145632 /nfs/dbraw/zinc/14/56/32/570145632.db2.gz WMOQDUGEEVHBFE-DNRSQYFGSA-N 0 0 466.557 2.873 40 0 JFABRN CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)CN2CCOCC2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257325829 570146283 /nfs/dbraw/zinc/14/62/83/570146283.db2.gz WUOXOLWQOFUAOE-DHLKQENFSA-N 0 0 483.584 2.803 40 0 JFABRN COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)CNC(=O)c4cncc(O)c4)C3)o2)c1 ZINC000257326854 570146555 /nfs/dbraw/zinc/14/65/55/570146555.db2.gz WYXNDQIPPBDAJS-KRWDZBQOSA-N 0 0 450.495 2.511 40 0 JFABRN O=C(COc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000257330026 570147577 /nfs/dbraw/zinc/14/75/77/570147577.db2.gz XMLVFGBIBLWLLN-QFIPXVFZSA-N 0 0 496.608 2.550 40 0 JFABRN COc1cccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)c1 ZINC000257333921 570148759 /nfs/dbraw/zinc/14/87/59/570148759.db2.gz YDRLFXKDTGLCQQ-URXFXBBRSA-N 0 0 451.567 2.769 40 0 JFABRN Cn1c(CNC(=O)CN2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)CCCC(=O)N3)nc2ccccc21 ZINC000257336129 570149280 /nfs/dbraw/zinc/14/92/80/570149280.db2.gz YNIIYFWBPHKZKQ-SSOJOUAXSA-N 0 0 467.520 2.606 40 0 JFABRN Cc1cc(C)n(CC(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCOCC3)C2)n1 ZINC000257338000 570149799 /nfs/dbraw/zinc/14/97/99/570149799.db2.gz YVJPXZZFOBPBAO-UGKGYDQZSA-N 0 0 474.989 2.698 40 0 JFABRN COc1ccccc1CC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257338667 570149964 /nfs/dbraw/zinc/14/99/64/570149964.db2.gz YYKKAJLEETVBNG-RDPSFJRHSA-N 0 0 470.541 2.922 40 0 JFABRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)NCc3ccccc3)n2C)cc1 ZINC000409157892 570151061 /nfs/dbraw/zinc/15/10/61/570151061.db2.gz NSJNIRBPPDKJQX-KRWDZBQOSA-N 0 0 467.595 2.870 40 0 JFABRN CC(C)c1ccc(OCC(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2C)cc1 ZINC000409160894 570152016 /nfs/dbraw/zinc/15/20/16/570152016.db2.gz XUXIOTOTIUYPKH-UHFFFAOYSA-N 0 0 460.585 2.821 40 0 JFABRN CC(=O)OC[C@]12CC[C@H](OC(C)=O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@@]12O ZINC000257349707 570152988 /nfs/dbraw/zinc/15/29/88/570152988.db2.gz QMLGTZOEQLNEEK-XAJZJVRXSA-N 0 0 450.572 2.939 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260707314 570154646 /nfs/dbraw/zinc/15/46/46/570154646.db2.gz BHWNYQCLWWYJEY-LJQANCHMSA-N 0 0 487.622 2.906 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260710522 570154866 /nfs/dbraw/zinc/15/48/66/570154866.db2.gz CRFYNBKYJNSJDR-LJQANCHMSA-N 0 0 487.622 2.906 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1F)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C ZINC000260720273 570155214 /nfs/dbraw/zinc/15/52/14/570155214.db2.gz GNEZJEFDZMVNSU-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN C[C@@H]1CCCCN1c1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCCN2CCOCC2)n1 ZINC000260735242 570155707 /nfs/dbraw/zinc/15/57/07/570155707.db2.gz GEZAQEZKWRLIJU-RBUKOAKNSA-N 0 0 461.680 2.710 40 0 JFABRN Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1 ZINC000260737199 570155837 /nfs/dbraw/zinc/15/58/37/570155837.db2.gz LKVQNRAASWEODD-OAQYLSRUSA-N 0 0 488.654 2.858 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc2O1 ZINC000260746445 570156346 /nfs/dbraw/zinc/15/63/46/570156346.db2.gz RXIHPFZLGOYRJC-YWZLYKJASA-N 0 0 478.954 2.708 40 0 JFABRN Cc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260751026 570156500 /nfs/dbraw/zinc/15/65/00/570156500.db2.gz PJQKPNIRRNMZQD-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260755879 570156727 /nfs/dbraw/zinc/15/67/27/570156727.db2.gz DPXOPZTVPXNXPJ-LJQANCHMSA-N 0 0 487.622 2.937 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cc1OC ZINC000260770278 570157520 /nfs/dbraw/zinc/15/75/20/570157520.db2.gz RQJTXBHYVKBSMS-GOSISDBHSA-N 0 0 476.595 2.723 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C ZINC000260771677 570157644 /nfs/dbraw/zinc/15/76/44/570157644.db2.gz WXXCPRSDEOJXPA-QGZVFWFLSA-N 0 0 481.565 2.981 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccccc3Cl)C2)cc1 ZINC000260850933 570160769 /nfs/dbraw/zinc/16/07/69/570160769.db2.gz UDUBGRCKOJQQAY-INIZCTEOSA-N 0 0 452.960 2.945 40 0 JFABRN CCc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260853856 570160909 /nfs/dbraw/zinc/16/09/09/570160909.db2.gz AYKQMHPGHLFQTM-JOCHJYFZSA-N 0 0 459.612 2.611 40 0 JFABRN CCc1ccc(N(CCCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260858346 570161051 /nfs/dbraw/zinc/16/10/51/570161051.db2.gz OCKVLIYDTMGTAC-LJQANCHMSA-N 0 0 489.638 2.967 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260862986 570161107 /nfs/dbraw/zinc/16/11/07/570161107.db2.gz UBHDUOMFDBBQFO-JOCHJYFZSA-N 0 0 475.611 2.713 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260861015 570161119 /nfs/dbraw/zinc/16/11/19/570161119.db2.gz BHTPZUQRICEXLI-GOSISDBHSA-N 0 0 493.601 2.790 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260875612 570161319 /nfs/dbraw/zinc/16/13/19/570161319.db2.gz GSBUAVNQFDZHBU-LJQANCHMSA-N 0 0 475.611 2.651 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260871843 570161355 /nfs/dbraw/zinc/16/13/55/570161355.db2.gz KNPARJKJCLRXHO-QGZVFWFLSA-N 0 0 479.574 2.542 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000260882203 570161413 /nfs/dbraw/zinc/16/14/13/570161413.db2.gz IPSWIDXTDMHYGS-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000260884698 570161475 /nfs/dbraw/zinc/16/14/75/570161475.db2.gz JJDKSABAFRKRDK-MOPGFXCFSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000260888415 570161765 /nfs/dbraw/zinc/16/17/65/570161765.db2.gz AQAGGMRHDDFDPW-YOEHRIQHSA-N 0 0 456.923 2.980 40 0 JFABRN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NC[C@H]1COc2ccccc2O1 ZINC000260890363 570161866 /nfs/dbraw/zinc/16/18/66/570161866.db2.gz CPCZCKZQYAZGMC-IBGZPJMESA-N 0 0 496.541 2.609 40 0 JFABRN Cc1ccc(C)c(N([C@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000260894855 570162170 /nfs/dbraw/zinc/16/21/70/570162170.db2.gz FYOCZVOSUJVGAD-HXUWFJFHSA-N 0 0 459.612 2.607 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260908933 570163280 /nfs/dbraw/zinc/16/32/80/570163280.db2.gz QCWXMMWOFMUYPL-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN CCc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000260912163 570163440 /nfs/dbraw/zinc/16/34/40/570163440.db2.gz AKQZUONNTJKCDB-CVEARBPZSA-N 0 0 452.598 2.684 40 0 JFABRN CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000409198721 570164361 /nfs/dbraw/zinc/16/43/61/570164361.db2.gz KFEOJXQIOFMTCO-MRXNPFEDSA-N 0 0 450.557 2.518 40 0 JFABRN COc1cccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000260923992 570164513 /nfs/dbraw/zinc/16/45/13/570164513.db2.gz UVLUYGTWFUMPCA-HXUWFJFHSA-N 0 0 489.638 2.693 40 0 JFABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@H]2CCCO2)N1CCCN1CCOCC1 ZINC000260926905 570164786 /nfs/dbraw/zinc/16/47/86/570164786.db2.gz WWNPZXYZNBTLPS-PTUXOGIPSA-N 0 0 455.628 2.757 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1Cl ZINC000260930929 570165018 /nfs/dbraw/zinc/16/50/18/570165018.db2.gz LGNFGSPDNBLFCX-UONOGXRCSA-N 0 0 489.015 2.784 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000260931642 570165126 /nfs/dbraw/zinc/16/51/26/570165126.db2.gz HSTNWIJAPUHQTP-ROUUACIJSA-N 0 0 493.601 2.932 40 0 JFABRN Cc1ccc(N(CCCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000260934950 570165227 /nfs/dbraw/zinc/16/52/27/570165227.db2.gz NSODJNNKUYBXJY-QGZVFWFLSA-N 0 0 452.598 2.822 40 0 JFABRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc(OC)c1O ZINC000409201739 570165564 /nfs/dbraw/zinc/16/55/64/570165564.db2.gz PISVDOFTYZFOAD-GIJQJNRQSA-N 0 0 472.475 2.856 40 0 JFABRN Cc1cccc(N(CCCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000260941192 570165690 /nfs/dbraw/zinc/16/56/90/570165690.db2.gz RLFHAVGJQQQIKO-QGZVFWFLSA-N 0 0 452.598 2.822 40 0 JFABRN COc1ccc(N(CCCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000260945369 570165725 /nfs/dbraw/zinc/16/57/25/570165725.db2.gz URMDFPUXKGFTLY-MRXNPFEDSA-N 0 0 468.597 2.522 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000261001286 570166688 /nfs/dbraw/zinc/16/66/88/570166688.db2.gz RSFRITXUZQIFHC-PMACEKPBSA-N 0 0 489.638 2.836 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000261024847 570166919 /nfs/dbraw/zinc/16/69/19/570166919.db2.gz WLVPHLALMGDPCA-OALUTQOASA-N 0 0 477.602 2.966 40 0 JFABRN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccccc1N1CCOCC1 ZINC000409207997 570167983 /nfs/dbraw/zinc/16/79/83/570167983.db2.gz DQZCSGNVXBHZPF-UHFFFAOYSA-N 0 0 494.621 2.667 40 0 JFABRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc(OC)c1O ZINC000409213194 570170900 /nfs/dbraw/zinc/17/09/00/570170900.db2.gz RLHHLPMQJYYXSL-DEDYPNTBSA-N 0 0 499.545 2.921 40 0 JFABRN CCOC(=O)Cn1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c2ccccc21 ZINC000409225848 570175978 /nfs/dbraw/zinc/17/59/78/570175978.db2.gz MGEUDNFYGCCDID-XDHOZWIPSA-N 0 0 476.489 2.744 40 0 JFABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)ccc1OCC(=O)OC ZINC000409229855 570177277 /nfs/dbraw/zinc/17/72/77/570177277.db2.gz AOPXVXJCFUQWJP-XDHOZWIPSA-N 0 0 481.505 2.731 40 0 JFABRN CCCN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)OC)c(OCC)c2)C1=O ZINC000409236153 570179781 /nfs/dbraw/zinc/17/97/81/570179781.db2.gz DNBATVPOIGAWRB-MDWZMJQESA-N 0 0 488.278 2.544 40 0 JFABRN COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000409243514 570182972 /nfs/dbraw/zinc/18/29/72/570182972.db2.gz RVKNYFBLRJIJOP-UHFFFAOYSA-N 0 0 454.548 2.911 40 0 JFABRN C[C@@H](CO)Nc1nc(Nc2ccc(I)cc2F)cc(C(F)(F)F)n1 ZINC000329067998 570183729 /nfs/dbraw/zinc/18/37/29/570183729.db2.gz YLSAAILYPNVEKI-ZETCQYMHSA-N 0 0 456.181 2.619 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000408533990 570189358 /nfs/dbraw/zinc/18/93/58/570189358.db2.gz RVVWUFKMMUULMZ-AWEZNQCLSA-N 0 0 478.398 2.695 40 0 JFABRN Cn1c(CN2CCOCC2)nnc1SCC(=O)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 ZINC000408536913 570190620 /nfs/dbraw/zinc/19/06/20/570190620.db2.gz TZCLNFAPXFSAPS-SJLPKXTDSA-N 0 0 455.609 2.742 40 0 JFABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)C1=O ZINC000408548613 570194164 /nfs/dbraw/zinc/19/41/64/570194164.db2.gz JSUQTDCCAYSSOZ-MHWRWJLKSA-N 0 0 488.294 2.532 40 0 JFABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000408548911 570194358 /nfs/dbraw/zinc/19/43/58/570194358.db2.gz NFZGVZHAPKIRBC-CXUHLZMHSA-N 0 0 461.833 2.562 40 0 JFABRN CC[C@@H](C)Oc1c(I)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC ZINC000408549602 570194716 /nfs/dbraw/zinc/19/47/16/570194716.db2.gz VNRHJPFVRJVOHF-SRMXYGTFSA-N 0 0 488.278 2.543 40 0 JFABRN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 ZINC000408550191 570194873 /nfs/dbraw/zinc/19/48/73/570194873.db2.gz BAYJLZCSBJYIOO-INIZCTEOSA-N 0 0 462.524 2.530 40 0 JFABRN NC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000408554339 570196245 /nfs/dbraw/zinc/19/62/45/570196245.db2.gz CKXNRKPOQFLLDX-UHFFFAOYSA-N 0 0 486.377 2.897 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000408556584 570197548 /nfs/dbraw/zinc/19/75/48/570197548.db2.gz IRGVUJMYHGKYDN-UHFFFAOYSA-N 0 0 469.966 2.895 40 0 JFABRN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3F)c2)CC1 ZINC000408557165 570198087 /nfs/dbraw/zinc/19/80/87/570198087.db2.gz LSVGVWJOHLPDJP-UHFFFAOYSA-N 0 0 465.503 2.549 40 0 JFABRN NC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000408559051 570199377 /nfs/dbraw/zinc/19/93/77/570199377.db2.gz KYRACXORTPDJGK-UHFFFAOYSA-N 0 0 485.484 2.609 40 0 JFABRN CN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000408559058 570199434 /nfs/dbraw/zinc/19/94/34/570199434.db2.gz UEZURSOGKJQZSB-UHFFFAOYSA-N 0 0 458.367 2.947 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000408559650 570199845 /nfs/dbraw/zinc/19/98/45/570199845.db2.gz APOTYABPFGRIRZ-UHFFFAOYSA-N 0 0 465.531 2.863 40 0 JFABRN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(NC(=O)c3ccccc3F)c2)CC1 ZINC000408562074 570201538 /nfs/dbraw/zinc/20/15/38/570201538.db2.gz XPSMTITUANCPNF-UHFFFAOYSA-N 0 0 479.530 2.940 40 0 JFABRN O=C(COc1ccc(N2C[C@@H](C(=O)NCCCn3ccnc3)CC2=O)cc1)Nc1ccc(F)cc1 ZINC000408576403 570205884 /nfs/dbraw/zinc/20/58/84/570205884.db2.gz GXLCCSFLPGEMKK-SFHVURJKSA-N 0 0 479.512 2.599 40 0 JFABRN C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000408578043 570206258 /nfs/dbraw/zinc/20/62/58/570206258.db2.gz KBLVRFHKNAOXSZ-UONOGXRCSA-N 0 0 480.348 2.861 40 0 JFABRN C[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000408583394 570207294 /nfs/dbraw/zinc/20/72/94/570207294.db2.gz ZPYAIZBZDNLESL-KBPBESRZSA-N 0 0 480.348 2.861 40 0 JFABRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408587775 570208477 /nfs/dbraw/zinc/20/84/77/570208477.db2.gz CEHFKMNRZUPJIA-GULCCPCXSA-N 0 0 453.608 2.945 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)NCCN1CCOCC1 ZINC000408593110 570209625 /nfs/dbraw/zinc/20/96/25/570209625.db2.gz MKOPWWRNEXMEEH-UHFFFAOYSA-N 0 0 488.393 2.621 40 0 JFABRN COc1c2c(c(C)c3c1C[C@@H]1[C@@](C)(C[C@]4(O)OC[C@]5(C)O[C@@]6(OC)CC[C@]1(C)[C@]54O6)O3)COC2=O ZINC000253389131 291486254 /nfs/dbraw/zinc/48/62/54/291486254.db2.gz UEVWVMGTABEFID-FHMMDSSKSA-N 0 0 488.533 2.751 40 0 biogenic,in-vitro JFABRN O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@H]2CC(=O)N(CCN3CCNC3=O)CC[C@H]2C1 ZINC000015673224 291490321 /nfs/dbraw/zinc/49/03/21/291490321.db2.gz PXZLRYVWYAAIBT-HOTGVXAUSA-N 0 0 467.492 2.823 40 0 biogenic,in-vitro JFABRN COc1cc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1OC ZINC000000918958 193968980 /nfs/dbraw/zinc/96/89/80/193968980.db2.gz NCLAUKOZCNWTJW-GOSISDBHSA-N 0 0 458.536 2.915 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCCC3)n2CC)cc1 ZINC000000920646 193971786 /nfs/dbraw/zinc/97/17/86/193971786.db2.gz IAQHVHVDCQFPBU-UHFFFAOYSA-N 0 0 451.618 2.710 40 0 JFABRN COc1cccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)c1 ZINC000000922822 193973853 /nfs/dbraw/zinc/97/38/53/193973853.db2.gz SEBZCGNFHWSTKJ-UHFFFAOYSA-N 0 0 493.651 2.771 40 0 JFABRN Cc1ccc(Cn2c(SCC(=O)Nc3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000930505 193982377 /nfs/dbraw/zinc/98/23/77/193982377.db2.gz ZGWICENIPJKKHN-UHFFFAOYSA-N 0 0 467.526 2.660 40 0 JFABRN C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)C1 ZINC000000931298 193983295 /nfs/dbraw/zinc/98/32/95/193983295.db2.gz JCYQTBXHNOBAEA-INIZCTEOSA-N 0 0 463.629 2.617 40 0 JFABRN COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc43)c(=O)[nH]c2c1 ZINC000001224856 194076202 /nfs/dbraw/zinc/07/62/02/194076202.db2.gz VKBLGFUVFAIWBN-WMZHIEFXSA-N 0 0 458.522 2.854 40 0 JFABRN COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)CC2)cc1OC ZINC000001324644 194085896 /nfs/dbraw/zinc/08/58/96/194085896.db2.gz QUCILHKFKMUZMU-UHFFFAOYSA-N 0 0 488.548 2.908 40 0 JFABRN O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)N1CCCC1 ZINC000001327676 194087970 /nfs/dbraw/zinc/08/79/70/194087970.db2.gz GEUFIGZINGIKOL-UHFFFAOYSA-N 0 0 474.608 2.916 40 0 JFABRN COc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)C2)cc1 ZINC000001334633 194093443 /nfs/dbraw/zinc/09/34/43/194093443.db2.gz IBNZIWDWHMOWGX-KRWDZBQOSA-N 0 0 462.485 2.730 40 0 JFABRN Cc1cc2cc(CN(C[C@@H]3COCCO3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2cc1C ZINC000001335258 194093985 /nfs/dbraw/zinc/09/39/85/194093985.db2.gz BZTHWVPKXDQAMV-LJQANCHMSA-N 0 0 460.527 2.890 40 0 JFABRN COc1ccc(CCn2nnnc2[C@H](c2ccc(C)cc2)N2CCC(C(N)=O)CC2)cc1OC ZINC000001353723 194100224 /nfs/dbraw/zinc/10/02/24/194100224.db2.gz MCBBBQGJTADRBR-QHCPKHFHSA-N 0 0 464.570 2.528 40 0 JFABRN COc1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)C2)cc1OC ZINC000001334272 194092904 /nfs/dbraw/zinc/09/29/04/194092904.db2.gz JAMYAZWQKBCAQD-LJQANCHMSA-N 0 0 488.548 2.908 40 0 JFABRN COc1cccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)C2)c1 ZINC000001334364 194093113 /nfs/dbraw/zinc/09/31/13/194093113.db2.gz DIIKBIPSCAFTFM-LJQANCHMSA-N 0 0 458.522 2.900 40 0 JFABRN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c(C)c1 ZINC000001365314 194103667 /nfs/dbraw/zinc/10/36/67/194103667.db2.gz KMWJKNCCLDEWNU-GOSISDBHSA-N 0 0 454.556 2.627 40 0 JFABRN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001365373 194103789 /nfs/dbraw/zinc/10/37/89/194103789.db2.gz TWLMGGVJSJAAIN-GOSISDBHSA-N 0 0 462.535 2.855 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCCC1)C[C@H]1CCCO1)OCCO3 ZINC000001373790 194107720 /nfs/dbraw/zinc/10/77/20/194107720.db2.gz OGCMFFNRUPIXBT-HXUWFJFHSA-N 0 0 480.569 2.972 40 0 JFABRN COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4cccc(F)c4)c(=O)[nH]3)CC2)cc1 ZINC000001355259 194100845 /nfs/dbraw/zinc/10/08/45/194100845.db2.gz NZZDKGITVBANJE-UHFFFAOYSA-N 0 0 462.485 2.730 40 0 JFABRN Nc1nc(N)nc(CNc2c(Br)cc(Br)cc2Br)n1 ZINC000001607505 194129154 /nfs/dbraw/zinc/12/91/54/194129154.db2.gz BCCWUZMBQDRYHG-UHFFFAOYSA-N 0 0 452.936 2.936 40 0 JFABRN COC(=O)c1ccc(NC(=O)c2cc(=O)n(Cc3cccnc3)/c(=N/Cc3cccnc3)s2)cc1 ZINC000001442133 194121504 /nfs/dbraw/zinc/12/15/04/194121504.db2.gz APPHEOCFWHIXPX-FVDSYPCUSA-N 0 0 487.541 2.888 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)cc3)C2=O)cc1 ZINC000001752144 194134394 /nfs/dbraw/zinc/13/43/94/194134394.db2.gz ZWGHUSCVDQBZJC-DHDCSXOGSA-N 0 0 496.364 2.772 40 0 JFABRN COc1ccc(OC)c(N(CCN2C(=O)c3ccccc3C2=O)C(=O)[C@@H]2CCC(=O)[C@H]2C)c1 ZINC000001753240 194134445 /nfs/dbraw/zinc/13/44/45/194134445.db2.gz HMKVEALMQQSOHB-DOTOQJQBSA-N 0 0 450.491 2.948 40 0 JFABRN COc1cc(C(=O)Oc2c(OC)cc(C(=S)N3CCOCC3)cc2OC)cc(OC)c1OC ZINC000003664519 194356353 /nfs/dbraw/zinc/35/63/53/194356353.db2.gz ALHDWYHWEVEFHA-UHFFFAOYSA-N 0 0 477.535 2.957 40 0 JFABRN COC(=O)[C@H](NC(=O)[C@@H]1C[C@H](NC(=O)Nc2cccc(SC)c2)CN1C(=O)C=C(C)C)C(C)C ZINC000003838915 194362597 /nfs/dbraw/zinc/36/25/97/194362597.db2.gz WFRVWGYSAHXTIQ-HFSMHLIXSA-N 0 0 490.626 2.780 40 0 biogenic,in-vitro JFABRN CCCS(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(OC)cc2)C1 ZINC000003841413 194363543 /nfs/dbraw/zinc/36/35/43/194363543.db2.gz DPSNWHUHBWUSBY-JKSUJKDBSA-N 0 0 460.556 2.660 40 0 biogenic,in-vitro JFABRN COc1ccc(C(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000004236289 194385319 /nfs/dbraw/zinc/38/53/19/194385319.db2.gz OCCBJWACFOVUPF-DOTOQJQBSA-N 0 0 485.587 2.979 40 0 biogenic,in-vitro JFABRN CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](n4nnnc4Sc4ccccc4)CO[C@H]23)cc1 ZINC000004259302 194386539 /nfs/dbraw/zinc/38/65/39/194386539.db2.gz QKOGJSUOPIWJPV-MTQWCTHYSA-N 0 0 467.507 2.983 40 0 biogenic,in-vitro JFABRN COc1ccccc1N(C(=O)CNS(=O)(=O)c1ccccc1)[C@H](C(=O)NCc1ccco1)C(C)C ZINC000004354819 194388084 /nfs/dbraw/zinc/38/80/84/194388084.db2.gz KGXFBVRBCDGFHV-DEOSSOPVSA-N 0 0 499.589 2.941 40 0 JFABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccco2)cc1 ZINC000004355779 194388267 /nfs/dbraw/zinc/38/82/67/194388267.db2.gz YFICKPRRHYSSLF-GOSISDBHSA-N 0 0 485.566 2.724 40 0 JFABRN CC(C)[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1 ZINC000004375509 194388690 /nfs/dbraw/zinc/38/86/90/194388690.db2.gz YPQIHAPSKLWLTQ-JOCHJYFZSA-N 0 0 461.584 2.670 40 0 JFABRN CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4cccnc4)c(=O)n2C3)cc1 ZINC000005396973 194405591 /nfs/dbraw/zinc/40/55/91/194405591.db2.gz FLTCVJGCULJUIA-PKOBYXMFSA-N 0 0 464.547 2.677 40 0 biogenic,in-vitro JFABRN CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006075159 194411694 /nfs/dbraw/zinc/41/16/94/194411694.db2.gz XCIOFCWHRVULSW-UNMCSNQZSA-N 0 0 495.559 2.538 40 0 JFABRN CC(C)CCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C(F)(F)F ZINC000006134022 194412968 /nfs/dbraw/zinc/41/29/68/194412968.db2.gz CVCRZYFQELQAEK-UHFFFAOYSA-N 0 0 457.478 2.652 40 0 JFABRN CC(C)CCNC(=O)[C@H](c1ccco1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 ZINC000006134609 194413325 /nfs/dbraw/zinc/41/33/25/194413325.db2.gz RQRSWUKBBVYIFY-SFHVURJKSA-N 0 0 455.540 2.968 40 0 JFABRN COC(=O)c1ccccc1NC(=S)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006136124 194413689 /nfs/dbraw/zinc/41/36/89/194413689.db2.gz XCRVKWHBEIGGAM-UHFFFAOYSA-N 0 0 483.546 2.667 40 0 JFABRN COC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000006320683 194424435 /nfs/dbraw/zinc/42/44/35/194424435.db2.gz JWBLTTIXAZVRAY-UHFFFAOYSA-N 0 0 458.536 2.505 40 0 JFABRN CCOCCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC1CCCC1)c1ccco1 ZINC000006600085 194432687 /nfs/dbraw/zinc/43/26/87/194432687.db2.gz SGQUHUKUFYQIJZ-QFIPXVFZSA-N 0 0 484.557 2.890 40 0 JFABRN CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(C)cc1 ZINC000006600109 194432690 /nfs/dbraw/zinc/43/26/90/194432690.db2.gz ZZWQAURMGLPGPJ-HXUWFJFHSA-N 0 0 489.642 2.905 40 0 JFABRN CCC[C@H](C(=O)NCCC(C)C)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000006501476 194429663 /nfs/dbraw/zinc/42/96/63/194429663.db2.gz FIYAGCVTJXQREQ-CQSZACIVSA-N 0 0 451.618 2.859 40 0 JFABRN CCC[C@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 ZINC000006501508 194429739 /nfs/dbraw/zinc/42/97/39/194429739.db2.gz VPSDLBPPIZTQJT-MRXNPFEDSA-N 0 0 461.588 2.811 40 0 JFABRN CCOC(=O)CN(C(=O)CSc1nnc(Cn2nnc3ccccc32)o1)c1ccccc1 ZINC000006546453 194430394 /nfs/dbraw/zinc/43/03/94/194430394.db2.gz GNOXHPIZHWZXFR-UHFFFAOYSA-N 0 0 452.496 2.551 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3nnc(C)s3)n2CC)cc1 ZINC000006878505 194435276 /nfs/dbraw/zinc/43/52/76/194435276.db2.gz MQYKIFZPCFEGFG-UHFFFAOYSA-N 0 0 495.656 2.886 40 0 JFABRN O=C(NC1CCCCC1)C(=O)N(C[C@@H]1CCCO1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1F ZINC000012641387 195071208 /nfs/dbraw/zinc/07/12/08/195071208.db2.gz LSFUSDITIMIMKV-SXWKCWPCSA-N 0 0 489.588 2.619 40 0 JFABRN CCC(C)(C)NC(=O)[C@H]1N(C2CCCC2)C(=O)[C@H]2[C@@H](C(=O)NCc3cccs3)[C@H]3C=C[C@@]12O3 ZINC000012645295 195073887 /nfs/dbraw/zinc/07/38/87/195073887.db2.gz OFTGLLBKGULVDB-DFMTZNLUSA-N 0 0 471.623 2.762 40 0 JFABRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c2)C[C@@H](C)O1 ZINC000012661149 195081137 /nfs/dbraw/zinc/08/11/37/195081137.db2.gz BYLRACUWOMCBFA-NLJKLAEJSA-N 0 0 466.600 2.582 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)[C@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000012701465 195091471 /nfs/dbraw/zinc/09/14/71/195091471.db2.gz JLOFMDVIBUHPRM-MRXNPFEDSA-N 0 0 496.543 2.977 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000012701718 195091739 /nfs/dbraw/zinc/09/17/39/195091739.db2.gz INYDXDAHQZGDKZ-MRXNPFEDSA-N 0 0 494.527 2.731 40 0 JFABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2F)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000012703334 195091875 /nfs/dbraw/zinc/09/18/75/195091875.db2.gz ICLIXKNAUGNYDT-LJQANCHMSA-N 0 0 485.541 2.999 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000012705153 195092400 /nfs/dbraw/zinc/09/24/00/195092400.db2.gz XDSLMNIUWMJPSZ-UHFFFAOYSA-N 0 0 490.564 2.902 40 0 JFABRN COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC ZINC000012705135 195092417 /nfs/dbraw/zinc/09/24/17/195092417.db2.gz YINDIXDAMUBGNI-UHFFFAOYSA-N 0 0 496.543 2.979 40 0 JFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1 ZINC000012711219 195095219 /nfs/dbraw/zinc/09/52/19/195095219.db2.gz YUIGKMMJXLAFOB-DNVCBOLYSA-N 0 0 499.618 2.877 40 0 JFABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000012714697 195096688 /nfs/dbraw/zinc/09/66/88/195096688.db2.gz BIVLLGCNSAILIK-SFHVURJKSA-N 0 0 471.539 2.761 40 0 JFABRN COc1cc2c(cc1/C=C/C(=O)N1CCN(C(=O)[C@H]3COc4ccccc4O3)CC1)O[C@@H](C)C2 ZINC000012727585 195097865 /nfs/dbraw/zinc/09/78/65/195097865.db2.gz YVAQUCFWKODKPW-CKCDUPQNSA-N 0 0 464.518 2.543 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000020802425 195227375 /nfs/dbraw/zinc/22/73/75/195227375.db2.gz IUNFUUPAJJPORP-SFTDATJTSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cc(OC)ccc1OC ZINC000020802492 195227644 /nfs/dbraw/zinc/22/76/44/195227644.db2.gz ZIKZPVDNJTUTMS-SFTDATJTSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cc(OC)ccc3[nH]c2=O)CC1 ZINC000057531012 195350640 /nfs/dbraw/zinc/35/06/40/195350640.db2.gz YJHWVNNCAVNVTL-FQEVSTJZSA-N 0 0 468.558 2.643 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)N3CCC(O)CC3)cc2c1 ZINC000057589514 195351310 /nfs/dbraw/zinc/35/13/10/195351310.db2.gz TXSBTMJPJVAOGD-DEOSSOPVSA-N 0 0 474.565 2.680 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCC(O)CC3)cc2c1 ZINC000057594831 195352003 /nfs/dbraw/zinc/35/20/03/195352003.db2.gz SMJJUDZGFDZAHF-JOCHJYFZSA-N 0 0 452.559 2.965 40 0 JFABRN COc1ccc(Cn2nnnc2CN(Cc2cc3cc(OC)ccc3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000057607897 195353032 /nfs/dbraw/zinc/35/30/32/195353032.db2.gz SIFISJYVBZQKJW-QHCPKHFHSA-N 0 0 490.564 2.761 40 0 JFABRN COc1cc2cc(CN(Cc3ccco3)Cc3nnnn3C[C@@H]3CCCO3)c(=O)[nH]c2cc1OC ZINC000057640389 195354117 /nfs/dbraw/zinc/35/41/17/195354117.db2.gz BZKJZOZXLQRTRG-IBGZPJMESA-N 0 0 480.525 2.506 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000057642934 195356722 /nfs/dbraw/zinc/35/67/22/195356722.db2.gz XHTWIFZQZIWMJM-UHFFFAOYSA-N 0 0 460.538 2.897 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](c2ccc(F)cc2)N2CCC(C(N)=O)CC2)cc1 ZINC000057671796 195357454 /nfs/dbraw/zinc/35/74/54/195357454.db2.gz DFXKAIVZKVRQBW-FQEVSTJZSA-N 0 0 472.546 2.889 40 0 JFABRN CC(C)(C)NC(=O)[C@H]1CN(Cc2cnc(N3CCCCC3)nc2)C[C@@]12Cc1ccccc1C(=O)N2 ZINC000057774247 195359853 /nfs/dbraw/zinc/35/98/53/195359853.db2.gz OOVDLEHPJLUAJN-AMGIVPHBSA-N 0 0 476.625 2.538 40 0 JFABRN CCC(=O)NC(=S)Nc1cc(C(=O)OC)ccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000021577369 195315692 /nfs/dbraw/zinc/31/56/92/195315692.db2.gz ZAPCNGDRSQSHPK-UHFFFAOYSA-N 0 0 454.552 2.659 40 0 JFABRN CCN(CC)[C@@H]1N(C(=O)c2ccccc2Br)N=C2c3ccccc3S(=O)(=O)N21 ZINC000059417249 195399793 /nfs/dbraw/zinc/39/97/93/195399793.db2.gz VZLVZYZXZOPVRZ-LJQANCHMSA-N 0 0 463.357 2.896 40 0 JFABRN CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC)C2=O)cc1OCC ZINC000409231279 195506714 /nfs/dbraw/zinc/50/67/14/195506714.db2.gz JNRBKLREPFJUSP-MDWZMJQESA-N 0 0 488.278 2.544 40 0 JFABRN CCOC(=O)CCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2cccc(OC)c2)n(C)c1=O ZINC000096306410 130056597 /nfs/dbraw/zinc/05/65/97/130056597.db2.gz FNIGZYNQAHOCCX-UHFFFAOYSA-N 0 0 487.516 2.767 40 0 JFABRN COCCN1C(=O)[C@@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]2C1=O ZINC000103458779 130636157 /nfs/dbraw/zinc/63/61/57/130636157.db2.gz KGIUARDSEPWGMX-MXEMCNAFSA-N 0 0 451.910 2.810 40 0 JFABRN CC(C)(C)OC(=O)[C@H](CC(=O)N1CC[C@H]1C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1 ZINC000044699219 518854153 /nfs/dbraw/zinc/85/41/53/518854153.db2.gz XXDZPOFHAISDCM-ROUUACIJSA-N 0 0 462.543 2.956 40 0 in-vitro JFABRN CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013565711 519687865 /nfs/dbraw/zinc/68/78/65/519687865.db2.gz DEDLXTIDNDLOQJ-VWLOTQADSA-N 0 0 497.592 2.996 40 0 JFABRN CC(C)NC(=O)CCn1c2nn(Cc3c(F)cccc3Cl)c(=O)n2c2ccccc2c1=O ZINC000033291889 519704460 /nfs/dbraw/zinc/70/44/60/519704460.db2.gz KPXVBMSQXVCTTN-UHFFFAOYSA-N 0 0 457.893 2.566 40 0 JFABRN CC(C)NC(=O)CCn1c2nnc(SCC(=O)NC3CCCC3)n2c2ccc(Cl)cc2c1=O ZINC000033292138 519704473 /nfs/dbraw/zinc/70/44/73/519704473.db2.gz BFMBODWYUURMKV-UHFFFAOYSA-N 0 0 491.017 2.763 40 0 JFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncoc3-c3cccc(F)c3)CC2)cc1 ZINC000013565424 519730459 /nfs/dbraw/zinc/73/04/59/519730459.db2.gz PDRBTZXZZIHQPG-UHFFFAOYSA-N 0 0 472.498 2.586 40 0 JFABRN CC(C)CNC(=O)CCn1c2nn(Cc3cccc(Cl)c3)c(=O)n2c2ccccc2c1=O ZINC000033291940 519733699 /nfs/dbraw/zinc/73/36/99/519733699.db2.gz WXXYEZCWJSWHAC-UHFFFAOYSA-N 0 0 453.930 2.675 40 0 JFABRN CC(C)[C@H](C(=O)NC(C)(C)C)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503186 519809483 /nfs/dbraw/zinc/80/94/83/519809483.db2.gz RFWUPMPINOMTED-FXAWDEMLSA-N 0 0 488.050 2.565 40 0 JFABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000036339207 519826085 /nfs/dbraw/zinc/82/60/85/519826085.db2.gz NYXUXNSFFGVNMQ-IOMROCGXSA-N 0 0 467.584 2.868 40 0 JFABRN CCOCCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000006195298 519896312 /nfs/dbraw/zinc/89/63/12/519896312.db2.gz ORZIUONTVMBKCB-SFHVURJKSA-N 0 0 461.584 2.581 40 0 JFABRN CCCCCCSC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000008665869 520107703 /nfs/dbraw/zinc/10/77/03/520107703.db2.gz QWAPZLBVSLSCGX-GXRSIYKFSA-N 0 0 492.587 2.590 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000033406053 520484579 /nfs/dbraw/zinc/48/45/79/520484579.db2.gz SQCJSPIJQQSVFJ-RQLGBQGVSA-N 0 0 494.569 2.824 40 0 JFABRN CCC[C@@H](C(=O)NC[C@@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000013503133 520590027 /nfs/dbraw/zinc/59/00/27/520590027.db2.gz LLCLHKYNIXGKCJ-UNMCSNQZSA-N 0 0 491.585 2.601 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000016638984 520722946 /nfs/dbraw/zinc/72/29/46/520722946.db2.gz KLMMXZDNQGEGBK-UHFFFAOYSA-N 0 0 464.540 2.920 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000013507888 520723402 /nfs/dbraw/zinc/72/34/02/520723402.db2.gz WDXPLJAFQCPLJF-XMMPIXPASA-N 0 0 483.565 2.900 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000033146761 520802876 /nfs/dbraw/zinc/80/28/76/520802876.db2.gz AMNZQFMDPGRRAI-GOSISDBHSA-N 0 0 479.624 2.757 40 0 JFABRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(O)cc2)N[C@@]3(CCSC)C(=O)OC)cc1 ZINC000020150717 521038924 /nfs/dbraw/zinc/03/89/24/521038924.db2.gz CJNJMFNRNBHDNJ-AIFLQVKLSA-N 0 0 484.574 2.906 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000016678298 521188364 /nfs/dbraw/zinc/18/83/64/521188364.db2.gz IQHONJWJTIDWQR-UHFFFAOYSA-N 0 0 463.575 2.892 40 0 JFABRN CCOc1ccc([C@H](C(=O)NC(C)C)N(CCOC)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000013501402 521249793 /nfs/dbraw/zinc/24/97/93/521249793.db2.gz ZTJNHHDIYVHJQY-XMMPIXPASA-N 0 0 470.570 2.940 40 0 JFABRN CCC(C)(C)NC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1ccccn1 ZINC000004092240 521314549 /nfs/dbraw/zinc/31/45/49/521314549.db2.gz BRORYMBJVUOZAW-UHFFFAOYSA-N 0 0 454.527 2.863 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1Cl ZINC000020458802 521492293 /nfs/dbraw/zinc/49/22/93/521492293.db2.gz POFAFBCUCCOCNO-UHFFFAOYSA-N 0 0 457.911 2.907 40 0 JFABRN CCOc1ccccc1N(CC(=O)N1CCC(C(=O)OC)CC1)S(=O)(=O)c1ccccc1 ZINC000013646904 521510356 /nfs/dbraw/zinc/51/03/56/521510356.db2.gz VRPZVRIFLMKXKX-UHFFFAOYSA-N 0 0 460.552 2.692 40 0 JFABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1Cl ZINC000022521851 521521769 /nfs/dbraw/zinc/52/17/69/521521769.db2.gz TVTMLIWNNBWKLU-UHFFFAOYSA-N 0 0 482.942 2.799 40 0 JFABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 ZINC000020453965 521659037 /nfs/dbraw/zinc/65/90/37/521659037.db2.gz LTBICQFKSNGCPY-UHFFFAOYSA-N 0 0 481.596 2.518 40 0 JFABRN CCS(=O)(=O)N1CCC(c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[nH]2)CC1 ZINC000006161820 521662699 /nfs/dbraw/zinc/66/26/99/521662699.db2.gz NWJWCOJRJKGJHN-UHFFFAOYSA-N 0 0 471.370 2.811 40 0 JFABRN COC(=O)c1c2c(sc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c3ccccc3O1)CCCC2 ZINC000022518687 521785760 /nfs/dbraw/zinc/78/57/60/521785760.db2.gz QBSFWHPBXJIQTG-HNNXBMFYSA-N 0 0 450.538 2.579 40 0 JFABRN CC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000020490736 521865663 /nfs/dbraw/zinc/86/56/63/521865663.db2.gz JGXMNCFTZWYUKT-FQEVSTJZSA-N 0 0 497.639 2.874 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000020245265 521959353 /nfs/dbraw/zinc/95/93/53/521959353.db2.gz MHYIETKHJOIKLK-UHFFFAOYSA-N 0 0 474.514 2.600 40 0 JFABRN CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)C3CCCCC3)n2)cc1 ZINC000006131058 522124276 /nfs/dbraw/zinc/12/42/76/522124276.db2.gz XFGHVJZWAZZODE-MYDTUXCISA-N 0 0 451.571 2.853 40 0 biogenic,in-vitro JFABRN CN(C)c1ccc(C(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CC[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000020463409 522143715 /nfs/dbraw/zinc/14/37/15/522143715.db2.gz BQGZKGQFCQGFEM-GOTSBHOMSA-N 0 0 479.625 2.913 40 0 biogenic,in-vitro JFABRN COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000020083340 522155400 /nfs/dbraw/zinc/15/54/00/522155400.db2.gz AAMBKFHMLMUPAK-DEOSSOPVSA-N 0 0 491.571 2.829 40 0 JFABRN COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(C)=O)c4)CO[C@H]23)c1 ZINC000004147349 522240350 /nfs/dbraw/zinc/24/03/50/522240350.db2.gz BONJXNRPIWEFRO-DOIPELPJSA-N 0 0 499.545 2.746 40 0 biogenic,in-vitro JFABRN CN(CC(=O)NCc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028218465 522491746 /nfs/dbraw/zinc/49/17/46/522491746.db2.gz QOGXCADCXQUADM-UHFFFAOYSA-N 0 0 455.323 2.980 40 0 JFABRN COc1cc(NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccco3)n2)cc(OC)c1 ZINC000008297296 522700558 /nfs/dbraw/zinc/70/05/58/522700558.db2.gz RDORFJMVMVSIQD-FMWKFLBASA-N 0 0 467.482 2.522 40 0 biogenic,in-vitro JFABRN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)ccc1OCC(=O)OC(C)C ZINC000036612706 522928047 /nfs/dbraw/zinc/92/80/47/522928047.db2.gz ZULKUIQCXBREST-QHCPKHFHSA-N 0 0 467.522 2.970 40 0 JFABRN CN(Cc1ccc(/C=C/C(=O)Nc2ccc(I)cc2)o1)S(C)(=O)=O ZINC000020449911 523196603 /nfs/dbraw/zinc/19/66/03/523196603.db2.gz OJGFBTCGFSYFQJ-MDZDMXLPSA-N 0 0 460.293 2.928 40 0 JFABRN CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@H](CO)NC(=O)c1cccc(Cl)c1 ZINC000038536828 523221711 /nfs/dbraw/zinc/22/17/11/523221711.db2.gz XVBDQKSFQLYBJV-KRWDZBQOSA-N 0 0 466.007 2.956 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)o2)cc1 ZINC000008884840 523254948 /nfs/dbraw/zinc/25/49/48/523254948.db2.gz QJFSTGRYZYCVLZ-HUUCEWRRSA-N 0 0 472.523 2.795 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)[C@H](C)C(=O)NC(C)(C)C)n2)cc1OC ZINC000012476514 523269811 /nfs/dbraw/zinc/26/98/11/523269811.db2.gz AKTSLVWIIRBVSS-OAHLLOKOSA-N 0 0 484.532 2.833 40 0 JFABRN CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(-n4cccn4)cc3)S[C@@H]21 ZINC000008636300 523337436 /nfs/dbraw/zinc/33/74/36/523337436.db2.gz RZQOTBSRYKSYCM-MFKCLSPESA-N 0 0 477.590 2.525 40 0 biogenic,in-vitro JFABRN COC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(N(C)C=O)cc1 ZINC000005048001 523572983 /nfs/dbraw/zinc/57/29/83/523572983.db2.gz XMVGOROXGZNDRK-OAQYLSRUSA-N 0 0 455.511 2.647 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(-c2ccc(C)o2)n1 ZINC000012480791 523816842 /nfs/dbraw/zinc/81/68/42/523816842.db2.gz XLRJJIPWXNJFNW-UHFFFAOYSA-N 0 0 452.515 2.651 40 0 JFABRN CO[C@@]12C[C@@H]3[C@@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@@]31C ZINC000035465157 523818488 /nfs/dbraw/zinc/81/84/88/523818488.db2.gz MIFAMIONJNEQDA-JPXAWYCMSA-N 0 0 464.555 2.765 40 0 biogenic,in-vitro JFABRN CO[C@@]12C[C@@H]3[C@H]([C@@H](O)[C@@H](OC(C)=O)[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]34C)[C@H](C)C1=CC(=O)O2 ZINC000035465160 523818838 /nfs/dbraw/zinc/81/88/38/523818838.db2.gz MIFAMIONJNEQDA-OYTKCEPISA-N 0 0 464.555 2.765 40 0 biogenic,in-vitro JFABRN COCCNC(=O)C[C@@H]1c2nc(NC(=O)c3ccco3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C ZINC000004222438 523899655 /nfs/dbraw/zinc/89/96/55/523899655.db2.gz QXECEXAFHHQEBZ-GBMMWRDOSA-N 0 0 491.610 2.557 40 0 biogenic,in-vitro JFABRN COc1ccc(CC(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccncc3)cc2)cc1 ZINC000067896780 523910592 /nfs/dbraw/zinc/91/05/92/523910592.db2.gz PTQRPHLVRFVJJS-ZEQKJWHPSA-N 0 0 461.518 2.732 40 0 biogenic,in-vitro JFABRN COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1 ZINC000012467285 523910941 /nfs/dbraw/zinc/91/09/41/523910941.db2.gz BBABXOGTTMHPNO-HXUWFJFHSA-N 0 0 499.568 2.731 40 0 JFABRN COCCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C ZINC000013509281 523919118 /nfs/dbraw/zinc/91/91/18/523919118.db2.gz BTTGBMWRWDPYKB-VWLOTQADSA-N 0 0 472.549 2.980 40 0 JFABRN COCCNC(=O)[C@H](c1cccnc1)N(Cc1ccc(C)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013150660 523919552 /nfs/dbraw/zinc/91/95/52/523919552.db2.gz IJGAFCGUHWCMBC-VWLOTQADSA-N 0 0 472.549 2.667 40 0 JFABRN CC[C@H](C)NC(=O)CCn1c2nnc(SCC(=O)NCc3cccs3)n2c2ccccc2c1=O ZINC000033169995 523971153 /nfs/dbraw/zinc/97/11/53/523971153.db2.gz YLZLFAHPXJQBMH-HNNXBMFYSA-N 0 0 498.634 2.819 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)c(OC)c2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497418 524014214 /nfs/dbraw/zinc/01/42/14/524014214.db2.gz NXIQXVHLXVZLII-UWHHFBIGSA-N 0 0 484.574 2.824 40 0 JFABRN CO[C@H]1[C@@H](CO)O[C@H](Oc2ccc(C(c3ccc(O)cc3)=C3CCCCC3)cc2)[C@H](O)[C@@H]1O ZINC000005430992 524022500 /nfs/dbraw/zinc/02/25/00/524022500.db2.gz ISZALBKYPNOAOA-PKSHOOMXSA-N 0 0 456.535 2.991 40 0 JFABRN COc1ccc(CNC(=O)[C@@H](c2ccco2)N(CCCO)C(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000012472226 524062453 /nfs/dbraw/zinc/06/24/53/524062453.db2.gz JIKOQGNHPOEKPD-BJKOFHAPSA-N 0 0 480.517 2.697 40 0 JFABRN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1OC ZINC000020016964 524062794 /nfs/dbraw/zinc/06/27/94/524062794.db2.gz DSYCVFQYEGBPDF-GOSISDBHSA-N 0 0 462.568 2.738 40 0 JFABRN COc1ccc(Cc2nn3c(nn(CC(=O)Nc4ccc(C)cc4C)c3=S)[nH]c2=O)cc1 ZINC000016778145 524165553 /nfs/dbraw/zinc/16/55/53/524165553.db2.gz QLGUKKUUGRVHLR-UHFFFAOYSA-N 0 0 450.524 2.804 40 0 JFABRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000022931204 524242980 /nfs/dbraw/zinc/24/29/80/524242980.db2.gz XDGPPXZYGBSQLB-OAQYLSRUSA-N 0 0 470.639 2.864 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000020009488 524250400 /nfs/dbraw/zinc/25/04/00/524250400.db2.gz RBRBZVSSTPAVTI-IBGZPJMESA-N 0 0 459.955 2.950 40 0 JFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](CC(C)C)C(=O)NC2CCCC2)cc1 ZINC000006135016 524338178 /nfs/dbraw/zinc/33/81/78/524338178.db2.gz VTXSRHJLRZFDNX-KRWDZBQOSA-N 0 0 473.599 2.953 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccco2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013503261 524361459 /nfs/dbraw/zinc/36/14/59/524361459.db2.gz JUSGCLJUAKHMBR-UHFFFAOYSA-N 0 0 491.953 2.570 40 0 JFABRN COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000020005630 524477152 /nfs/dbraw/zinc/47/71/52/524477152.db2.gz AAZIFDLPXHHQKZ-NRFANRHFSA-N 0 0 484.574 2.918 40 0 JFABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC(C)(C)C)c1ccc(O)cc1 ZINC000006074989 524524091 /nfs/dbraw/zinc/52/40/91/524524091.db2.gz LPPAMEDRZNTHQT-IBGZPJMESA-N 0 0 497.577 2.841 40 0 JFABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl ZINC000020023158 524775588 /nfs/dbraw/zinc/77/55/88/524775588.db2.gz NNEUEPQFHVCZLO-HNNXBMFYSA-N 0 0 468.959 2.626 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1ccc(F)cc1 ZINC000044900804 525040554 /nfs/dbraw/zinc/04/05/54/525040554.db2.gz NDIMZGJVGYKFFQ-UHFFFAOYSA-N 0 0 454.545 2.727 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1OC ZINC000013504495 525214968 /nfs/dbraw/zinc/21/49/68/525214968.db2.gz SKCOQHMNBZVEPM-CYFREDJKSA-N 0 0 482.560 2.920 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)[C@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@]2(C)O4)no1 ZINC000033939925 525223932 /nfs/dbraw/zinc/22/39/32/525223932.db2.gz CLWRQBMHDCACBI-XOLRIQRJSA-N 0 0 482.512 2.721 40 0 JFABRN Cc1ccccc1NC(=O)CSc1nnc2n1c1ccccc1c(=O)n2CCC(=O)NC(C)C ZINC000033292016 525242755 /nfs/dbraw/zinc/24/27/55/525242755.db2.gz HBRUUXZTAKECTK-UHFFFAOYSA-N 0 0 478.578 2.998 40 0 JFABRN C[C@@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3[nH]2)C1 ZINC000033535953 525389935 /nfs/dbraw/zinc/38/99/35/525389935.db2.gz MZEMIHPLVJTRQT-OKILXGFUSA-N 0 0 453.572 2.574 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1 ZINC000013672813 525543600 /nfs/dbraw/zinc/54/36/00/525543600.db2.gz HQNBGPAJDMTIJL-UHFFFAOYSA-N 0 0 473.414 2.594 40 0 JFABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCOCC3)cc2Cl)cc1 ZINC000044847979 525597237 /nfs/dbraw/zinc/59/72/37/525597237.db2.gz RQRJBJWEYRLGTE-UHFFFAOYSA-N 0 0 451.976 2.901 40 0 JFABRN C[C@@]1(CO)[C@H](OC(=O)NC2CCCCC2)CC[C@]2(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)N1CCC[C@H]1CO ZINC000004236609 525855738 /nfs/dbraw/zinc/85/57/38/525855738.db2.gz WVTMYNIEQIUSTQ-HGGXSKBVSA-N 0 0 494.673 2.973 40 0 biogenic,in-vitro JFABRN C[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466329 526052101 /nfs/dbraw/zinc/05/21/01/526052101.db2.gz GIOPOJVLTPLIED-MJBMUZESSA-N 0 0 479.706 2.815 40 0 biogenic,in-vitro JFABRN C[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N ZINC000012472739 526082251 /nfs/dbraw/zinc/08/22/51/526082251.db2.gz FRAMHANQOIYAPI-CYBMUJFWSA-N 0 0 471.970 2.825 40 0 JFABRN C[C@H](C(=O)NCc1ccccn1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cnccn3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466951 526088211 /nfs/dbraw/zinc/08/82/11/526088211.db2.gz AYDKLVIMJUGXBS-MTWOVEBYSA-N 0 0 465.598 2.746 40 0 biogenic,in-vitro JFABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000036757253 526600505 /nfs/dbraw/zinc/60/05/05/526600505.db2.gz AJFYMJQTGHNKAF-IEBWSBKVSA-N 0 0 489.569 2.774 40 0 JFABRN O=C(CCn1c2nn(Cc3ccccc3F)c(=O)n2c2ccccc2c1=O)NC1CCCCC1 ZINC000048988724 526669495 /nfs/dbraw/zinc/66/94/95/526669495.db2.gz BRMHUEREBXKEEF-UHFFFAOYSA-N 0 0 463.513 2.837 40 0 JFABRN O=C(CN(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1F)NCc1ccco1 ZINC000013503252 526692141 /nfs/dbraw/zinc/69/21/41/526692141.db2.gz ZKQHPPIETJKCBW-UHFFFAOYSA-N 0 0 479.917 2.700 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000016450286 526965986 /nfs/dbraw/zinc/96/59/86/526965986.db2.gz VYGIVHDXRZQVHO-UHFFFAOYSA-N 0 0 461.559 2.774 40 0 JFABRN O=C(CSc1n[nH]c(=O)n1-c1ccc2c(c1)OCCO2)Nc1ccc(Cl)nc1Cl ZINC000002243819 527049974 /nfs/dbraw/zinc/04/99/74/527049974.db2.gz NHUHHQLYEINEIT-UHFFFAOYSA-N 0 0 454.295 2.764 40 0 JFABRN O=C(CSc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)o1)NC[C@H]1CCCO1 ZINC000004400061 527076853 /nfs/dbraw/zinc/07/68/53/527076853.db2.gz SZDPTXGDDAMOOQ-QGZVFWFLSA-N 0 0 474.564 2.925 40 0 JFABRN Cn1c(SCC(=O)CC(=O)Nc2ccccc2)nnc1-c1ccc(NS(C)(=O)=O)cc1 ZINC000006088964 527081152 /nfs/dbraw/zinc/08/11/52/527081152.db2.gz BRKNXXCXGABDSA-UHFFFAOYSA-N 0 0 459.553 2.544 40 0 JFABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2c1nnn2Cc1ccccc1 ZINC000006161831 527274605 /nfs/dbraw/zinc/27/46/05/527274605.db2.gz VLHGONAOILEBOZ-UHFFFAOYSA-N 0 0 468.514 2.683 40 0 JFABRN O=C(Cc1nnc2sc(-c3cccc(CC(=O)N4CCCCC4)c3)nn12)N1CCCCC1 ZINC000041127006 527343738 /nfs/dbraw/zinc/34/37/38/527343738.db2.gz MDGLSEYADRADBR-UHFFFAOYSA-N 0 0 452.584 2.963 40 0 JFABRN O=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)Nc1ccccc1 ZINC000013565373 527610754 /nfs/dbraw/zinc/61/07/54/527610754.db2.gz HLOPXEHMLIQYJO-UHFFFAOYSA-N 0 0 458.584 2.746 40 0 JFABRN COc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000000798827 553783091 /nfs/dbraw/zinc/78/30/91/553783091.db2.gz VSFABDTVFSGOOU-UHFFFAOYSA-N 0 0 499.980 2.875 40 0 JFABRN CCN(CC)C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1CC ZINC000000879235 553815228 /nfs/dbraw/zinc/81/52/28/553815228.db2.gz JXWQRBZQAJHECX-UHFFFAOYSA-N 0 0 451.618 2.710 40 0 JFABRN CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000879238 553815260 /nfs/dbraw/zinc/81/52/60/553815260.db2.gz BOORANBLVRNFLX-UHFFFAOYSA-N 0 0 463.629 2.854 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)o1 ZINC000000886180 553824860 /nfs/dbraw/zinc/82/48/60/553824860.db2.gz HPKHKRREHBGTFO-WMZHIEFXSA-N 0 0 496.568 2.951 40 0 JFABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1 ZINC000000902721 553836143 /nfs/dbraw/zinc/83/61/43/553836143.db2.gz FUKNZZNLHLMNBQ-UHFFFAOYSA-N 0 0 474.564 2.797 40 0 JFABRN CCOC(=O)c1sc(NC(=O)Cn2c(CC(=O)N3CCCC3)nc3ccccc32)nc1C ZINC000000903374 553836433 /nfs/dbraw/zinc/83/64/33/553836433.db2.gz VVLOXQQLRHORMR-UHFFFAOYSA-N 0 0 455.540 2.782 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)Cc3ccc(F)cc3)n2)o1 ZINC000000903625 553836636 /nfs/dbraw/zinc/83/66/36/553836636.db2.gz VLKIUFUKORIIMJ-UHFFFAOYSA-N 0 0 454.506 2.858 40 0 JFABRN CS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2C2CCCCC2)cc1 ZINC000000904719 553837222 /nfs/dbraw/zinc/83/72/22/553837222.db2.gz QJCKVKVVAFSIAX-UHFFFAOYSA-N 0 0 479.628 2.773 40 0 JFABRN Cc1ccc2cc(CN(CCO)S(=O)(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1 ZINC000000913857 553842891 /nfs/dbraw/zinc/84/28/91/553842891.db2.gz LMXGVJKJISOMSG-UHFFFAOYSA-N 0 0 451.342 2.782 40 0 JFABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000000918353 553849677 /nfs/dbraw/zinc/84/96/77/553849677.db2.gz QNUNIHXZTPWLHM-LJQANCHMSA-N 0 0 486.546 2.693 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000927268 553864151 /nfs/dbraw/zinc/86/41/51/553864151.db2.gz XUGDASWMZUNBPO-UHFFFAOYSA-N 0 0 474.565 2.939 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000000928105 553865483 /nfs/dbraw/zinc/86/54/83/553865483.db2.gz YQIIOJLENRYYJE-UHFFFAOYSA-N 0 0 476.537 2.679 40 0 JFABRN COc1ccc(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1 ZINC000000930485 553868245 /nfs/dbraw/zinc/86/82/45/553868245.db2.gz PKHVREYHUQSREH-UHFFFAOYSA-N 0 0 464.547 2.774 40 0 JFABRN O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccccn2)cc1 ZINC000000933783 553872173 /nfs/dbraw/zinc/87/21/73/553872173.db2.gz AEIPFULGAXOUHS-IBGZPJMESA-N 0 0 491.591 2.523 40 0 JFABRN COc1ccc(Oc2ccc(C[C@H](NC(C)=O)C(N)=O)cc2I)cc1 ZINC000002583505 554237859 /nfs/dbraw/zinc/23/78/59/554237859.db2.gz NAZUBNZIPYRLIN-INIZCTEOSA-N 0 0 454.264 2.625 40 0 in-vitro JFABRN O=C(CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)NN1CCOCC1 ZINC000002799655 554352784 /nfs/dbraw/zinc/35/27/84/554352784.db2.gz JRAREVZOBMASPQ-UHFFFAOYSA-N 0 0 456.446 2.737 40 0 JFABRN O=C(OC[C@@H](O)[C@@H](OC(=O)c1ccccc1)[C@@H](CO)OC(=O)c1ccccc1)c1ccccc1 ZINC000005341339 554488585 /nfs/dbraw/zinc/48/85/85/554488585.db2.gz IAFOPYWMWUXJTB-DNVJHFABSA-N 0 0 464.470 2.648 40 0 JFABRN O=C(OC[C@@H](O)[C@@H]1O[C@@H](c2ccccc2)O[C@@H](COC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 ZINC000005732578 554493118 /nfs/dbraw/zinc/49/31/18/554493118.db2.gz PBDQBYAPPGCVBX-GKPVTSGTSA-N 0 0 478.497 2.905 40 0 JFABRN CC[C@H](C)[C@H](NC(=O)[C@H]1N=C(c2csc([C@H](O)Cc3ccccc3)n2)O[C@H]1C)C(=O)OC ZINC000005766237 554494170 /nfs/dbraw/zinc/49/41/70/554494170.db2.gz YHXNIADCBNGDJB-IRIMSJTPSA-N 0 0 459.568 2.657 40 0 JFABRN COC(=O)[C@@](C)(NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000006005334 554499508 /nfs/dbraw/zinc/49/95/08/554499508.db2.gz MIIRPCCNBGCALP-HJPURHCSSA-N 0 0 450.532 2.816 40 0 JFABRN CC(C)CCNC(=O)CN(Cc1ccccc1F)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006133974 554505622 /nfs/dbraw/zinc/50/56/22/554505622.db2.gz HDXILWONXDCHKT-UHFFFAOYSA-N 0 0 456.497 2.809 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@H](C)C(=O)NCCC(C)C)n2)cc1OC ZINC000006134066 554505916 /nfs/dbraw/zinc/50/59/16/554505916.db2.gz DRVNEBBPPZEJDL-GOSISDBHSA-N 0 0 480.569 2.941 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccccc3OC)n2)cc1OC ZINC000006134026 554505998 /nfs/dbraw/zinc/50/59/98/554505998.db2.gz INMKZSQAKFCKRS-UHFFFAOYSA-N 0 0 496.568 2.561 40 0 JFABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccco2)cc1 ZINC000006134582 554506178 /nfs/dbraw/zinc/50/61/78/554506178.db2.gz CKLHCENJYQSCKA-FQEVSTJZSA-N 0 0 499.593 2.972 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)N2CCCC2)cc1 ZINC000006239853 554521008 /nfs/dbraw/zinc/52/10/08/554521008.db2.gz IYRNANQNSPHEBN-QHCPKHFHSA-N 0 0 474.521 2.528 40 0 JFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc1 ZINC000006245136 554521448 /nfs/dbraw/zinc/52/14/48/554521448.db2.gz WBPDGTKUIVYAQL-HXUWFJFHSA-N 0 0 478.578 2.975 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CCCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1Cl ZINC000006407439 554533894 /nfs/dbraw/zinc/53/38/94/554533894.db2.gz FMCSTXSTLTULKS-UHFFFAOYSA-N 0 0 478.954 2.834 40 0 JFABRN CC(C)(C)NC(=O)[C@H]1N(c2cccnc2)C(=O)[C@@H]2[C@H](C(=O)Nc3ccccc3)[C@]3(C)C=C[C@@]21O3 ZINC000006545942 554549668 /nfs/dbraw/zinc/54/96/68/554549668.db2.gz CXXRAQWRKZUDLF-PRRCRQMASA-N 0 0 460.534 2.680 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N ZINC000006631643 554556780 /nfs/dbraw/zinc/55/67/80/554556780.db2.gz XRWBGGMAZFPZKY-ZDUSSCGKSA-N 0 0 451.980 2.813 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006631642 554556811 /nfs/dbraw/zinc/55/68/11/554556811.db2.gz QKVTXNCCRWDNBY-IBGZPJMESA-N 0 0 496.543 2.930 40 0 JFABRN CC[C@H](C(=O)NCc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006821224 554558298 /nfs/dbraw/zinc/55/82/98/554558298.db2.gz FKTLWBQJCCISLG-GOSISDBHSA-N 0 0 481.578 2.570 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)N2CC[C@@H](CC(=O)N3CCC(C(N)=O)CC3)[C@@H](CC)C2)c1 ZINC000008295709 554564783 /nfs/dbraw/zinc/56/47/83/554564783.db2.gz VSTXVNDRMUBUCJ-HKUYNNGSSA-N 0 0 472.586 2.857 40 0 biogenic,in-vitro JFABRN O=C1Nc2ccc(-c3ccsc3)cc2C(=O)N2CC[C@H](NS(=O)(=O)c3cccs3)[C@@H]12 ZINC000008294987 554564805 /nfs/dbraw/zinc/56/48/05/554564805.db2.gz GUPVIZQSZKVNAF-WMZOPIPTSA-N 0 0 459.574 2.990 40 0 biogenic,in-vitro JFABRN COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)NCc3ccccc3)n2)cc1 ZINC000008297309 554565066 /nfs/dbraw/zinc/56/50/66/554565066.db2.gz QIHXHWLMJHKVAF-MYDTUXCISA-N 0 0 461.522 2.598 40 0 biogenic,in-vitro JFABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000008831639 554723136 /nfs/dbraw/zinc/72/31/36/554723136.db2.gz PCPVCPBEXAIKHK-UHFFFAOYSA-N 0 0 454.552 2.643 40 0 JFABRN COc1cc([C@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OCC(C)C)ccc1O ZINC000009033352 554867586 /nfs/dbraw/zinc/86/75/86/554867586.db2.gz FJZKABHJGTZDRK-BLRYILKCSA-N 0 0 450.528 2.839 40 0 JFABRN CC(C)(C)N1C(=O)[C@@H]2[C@@H]([C@H](O)c3ccc(Cl)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000009044948 554869999 /nfs/dbraw/zinc/86/99/99/554869999.db2.gz BFNZVVRVIRCIOX-CDXSOPQDSA-N 0 0 453.926 2.593 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1)c1cccs1 ZINC000009391643 555155280 /nfs/dbraw/zinc/15/52/80/555155280.db2.gz MERGUUGJTXYXHE-JKSUJKDBSA-N 0 0 455.561 2.970 40 0 JFABRN CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000009426259 555191279 /nfs/dbraw/zinc/19/12/79/555191279.db2.gz DIPYURAAKXFSKI-NRTGNBEESA-N 0 0 473.787 2.624 40 0 JFABRN CCn1c(SCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)nnc1-c1ccncc1 ZINC000009494518 555278711 /nfs/dbraw/zinc/27/87/11/555278711.db2.gz HDADNMLABFQKQL-UHFFFAOYSA-N 0 0 455.496 2.664 40 0 JFABRN COc1ccc(N(C(=O)CNS(=O)(=O)c2ccccc2)[C@@H](C(=O)NCc2ccco2)C(C)C)cc1 ZINC000013151032 555357957 /nfs/dbraw/zinc/35/79/57/555357957.db2.gz JWXCHASRZWKRHP-XMMPIXPASA-N 0 0 499.589 2.941 40 0 JFABRN CCOc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013151091 555358218 /nfs/dbraw/zinc/35/82/18/555358218.db2.gz FHVPGBPIAMHYJB-SFHVURJKSA-N 0 0 460.556 2.589 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCCO)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013496034 555410851 /nfs/dbraw/zinc/41/08/51/555410851.db2.gz KKLIAQJLLAVPMN-JOCHJYFZSA-N 0 0 466.542 2.890 40 0 JFABRN COCCn1nnnc1[C@H](c1ccc(O)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013496445 555411762 /nfs/dbraw/zinc/41/17/62/555411762.db2.gz OWYCVNPJLCNPIL-FQEVSTJZSA-N 0 0 451.556 2.546 40 0 JFABRN Cc1cc2cc(CN(CCO)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498937 555426286 /nfs/dbraw/zinc/42/62/86/555426286.db2.gz VUQFJRBEGQZEJL-UNMCSNQZSA-N 0 0 454.575 2.502 40 0 JFABRN Cc1ccc2[nH]c(=O)c(CN(CCCO)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)cc2c1 ZINC000013500554 555441405 /nfs/dbraw/zinc/44/14/05/555441405.db2.gz KJZBLCAHNHMBSH-RBBKRZOGSA-N 0 0 454.575 2.584 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013501205 555448233 /nfs/dbraw/zinc/44/82/33/555448233.db2.gz OIVPSJZETCTDFF-IBGZPJMESA-N 0 0 482.541 2.702 40 0 JFABRN CC(C)[C@@H](C(=O)NCc1ccco1)N(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502785 555457232 /nfs/dbraw/zinc/45/72/32/555457232.db2.gz AQLCMEPAWWXQNX-VWLOTQADSA-N 0 0 497.617 2.970 40 0 JFABRN CC[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1cccc(F)c1 ZINC000013502835 555457534 /nfs/dbraw/zinc/45/75/34/555457534.db2.gz RXLFKOJTMLYJIE-OAQYLSRUSA-N 0 0 473.526 2.825 40 0 JFABRN CCC[C@H](C(=O)NC[C@@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1cccc(F)c1 ZINC000013502831 555457649 /nfs/dbraw/zinc/45/76/49/555457649.db2.gz SVAFHWMACRYMCS-RBBKRZOGSA-N 0 0 491.585 2.601 40 0 JFABRN COc1cccc(N(C(=O)CNS(=O)(=O)c2ccccc2)[C@@H](C(=O)NCc2ccco2)C(C)C)c1 ZINC000013502870 555457920 /nfs/dbraw/zinc/45/79/20/555457920.db2.gz PJXXKBCYNNAWJF-XMMPIXPASA-N 0 0 499.589 2.941 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H](C(C)C)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000013502898 555458189 /nfs/dbraw/zinc/45/81/89/555458189.db2.gz YZGAHIDGXFIXCC-DENIHFKCSA-N 0 0 481.659 2.610 40 0 JFABRN COc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccco2)[C@@H](C(=O)NC(C)(C)C)C(C)C)cc1 ZINC000013503024 555458813 /nfs/dbraw/zinc/45/88/13/555458813.db2.gz JQJCZCUWHPRUGP-OAQYLSRUSA-N 0 0 479.599 2.535 40 0 JFABRN CC[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccccc1F ZINC000013503150 555459635 /nfs/dbraw/zinc/45/96/35/555459635.db2.gz SCFCJTGMEXKBFG-FQEVSTJZSA-N 0 0 491.516 2.964 40 0 JFABRN CCC[C@H](C(=O)NC(C)(C)C)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503192 555459911 /nfs/dbraw/zinc/45/99/11/555459911.db2.gz UVGGJBUAGSHHLR-IEBWSBKVSA-N 0 0 488.050 2.709 40 0 JFABRN CC[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013503352 555460591 /nfs/dbraw/zinc/46/05/91/555460591.db2.gz WMYZUDBIYHBHPW-QFIPXVFZSA-N 0 0 487.553 2.821 40 0 JFABRN CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)c(OC)c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000013504167 555463032 /nfs/dbraw/zinc/46/30/32/555463032.db2.gz IFWWXCUOEFMKHI-NRFANRHFSA-N 0 0 468.558 2.976 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1 ZINC000013504477 555463941 /nfs/dbraw/zinc/46/39/41/555463941.db2.gz WEWILQSQNHJVCR-QPPBQGQZSA-N 0 0 482.560 2.920 40 0 JFABRN COc1cccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3F)CC2)c1OC ZINC000013504546 555464068 /nfs/dbraw/zinc/46/40/68/555464068.db2.gz WXKGIQNVMBORCM-FDDCHVKYSA-N 0 0 482.560 2.920 40 0 JFABRN COc1ccc(OC)c([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3F)CC2)c1 ZINC000013504550 555464136 /nfs/dbraw/zinc/46/41/36/555464136.db2.gz MSDWHBTYQJRGIL-YADARESESA-N 0 0 482.560 2.920 40 0 JFABRN COc1ccc(CCn2nnnc2[C@@H](C(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1OC ZINC000013505549 555466894 /nfs/dbraw/zinc/46/68/94/555466894.db2.gz YBIWTLZIAGJNEP-JOCHJYFZSA-N 0 0 468.558 2.681 40 0 JFABRN COCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013507489 555476230 /nfs/dbraw/zinc/47/62/30/555476230.db2.gz CPMZICJZJGXICC-QFIPXVFZSA-N 0 0 459.518 2.814 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013508444 555478620 /nfs/dbraw/zinc/47/86/20/555478620.db2.gz LQJXWVVGUNZQSX-XMMPIXPASA-N 0 0 491.504 2.599 40 0 JFABRN COCCNC(=O)[C@H](c1cccs1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013508643 555479104 /nfs/dbraw/zinc/47/91/04/555479104.db2.gz DALHWXBZVQXHBD-NRFANRHFSA-N 0 0 453.524 2.619 40 0 JFABRN CCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCOC)c1ccc(OC)c(OC)c1 ZINC000013509236 555480825 /nfs/dbraw/zinc/48/08/25/555480825.db2.gz QAPGPUOVBNBFMY-XMMPIXPASA-N 0 0 483.569 2.581 40 0 JFABRN COCCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1C ZINC000013509280 555481012 /nfs/dbraw/zinc/48/10/12/555481012.db2.gz MVQDSMUWWPPQLD-RUZDIDTESA-N 0 0 472.549 2.980 40 0 JFABRN COCCNC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013509317 555481015 /nfs/dbraw/zinc/48/10/15/555481015.db2.gz UOGSFRKILAJCNU-QHCPKHFHSA-N 0 0 462.485 2.503 40 0 JFABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCOC)c1ccncc1 ZINC000013509295 555481037 /nfs/dbraw/zinc/48/10/37/555481037.db2.gz LYXYTASJOAZDNP-VWLOTQADSA-N 0 0 472.549 2.926 40 0 JFABRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCOC)c2cccnc2)cc1 ZINC000013509330 555481102 /nfs/dbraw/zinc/48/11/02/555481102.db2.gz UPEHGVIWDGNZBZ-VWLOTQADSA-N 0 0 488.548 2.762 40 0 JFABRN COCCNC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013509340 555481127 /nfs/dbraw/zinc/48/11/27/555481127.db2.gz VRYQGXNGYPQRQZ-HSZRJFAPSA-N 0 0 462.485 2.503 40 0 JFABRN COc1ccc(NC(=S)N(CCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000013556753 555494099 /nfs/dbraw/zinc/49/40/99/555494099.db2.gz BVKRTTOMLDXDKQ-UHFFFAOYSA-N 0 0 496.589 2.797 40 0 JFABRN CC(C)CC(=O)Nc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000013562097 555496278 /nfs/dbraw/zinc/49/62/78/555496278.db2.gz SZYJXDKHKYUKSC-UHFFFAOYSA-N 0 0 465.533 2.813 40 0 JFABRN O=C(Cc1c[nH]c2ccccc12)NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000013565384 555501520 /nfs/dbraw/zinc/50/15/20/555501520.db2.gz OWRZWAYFAUGNFW-UHFFFAOYSA-N 0 0 496.633 2.764 40 0 JFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncoc3-c3ccc(C)cc3)CC2)cc1 ZINC000013565417 555501718 /nfs/dbraw/zinc/50/17/18/555501718.db2.gz WDWSCQSNNGWFEB-UHFFFAOYSA-N 0 0 468.535 2.755 40 0 JFABRN CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013565571 555501998 /nfs/dbraw/zinc/50/19/98/555501998.db2.gz XVEWDVMIUGLKJO-FQEVSTJZSA-N 0 0 497.539 2.722 40 0 JFABRN CCOC(=O)CC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[nH]2)CC1 ZINC000013565524 555502038 /nfs/dbraw/zinc/50/20/38/555502038.db2.gz MZMZTAMQPZPXTD-UHFFFAOYSA-N 0 0 480.569 2.520 40 0 JFABRN CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)S(C)(=O)=O)cc1 ZINC000019856730 555517229 /nfs/dbraw/zinc/51/72/29/555517229.db2.gz MFSUSKUZIAYQRE-UHFFFAOYSA-N 0 0 467.613 2.684 40 0 JFABRN COC(=O)c1cccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1C ZINC000019856872 555517987 /nfs/dbraw/zinc/51/79/87/555517987.db2.gz ZMTHGHSUBIUZTN-UHFFFAOYSA-N 0 0 455.330 2.949 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000013580812 555519194 /nfs/dbraw/zinc/51/91/94/555519194.db2.gz YCSKFVQAFHGKAY-HXUWFJFHSA-N 0 0 475.586 2.579 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 ZINC000019867785 555522001 /nfs/dbraw/zinc/52/20/01/555522001.db2.gz QAQTWYVBPGTQHT-UHFFFAOYSA-N 0 0 488.562 2.749 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)cc1I ZINC000019933686 555550916 /nfs/dbraw/zinc/55/09/16/555550916.db2.gz SHPGBLLPYKPUFU-UHFFFAOYSA-N 0 0 463.293 2.796 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000013646657 555551142 /nfs/dbraw/zinc/55/11/42/555551142.db2.gz SXBHPBYWQUFHFU-UHFFFAOYSA-N 0 0 474.579 2.919 40 0 JFABRN CCOc1ccccc1CCCNC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000013649242 555553603 /nfs/dbraw/zinc/55/36/03/555553603.db2.gz LWCLFSWYHSCSTI-UHFFFAOYSA-N 0 0 450.557 2.618 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)c(C)c1 ZINC000013667962 555556856 /nfs/dbraw/zinc/55/68/56/555556856.db2.gz SVTRBZXRNIETBR-UHFFFAOYSA-N 0 0 462.524 2.738 40 0 JFABRN O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCC1)c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000019941198 555560259 /nfs/dbraw/zinc/56/02/59/555560259.db2.gz RAPXRCLMFLVFQL-XIFFEERXSA-N 0 0 477.533 2.744 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000013670802 555561779 /nfs/dbraw/zinc/56/17/79/555561779.db2.gz OTJOKPBWLUCFON-UHFFFAOYSA-N 0 0 469.485 2.510 40 0 JFABRN NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013678507 555569684 /nfs/dbraw/zinc/56/96/84/555569684.db2.gz KVCOKBAPYOKCLD-OAQYLSRUSA-N 0 0 451.504 2.522 40 0 JFABRN CCOc1ccc(NC(SCC(=O)N2CCCCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973738 555574917 /nfs/dbraw/zinc/57/49/17/555574917.db2.gz XRMMXAQYMFSHED-UHFFFAOYSA-N 0 0 460.556 2.505 40 0 JFABRN COc1ccc(NC(=O)CSC(Nc2ccc(F)cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973926 555576153 /nfs/dbraw/zinc/57/61/53/555576153.db2.gz IMSLLMGCJVHBJL-UHFFFAOYSA-N 0 0 472.498 2.880 40 0 JFABRN COc1ccccc1NC(=O)CSC(Nc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000009974026 555576807 /nfs/dbraw/zinc/57/68/07/555576807.db2.gz IUPWAZOSGLBLIH-UHFFFAOYSA-N 0 0 472.498 2.880 40 0 JFABRN COc1ccc(NC(SCC(=O)NCc2ccc(C)cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974147 555577419 /nfs/dbraw/zinc/57/74/19/555577419.db2.gz LYPHFINOMANZKT-UHFFFAOYSA-N 0 0 482.562 2.727 40 0 JFABRN Cc1ccc(NC(SCC(=O)NCc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974176 555577569 /nfs/dbraw/zinc/57/75/69/555577569.db2.gz PETKBPMOKZKWIG-UHFFFAOYSA-N 0 0 452.536 2.719 40 0 JFABRN COc1ccc(NC(=O)CSC(Nc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974336 555578634 /nfs/dbraw/zinc/57/86/34/555578634.db2.gz GLKPBBZQGZLCJY-UHFFFAOYSA-N 0 0 454.508 2.741 40 0 JFABRN COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000020005174 555579174 /nfs/dbraw/zinc/57/91/74/555579174.db2.gz APOGLGLHWVJXKU-QFIPXVFZSA-N 0 0 484.574 2.918 40 0 JFABRN COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000020005171 555579290 /nfs/dbraw/zinc/57/92/90/555579290.db2.gz APOGLGLHWVJXKU-JOCHJYFZSA-N 0 0 484.574 2.918 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000009974499 555579360 /nfs/dbraw/zinc/57/93/60/555579360.db2.gz JIENBUDIPUNPKG-GOSISDBHSA-N 0 0 461.559 2.584 40 0 JFABRN Cn1c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2n(C)c1=O ZINC000013688547 555581920 /nfs/dbraw/zinc/58/19/20/555581920.db2.gz QZRGQXGKHGLBRA-UHFFFAOYSA-N 0 0 462.959 2.570 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000013688651 555582008 /nfs/dbraw/zinc/58/20/08/555582008.db2.gz XTRWXXFSEAPNRT-UHFFFAOYSA-N 0 0 479.624 2.819 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000020009498 555584796 /nfs/dbraw/zinc/58/47/96/555584796.db2.gz HALTYMVAZWGPRH-LJQANCHMSA-N 0 0 459.955 2.950 40 0 JFABRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711607 555589235 /nfs/dbraw/zinc/58/92/35/555589235.db2.gz UBQWFDGKHYUOPG-FQEVSTJZSA-N 0 0 467.613 2.900 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1Cl ZINC000020013950 555590345 /nfs/dbraw/zinc/59/03/45/555590345.db2.gz OSJJZJZZZRERMX-ZDUSSCGKSA-N 0 0 456.948 2.864 40 0 JFABRN COC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cc1 ZINC000010003348 555590646 /nfs/dbraw/zinc/59/06/46/555590646.db2.gz KECPMHHFOXOPCC-UHFFFAOYSA-N 0 0 454.870 2.714 40 0 JFABRN COc1ccccc1N1CCN(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000010010154 555591939 /nfs/dbraw/zinc/59/19/39/555591939.db2.gz GKJOFWLWQGMESR-UHFFFAOYSA-N 0 0 475.636 2.921 40 0 JFABRN CCN(CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(F)ccc1OC ZINC000020015996 555591999 /nfs/dbraw/zinc/59/19/99/555591999.db2.gz XNXSKDVUJNWBIO-CQSZACIVSA-N 0 0 454.520 2.740 40 0 JFABRN CC[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716470 555593854 /nfs/dbraw/zinc/59/38/54/555593854.db2.gz PMOVZZGINZWPEV-JOCHJYFZSA-N 0 0 487.622 2.921 40 0 JFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716701 555594213 /nfs/dbraw/zinc/59/42/13/555594213.db2.gz OBDDHFFRBYAEID-QFIPXVFZSA-N 0 0 473.595 2.959 40 0 JFABRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000010040801 555605434 /nfs/dbraw/zinc/60/54/34/555605434.db2.gz SVBZOEMNZRUHOI-UHFFFAOYSA-N 0 0 467.499 2.919 40 0 JFABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3ccccc3)n2C)cc1OC ZINC000010041260 555605669 /nfs/dbraw/zinc/60/56/69/555605669.db2.gz CGYQYDZBTNCOQL-ZRDIBKRKSA-N 0 0 467.551 2.893 40 0 JFABRN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NCC(=O)OCC(=O)c1ccc(F)cc1 ZINC000010041632 555606166 /nfs/dbraw/zinc/60/61/66/555606166.db2.gz YRPDFCPMTSRIOS-UHFFFAOYSA-N 0 0 462.477 2.616 40 0 JFABRN Cc1ccc(C(=O)[C@H](OC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000010041811 555606536 /nfs/dbraw/zinc/60/65/36/555606536.db2.gz DYUFRONZSBZKHE-AREMUKBSSA-N 0 0 494.569 2.865 40 0 JFABRN COc1ccccc1N(C[C@H](O)CNS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000020034528 555609259 /nfs/dbraw/zinc/60/92/59/555609259.db2.gz GCXSWXTYQJNIKC-LJQANCHMSA-N 0 0 490.603 2.538 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000020038853 555612458 /nfs/dbraw/zinc/61/24/58/555612458.db2.gz XAYHKLLDAUFJGS-UHFFFAOYSA-N 0 0 475.976 2.659 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)cc1 ZINC000010112110 555624587 /nfs/dbraw/zinc/62/45/87/555624587.db2.gz NLUWNNBEZSBHSI-UHFFFAOYSA-N 0 0 499.614 2.943 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C ZINC000010119271 555630065 /nfs/dbraw/zinc/63/00/65/555630065.db2.gz ZKHQRQKXGFYAGO-INIZCTEOSA-N 0 0 450.582 2.928 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000010119281 555630078 /nfs/dbraw/zinc/63/00/78/555630078.db2.gz CEPCZEYJSUBXKP-UHFFFAOYSA-N 0 0 450.582 2.930 40 0 JFABRN CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2)s1 ZINC000020098273 555632924 /nfs/dbraw/zinc/63/29/24/555632924.db2.gz COSBMASZTZGDNP-UHFFFAOYSA-N 0 0 471.608 2.859 40 0 aggregator JFABRN COc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@@H]5C4=O)c3)CC2=O)cc1 ZINC000013856987 555635557 /nfs/dbraw/zinc/63/55/57/555635557.db2.gz JKPKOMYUURAMBY-JTBVBZOFSA-N 0 0 472.497 2.965 40 0 JFABRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000010157521 555638571 /nfs/dbraw/zinc/63/85/71/555638571.db2.gz XKNMFHHDWSQDOX-RTWAWAEBSA-N 0 0 470.957 2.877 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000020107044 555640636 /nfs/dbraw/zinc/64/06/36/555640636.db2.gz DOMDTBHKVDNODW-WMZOPIPTSA-N 0 0 462.568 2.991 40 0 JFABRN COc1ccc(NC(=O)N(CCN2CCOCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 ZINC000020109235 555645294 /nfs/dbraw/zinc/64/52/94/555645294.db2.gz JWEZTCOJQUVNLT-UHFFFAOYSA-N 0 0 496.564 2.920 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1F ZINC000020111222 555647711 /nfs/dbraw/zinc/64/77/11/555647711.db2.gz IWXMTLCDCGHIBU-UHFFFAOYSA-N 0 0 458.533 2.818 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccccc2F)C1C(=O)c1ccc(Br)cc1 ZINC000010232002 555655793 /nfs/dbraw/zinc/65/57/93/555655793.db2.gz MOXMSQWQOAEQEW-MRXNPFEDSA-N 0 0 458.247 2.900 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)c1ccc(Br)cc1 ZINC000010231991 555655809 /nfs/dbraw/zinc/65/58/09/555655809.db2.gz PJRMFTFRYAEVQM-INIZCTEOSA-N 0 0 485.254 2.669 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2cccc(F)c2)C1C(=O)c1ccc(Br)cc1 ZINC000010231999 555655882 /nfs/dbraw/zinc/65/58/82/555655882.db2.gz OYAHKIRRENDRNR-INIZCTEOSA-N 0 0 458.247 2.900 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2cccc(Br)c2)C1C(=O)c1ccc(F)cc1 ZINC000010232087 555656114 /nfs/dbraw/zinc/65/61/14/555656114.db2.gz GZAYSIPFFMVNGD-INIZCTEOSA-N 0 0 458.247 2.900 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2cccc(Br)c2)C1C(=O)c1ccc(F)cc1 ZINC000010232088 555656216 /nfs/dbraw/zinc/65/62/16/555656216.db2.gz GZAYSIPFFMVNGD-MRXNPFEDSA-N 0 0 458.247 2.900 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000020150769 555667426 /nfs/dbraw/zinc/66/74/26/555667426.db2.gz CXLBCXITWVXHHO-KEXUJGGDSA-N 0 0 488.587 2.634 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)c(C)c1 ZINC000010364704 555697648 /nfs/dbraw/zinc/69/76/48/555697648.db2.gz IZXCBMHZWSDGCI-UHFFFAOYSA-N 0 0 494.639 2.561 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(I)cc1 ZINC000014153804 555710286 /nfs/dbraw/zinc/71/02/86/555710286.db2.gz QCWAATYZLIFZAB-UHFFFAOYSA-N 0 0 472.304 2.564 40 0 JFABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000010445870 555712985 /nfs/dbraw/zinc/71/29/85/555712985.db2.gz DPPVZECGAREQAR-OAHLLOKOSA-N 0 0 462.524 2.736 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(I)cc1 ZINC000010449245 555715071 /nfs/dbraw/zinc/71/50/71/555715071.db2.gz XMJKWZLLMRWHCL-UHFFFAOYSA-N 0 0 456.305 2.647 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000010541881 555724870 /nfs/dbraw/zinc/72/48/70/555724870.db2.gz PJGAJXHIMJPCIL-UHFFFAOYSA-N 0 0 450.944 2.947 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000010541936 555724900 /nfs/dbraw/zinc/72/49/00/555724900.db2.gz YXFASONKIMTFQI-UHFFFAOYSA-N 0 0 460.552 2.611 40 0 JFABRN COC(=O)C1CCN(C(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1 ZINC000010542217 555725374 /nfs/dbraw/zinc/72/53/74/555725374.db2.gz AVQWNDBWXWQPAL-UHFFFAOYSA-N 0 0 451.372 2.951 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000020234063 555725585 /nfs/dbraw/zinc/72/55/85/555725585.db2.gz XHUYGXGPRVSUGL-UHFFFAOYSA-N 0 0 469.519 2.637 40 0 JFABRN COc1ccc(S(=O)(=O)NCCCc2ccccc2Cl)cc1C(=O)N1CCOCC1 ZINC000010543231 555725795 /nfs/dbraw/zinc/72/57/95/555725795.db2.gz ZGOLQARBRDGPJI-UHFFFAOYSA-N 0 0 452.960 2.732 40 0 JFABRN Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(=O)(=O)N(C)C)c1 ZINC000020244793 555740673 /nfs/dbraw/zinc/74/06/73/555740673.db2.gz HQLBNIWOUSTSIS-UHFFFAOYSA-N 0 0 458.584 2.791 40 0 JFABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 ZINC000020244883 555740927 /nfs/dbraw/zinc/74/09/27/555740927.db2.gz VLGRMDPBFCQYPP-UHFFFAOYSA-N 0 0 453.948 2.995 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000014257306 555756754 /nfs/dbraw/zinc/75/67/54/555756754.db2.gz RTPADNMPRJMLIW-UBXANZILSA-N 0 0 450.516 2.513 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCSc1ccc(C)cc1)c1ccc2c(c1)OCCO2 ZINC000014397332 555803308 /nfs/dbraw/zinc/80/33/08/555803308.db2.gz RAXKQRSCLBBHOC-UHFFFAOYSA-N 0 0 450.582 2.831 40 0 JFABRN COC(=O)c1c(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)sc2c1CCCC2 ZINC000014400004 555805637 /nfs/dbraw/zinc/80/56/37/555805637.db2.gz JGPJTQUFUXLZCI-UHFFFAOYSA-N 0 0 466.581 2.822 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000014400458 555805963 /nfs/dbraw/zinc/80/59/63/555805963.db2.gz ZJSJRRUHZHROBX-IBGZPJMESA-N 0 0 477.558 2.919 40 0 JFABRN Cc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000020567892 555821402 /nfs/dbraw/zinc/82/14/02/555821402.db2.gz QLAQXPOSKUOZOE-UHFFFAOYSA-N 0 0 480.030 2.991 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2O1 ZINC000014571412 555835104 /nfs/dbraw/zinc/83/51/04/555835104.db2.gz YRHPCUIBKLYGFB-HXUWFJFHSA-N 0 0 478.954 2.708 40 0 JFABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cc(Br)c(OCC(N)=O)c(OC)c1 ZINC000022110903 555878317 /nfs/dbraw/zinc/87/83/17/555878317.db2.gz SPUNTMUUEIISMB-UHFFFAOYSA-N 0 0 494.371 2.995 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3CN3CCOCC3)CC2)cc1 ZINC000015135271 555879810 /nfs/dbraw/zinc/87/98/10/555879810.db2.gz HFLIHOBCMBJYET-UHFFFAOYSA-N 0 0 471.623 2.544 40 0 JFABRN CC(C)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000022227756 555886454 /nfs/dbraw/zinc/88/64/54/555886454.db2.gz JBKGWHGORMZXQN-UHFFFAOYSA-N 0 0 461.403 2.657 40 0 JFABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1cccc(Br)c1 ZINC000022228905 555887556 /nfs/dbraw/zinc/88/75/56/555887556.db2.gz BCUODHLYVAFNLO-UHFFFAOYSA-N 0 0 480.384 2.531 40 0 JFABRN COc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000022229248 555888079 /nfs/dbraw/zinc/88/80/79/555888079.db2.gz JYGTYJLDMCCLSS-UHFFFAOYSA-N 0 0 479.986 2.821 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C ZINC000022230251 555889232 /nfs/dbraw/zinc/88/92/32/555889232.db2.gz XFKMTXKWFZTJNX-GOSISDBHSA-N 0 0 492.550 2.599 40 0 JFABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1 ZINC000022232372 555891645 /nfs/dbraw/zinc/89/16/45/555891645.db2.gz PASJHOHMBUHFRH-UHFFFAOYSA-N 0 0 496.029 2.524 40 0 JFABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 ZINC000022233006 555892741 /nfs/dbraw/zinc/89/27/41/555892741.db2.gz NZDUPFMLFOFPGU-LJQANCHMSA-N 0 0 452.960 2.980 40 0 JFABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCn2ccnc2)c(C)c1 ZINC000022246573 555896725 /nfs/dbraw/zinc/89/67/25/555896725.db2.gz CDMNJWKXIFFYBO-QFIPXVFZSA-N 0 0 454.596 2.904 40 0 JFABRN CCNC(=O)C[C@@H]1C(=O)N(Cc2cccs2)C(=S)N1CCc1ccc(OC)c(OC)c1 ZINC000015321389 555898490 /nfs/dbraw/zinc/89/84/90/555898490.db2.gz WOVRZGFKFKBWGE-QGZVFWFLSA-N 0 0 461.609 2.832 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000022250177 555900086 /nfs/dbraw/zinc/90/00/86/555900086.db2.gz ZFBVJVLSGGWMOJ-UHFFFAOYSA-N 0 0 482.942 2.555 40 0 JFABRN CCOCCCNC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O ZINC000022253664 555902097 /nfs/dbraw/zinc/90/20/97/555902097.db2.gz XHECQJNROTUQGT-UHFFFAOYSA-N 0 0 450.557 2.826 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015588573 555917187 /nfs/dbraw/zinc/91/71/87/555917187.db2.gz LBUBNNRTZGHRLH-CQSZACIVSA-N 0 0 480.514 2.669 40 0 JFABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000015638790 555921396 /nfs/dbraw/zinc/92/13/96/555921396.db2.gz WTMHZALERNDVJB-IBGZPJMESA-N 0 0 489.569 2.774 40 0 JFABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1Cl ZINC000022337855 555922928 /nfs/dbraw/zinc/92/29/28/555922928.db2.gz XENZIWGXRUGRJP-CQSZACIVSA-N 0 0 458.989 2.695 40 0 JFABRN C[C@@H](NC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022340339 555923245 /nfs/dbraw/zinc/92/32/45/555923245.db2.gz RIPPPBQPKRWAPY-MRXNPFEDSA-N 0 0 460.577 2.887 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000022395507 555928939 /nfs/dbraw/zinc/92/89/39/555928939.db2.gz DXJZALGFQSKTSX-UHFFFAOYSA-N 0 0 475.592 2.658 40 0 JFABRN CCCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000022427746 555930575 /nfs/dbraw/zinc/93/05/75/555930575.db2.gz UTXFAFJGMZNTFJ-MRXNPFEDSA-N 0 0 468.597 2.522 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000022929013 555980801 /nfs/dbraw/zinc/98/08/01/555980801.db2.gz UPWVBJVIWAGEMO-DHLKQENFSA-N 0 0 478.597 2.777 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000022929009 555980828 /nfs/dbraw/zinc/98/08/28/555980828.db2.gz UPWVBJVIWAGEMO-WIOPSUGQSA-N 0 0 478.597 2.777 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000022929019 555980947 /nfs/dbraw/zinc/98/09/47/555980947.db2.gz UPWVBJVIWAGEMO-RDGATRHJSA-N 0 0 478.597 2.777 40 0 JFABRN CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000022931210 555984227 /nfs/dbraw/zinc/98/42/27/555984227.db2.gz OIUMYOYFRQBKOU-UHFFFAOYSA-N 0 0 470.639 2.864 40 0 JFABRN C[NH+]1CCN(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000022934878 555987484 /nfs/dbraw/zinc/98/74/84/555987484.db2.gz XANJFTUAWCVMFR-UHFFFAOYSA-N 0 0 450.992 2.508 40 0 JFABRN Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(S(=O)(=O)c4ccc(F)cc4)C2)[nH]c3=O)cc1 ZINC000015907281 556064348 /nfs/dbraw/zinc/06/43/48/556064348.db2.gz FFFHDMNFWLPUOI-KRWDZBQOSA-N 0 0 482.541 2.579 40 0 JFABRN COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)CN2C(=O)COc3ccccc32)cc1 ZINC000015935884 556073537 /nfs/dbraw/zinc/07/35/37/556073537.db2.gz TVYIIJZHNXTZPE-UHFFFAOYSA-N 0 0 451.523 2.508 40 0 JFABRN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Br)cc1 ZINC000023742911 556087179 /nfs/dbraw/zinc/08/71/79/556087179.db2.gz NPOIKBPRYFZHQQ-UHFFFAOYSA-N 0 0 455.330 2.870 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@H]2C(=O)N2[C@H]4[C@@H](C)C(=O)C[C@H]2c2ccco2)c1 ZINC000012897436 556125534 /nfs/dbraw/zinc/12/55/34/556125534.db2.gz NSUJNRIEBKWESB-QYPBKZNRSA-N 0 0 490.512 2.896 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 ZINC000024490678 556132510 /nfs/dbraw/zinc/13/25/10/556132510.db2.gz FLRPYQUWTMPDHF-OAHLLOKOSA-N 0 0 480.384 2.516 40 0 JFABRN CCN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1cc(F)ccc1OC ZINC000016678321 556150616 /nfs/dbraw/zinc/15/06/16/556150616.db2.gz TWBHJNYWBRBJHL-UHFFFAOYSA-N 0 0 469.966 2.847 40 0 JFABRN CCN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000016678327 556150656 /nfs/dbraw/zinc/15/06/56/556150656.db2.gz PIHKDLBIDYHLBH-UHFFFAOYSA-N 0 0 451.976 2.708 40 0 JFABRN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCN1C(=O)S/C(=C\c3ccc(OC(F)F)cc3)C1=O)CS2 ZINC000012948589 556158964 /nfs/dbraw/zinc/15/89/64/556158964.db2.gz OYMSCMUUMQSSLT-GEPPIVICSA-N 0 0 497.545 2.895 40 0 JFABRN CCOC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000016916615 556180101 /nfs/dbraw/zinc/18/01/01/556180101.db2.gz MGRHEKDUNLVFFO-HSZRJFAPSA-N 0 0 473.529 2.959 40 0 JFABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013024559 556214525 /nfs/dbraw/zinc/21/45/25/556214525.db2.gz UKPSSLYKDBXDFT-QHCPKHFHSA-N 0 0 467.570 2.961 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccccc1)c1cccc(OC)c1 ZINC000013028434 556222210 /nfs/dbraw/zinc/22/22/10/556222210.db2.gz VADJBUSQJIILIV-AREMUKBSSA-N 0 0 487.560 2.973 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(CC)CC2)Cc2ccccc2)cc1C ZINC000025767258 556233223 /nfs/dbraw/zinc/23/32/23/556233223.db2.gz PJBXOTIPXFNHMH-UHFFFAOYSA-N 0 0 459.612 2.749 40 0 JFABRN CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000026109147 556241838 /nfs/dbraw/zinc/24/18/38/556241838.db2.gz OENWLHGVIXGYCR-UHFFFAOYSA-N 0 0 492.425 2.836 40 0 JFABRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)Oc2ccccc21 ZINC000026112834 556244189 /nfs/dbraw/zinc/24/41/89/556244189.db2.gz DZQHZJXKTZVVJW-NRFANRHFSA-N 0 0 457.552 2.869 40 0 JFABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)Oc2ccccc21 ZINC000026112866 556244198 /nfs/dbraw/zinc/24/41/98/556244198.db2.gz MLQCLBJWYWERAO-JOCHJYFZSA-N 0 0 480.546 2.567 40 0 JFABRN COc1ccc(CN(C)S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1 ZINC000026118023 556247624 /nfs/dbraw/zinc/24/76/24/556247624.db2.gz IIWACTIQONJBCC-UHFFFAOYSA-N 0 0 450.582 2.710 40 0 JFABRN CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064938 556263319 /nfs/dbraw/zinc/26/33/19/556263319.db2.gz YTMFZPDRPPWYBJ-SIKLNZKXSA-N 0 0 454.575 2.646 40 0 JFABRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000026936661 556266218 /nfs/dbraw/zinc/26/62/18/556266218.db2.gz NJHVWJOQDWLSKD-AWEZNQCLSA-N 0 0 470.364 2.604 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000027457436 556278659 /nfs/dbraw/zinc/27/86/59/556278659.db2.gz ZNZBLRDLPKHSIU-MRXNPFEDSA-N 0 0 479.986 2.756 40 0 JFABRN COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)[C@@]1(C)CC(=O)N=C2C=CC(C)=CN21 ZINC000013083004 556278813 /nfs/dbraw/zinc/27/88/13/556278813.db2.gz ROYFQFWLSKPUGJ-RUZDIDTESA-N 0 0 450.539 2.950 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@@H](Cc3ccccc3OC)NC(C)=O)CC2)c1 ZINC000013085272 556283479 /nfs/dbraw/zinc/28/34/79/556283479.db2.gz XOVLZCMGOVFHGI-JOCHJYFZSA-N 0 0 468.554 2.564 40 0 JFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000013085240 556283512 /nfs/dbraw/zinc/28/35/12/556283512.db2.gz YMZUXWYTUVYTOR-NRFANRHFSA-N 0 0 457.958 2.817 40 0 JFABRN CCOc1ccc(NC(=O)N2CCC(NC(=O)[C@H](Cc3ccccc3OC)NC(C)=O)CC2)cc1 ZINC000013085283 556283553 /nfs/dbraw/zinc/28/35/53/556283553.db2.gz ZEJGDPQMQMTJDS-QHCPKHFHSA-N 0 0 482.581 2.954 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1OC ZINC000013085440 556283996 /nfs/dbraw/zinc/28/39/96/556283996.db2.gz RYLASQXIZPOYKG-NRFANRHFSA-N 0 0 486.544 2.703 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)cc1OC ZINC000013085426 556284022 /nfs/dbraw/zinc/28/40/22/556284022.db2.gz MMKYSSBGYLAIBH-QFIPXVFZSA-N 0 0 482.581 2.872 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1OC ZINC000013085416 556284052 /nfs/dbraw/zinc/28/40/52/556284052.db2.gz VVXUEVZKTATOIT-OAQYLSRUSA-N 0 0 468.554 2.564 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC ZINC000013085462 556284359 /nfs/dbraw/zinc/28/43/59/556284359.db2.gz MUKKEFDZKYHIHA-NRFANRHFSA-N 0 0 487.984 2.825 40 0 JFABRN CCc1c(C)nc2ncnn2c1N1CCC[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)C1 ZINC000013085961 556285239 /nfs/dbraw/zinc/28/52/39/556285239.db2.gz SVZWLXHYMNPOBK-GOSISDBHSA-N 0 0 452.559 2.588 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000018114904 556289564 /nfs/dbraw/zinc/28/95/64/556289564.db2.gz AKTNKXFFDGBJGX-UHFFFAOYSA-N 0 0 460.430 2.867 40 0 JFABRN CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000028197653 556317319 /nfs/dbraw/zinc/31/73/19/556317319.db2.gz CSTVDIZWZSOYDX-UHFFFAOYSA-N 0 0 452.349 2.602 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000019211244 556334101 /nfs/dbraw/zinc/33/41/01/556334101.db2.gz SUIASRSLSHBOKI-UHFFFAOYSA-N 0 0 460.991 2.697 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](CC(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000019211192 556334189 /nfs/dbraw/zinc/33/41/89/556334189.db2.gz WOKHSXFBICVUEL-HXUWFJFHSA-N 0 0 486.598 2.551 40 0 JFABRN O=C(CN(Cc1ccccc1Cl)C(=O)c1ccc(CN2CCOCC2)o1)NC[C@@H]1CCCO1 ZINC000019348692 556343281 /nfs/dbraw/zinc/34/32/81/556343281.db2.gz URYXDIPIAUBIBC-IBGZPJMESA-N 0 0 475.973 2.703 40 0 JFABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21 ZINC000019499497 556348974 /nfs/dbraw/zinc/34/89/74/556348974.db2.gz HCPLMGHDMZFBQR-VWLOTQADSA-N 0 0 492.624 2.638 40 0 JFABRN COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1OC ZINC000019560062 556354176 /nfs/dbraw/zinc/35/41/76/556354176.db2.gz KSYDYKLUJCDBBH-DEOSSOPVSA-N 0 0 488.548 2.879 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000019568174 556354982 /nfs/dbraw/zinc/35/49/82/556354982.db2.gz BTFWWCSIUIRSSR-DEOSSOPVSA-N 0 0 491.571 2.829 40 0 JFABRN COc1cc([C@@H]2OC(=O)[C@H]3[C@H]2C(=O)O[C@@H]3c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000013133268 556359572 /nfs/dbraw/zinc/35/95/72/556359572.db2.gz TZUOQQNNRRRFIM-ZDNVTZCJSA-N 0 0 470.430 2.683 40 0 biogenic,in-vitro JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000030853046 556378698 /nfs/dbraw/zinc/37/86/98/556378698.db2.gz QDBKHKVXLMSYDH-QGZVFWFLSA-N 0 0 497.639 2.792 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000030859657 556381324 /nfs/dbraw/zinc/38/13/24/556381324.db2.gz OFLBKYXHHLSCBP-UHFFFAOYSA-N 0 0 459.977 2.994 40 0 JFABRN COc1ccc(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1OC ZINC000030868457 556384037 /nfs/dbraw/zinc/38/40/37/556384037.db2.gz OURZPYKVVYPJEJ-UHFFFAOYSA-N 0 0 498.557 2.987 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000019818540 556386316 /nfs/dbraw/zinc/38/63/16/556386316.db2.gz UEMKWYLOCJIRMM-NHCUHLMSSA-N 0 0 483.521 2.911 40 0 JFABRN O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 ZINC000019818981 556387016 /nfs/dbraw/zinc/38/70/16/556387016.db2.gz WJBLTQQGYKAVCP-CYBMUJFWSA-N 0 0 451.405 2.723 40 0 JFABRN CCCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000030939595 556388385 /nfs/dbraw/zinc/38/83/85/556388385.db2.gz YLGGHSGZUXKYHC-GOSISDBHSA-N 0 0 451.932 2.646 40 0 JFABRN CS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)Oc2ccccc21 ZINC000030945190 556389115 /nfs/dbraw/zinc/38/91/15/556389115.db2.gz PYVOUSRRYOFTQH-LJQANCHMSA-N 0 0 469.485 2.581 40 0 JFABRN Cc1cc2cc(CN(CCN3CCOCC3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2cc1Cl ZINC000019823352 556393329 /nfs/dbraw/zinc/39/33/29/556393329.db2.gz PPIKDWGRNRXFOW-LJQANCHMSA-N 0 0 479.046 2.678 40 0 JFABRN COCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000019823252 556393399 /nfs/dbraw/zinc/39/33/99/556393399.db2.gz MLCHDFRCIYBTQE-UHFFFAOYSA-N 0 0 460.644 2.580 40 0 JFABRN Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1C ZINC000019823531 556394053 /nfs/dbraw/zinc/39/40/53/556394053.db2.gz SDRBAMIEBBSPNC-JOCHJYFZSA-N 0 0 472.655 2.723 40 0 JFABRN CCc1ccccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(OC)ccc1OC ZINC000032640035 556460015 /nfs/dbraw/zinc/46/00/15/556460015.db2.gz RYTQSOUTYOZUCY-UYAOXDASSA-N 0 0 489.619 2.980 40 0 JFABRN CO[C@@]12C[C@@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@H]1[C@](C)(COC(C)=O)CCC[C@]31C ZINC000067912880 560049412 /nfs/dbraw/zinc/04/94/12/560049412.db2.gz HDDNZVWBRRAOGK-QZUFCGMGSA-N 0 0 464.555 2.767 40 0 biogenic,in-vitro JFABRN Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)c3nc4ccccc4s3)CN(C)C(=O)C2)no1 ZINC000096113335 560061342 /nfs/dbraw/zinc/06/13/42/560061342.db2.gz LNTSDXQPFKDBRT-HZPDHXFCSA-N 0 0 469.567 2.656 40 0 biogenic,in-vitro JFABRN CCc1ccc([C@H](C(=O)NCCOC)N(C(=O)Cn2nnc3ccccc32)c2cccnc2)cc1 ZINC000008677040 562950554 /nfs/dbraw/zinc/95/05/54/562950554.db2.gz PGOFRCCEHZECQG-RUZDIDTESA-N 0 0 472.549 2.926 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCCCCC1)OCCO3 ZINC000008677427 562950704 /nfs/dbraw/zinc/95/07/04/562950704.db2.gz XXLFWQIECRDDGJ-JTSKRJEESA-N 0 0 466.542 2.843 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cc(OC)c(OC)cc3[nH]c2=O)CC1 ZINC000053213668 563205202 /nfs/dbraw/zinc/20/52/02/563205202.db2.gz UIXJVBFZYNXVCE-NRFANRHFSA-N 0 0 498.584 2.651 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000059418519 569603378 /nfs/dbraw/zinc/60/33/78/569603378.db2.gz VRBVQPZUEYQQPS-LVSKKATPSA-N 0 0 451.573 2.915 40 0 JFABRN Cn1cnnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC[C@@H]3CCCO3)sc2c1 ZINC000059489670 569605786 /nfs/dbraw/zinc/60/57/86/569605786.db2.gz XGBPNJCBORYDGX-ZDUSSCGKSA-N 0 0 478.625 2.543 40 0 JFABRN COCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC ZINC000059490172 569606015 /nfs/dbraw/zinc/60/60/15/569606015.db2.gz LJIONZKOZZCWKE-UHFFFAOYSA-N 0 0 471.373 2.806 40 0 JFABRN CCCCCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000059498118 569606157 /nfs/dbraw/zinc/60/61/57/569606157.db2.gz LZKDMEDTMVHUMP-UHFFFAOYSA-N 0 0 496.608 2.777 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059942110 569608095 /nfs/dbraw/zinc/60/80/95/569608095.db2.gz KNWNNOHJTHHBAT-UHFFFAOYSA-N 0 0 486.015 2.950 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059942127 569608123 /nfs/dbraw/zinc/60/81/23/569608123.db2.gz LOUHSEWEEKVPPD-UHFFFAOYSA-N 0 0 493.994 2.817 40 0 JFABRN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)c(Cl)c1)c1ccccc1 ZINC000033386127 569625476 /nfs/dbraw/zinc/62/54/76/569625476.db2.gz LOGGSZJUYIMJKZ-INIZCTEOSA-N 0 0 451.976 2.532 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000033469679 569626785 /nfs/dbraw/zinc/62/67/85/569626785.db2.gz PVLZHKVEDJHFPA-UHFFFAOYSA-N 0 0 495.966 2.806 40 0 JFABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 ZINC000033560143 569627764 /nfs/dbraw/zinc/62/77/64/569627764.db2.gz SRJOPHJPKUBNLS-LJQANCHMSA-N 0 0 469.567 2.635 40 0 JFABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 ZINC000033560142 569627804 /nfs/dbraw/zinc/62/78/04/569627804.db2.gz SRJOPHJPKUBNLS-IBGZPJMESA-N 0 0 469.567 2.635 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cn([C@@H](C)C(=O)OC)c4ccccc34)C2=O)o1 ZINC000033562098 569627920 /nfs/dbraw/zinc/62/79/20/569627920.db2.gz BNIGIQVVXDNTQG-NWRYFCBHSA-N 0 0 451.435 2.848 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccccc2)cc1Cl ZINC000033625288 569629120 /nfs/dbraw/zinc/62/91/20/569629120.db2.gz ASAWDTYLQMKMSA-QGZVFWFLSA-N 0 0 452.960 2.835 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC#N)C2=O)o1 ZINC000033655016 569629797 /nfs/dbraw/zinc/62/97/97/569629797.db2.gz OBEFKFLEPIQCRA-QPEQYQDCSA-N 0 0 460.786 2.623 40 0 JFABRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 ZINC000033821731 569635589 /nfs/dbraw/zinc/63/55/89/569635589.db2.gz UKUSYJSWBBJTPI-GFTAFNIFSA-N 0 0 479.920 2.948 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1 ZINC000033914632 569637503 /nfs/dbraw/zinc/63/75/03/569637503.db2.gz IRRDZKDSWYEIAB-UHFFFAOYSA-N 0 0 474.579 2.688 40 0 JFABRN CC(C)CCN1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000033939837 569639255 /nfs/dbraw/zinc/63/92/55/569639255.db2.gz OUEYSXIPPYPTFG-SIBACELJSA-N 0 0 459.631 2.937 40 0 JFABRN CC(=O)Cn1c(Br)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C ZINC000064870376 569640305 /nfs/dbraw/zinc/64/03/05/569640305.db2.gz BZILIMSZNYMYAI-UHFFFAOYSA-N 0 0 460.115 2.603 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OC)C2=O)o1 ZINC000034848689 569667033 /nfs/dbraw/zinc/66/70/33/569667033.db2.gz IRAOZUCUSQUTKV-SDQBBNPISA-N 0 0 480.227 2.838 40 0 JFABRN O=C(CN1C(=O)N/C(=C\c2ccccc2I)C1=O)Nc1ccccc1F ZINC000034880725 569668724 /nfs/dbraw/zinc/66/87/24/569668724.db2.gz UTLJXXCKGPNLST-DHDCSXOGSA-N 0 0 465.222 2.962 40 0 JFABRN CCOc1ccccc1NC(=O)CSc1nnc(CCNC(=O)c2ccc(OC)cc2)n1C ZINC000034889895 569669190 /nfs/dbraw/zinc/66/91/90/569669190.db2.gz ZHZPNOOWEKFWEK-UHFFFAOYSA-N 0 0 469.567 2.926 40 0 JFABRN CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000035131852 569675564 /nfs/dbraw/zinc/67/55/64/569675564.db2.gz IMQYRBBDJFKOOB-IBGZPJMESA-N 0 0 469.567 2.809 40 0 JFABRN CC(=O)[C@H]1C[C@H](CC(=O)N[C@H](O)C(Br)(Br)Br)C1(C)C ZINC000035181690 569677651 /nfs/dbraw/zinc/67/76/51/569677651.db2.gz ACVOQMCJYKGONO-NQMVMOMDSA-N 0 0 463.992 2.901 40 0 JFABRN COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)CN2C(=O)COc3ccc(C)cc32)cc1 ZINC000035312760 569680267 /nfs/dbraw/zinc/68/02/67/569680267.db2.gz LLJRSEXSTJBZBE-UHFFFAOYSA-N 0 0 465.550 2.817 40 0 JFABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@H](CO)NC(=O)OCc4ccccc4)C3)cc2n1 ZINC000072341313 569703485 /nfs/dbraw/zinc/70/34/85/569703485.db2.gz CFOJGDXWFCCMFZ-WMZOPIPTSA-N 0 0 491.470 2.660 40 0 JFABRN O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000035833315 569713227 /nfs/dbraw/zinc/71/32/27/569713227.db2.gz DFFMFVYYJCWRFH-CROMWVBPSA-N 0 0 466.335 2.876 40 0 JFABRN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000095202038 569722097 /nfs/dbraw/zinc/72/20/97/569722097.db2.gz WTMHGSFINLFDLX-OAQYLSRUSA-N 0 0 494.527 2.766 40 0 JFABRN COc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)c4cccs4)CC3)O2)c1 ZINC000096036669 569732292 /nfs/dbraw/zinc/73/22/92/569732292.db2.gz BLUSCMKTCCEVPH-LJQANCHMSA-N 0 0 466.563 2.800 40 0 JFABRN Cc1nc(CN2[C@]3(CCN(S(=O)(=O)c4ccccc4)C3)c3ccccc3S2(=O)=O)cs1 ZINC000096143204 569736462 /nfs/dbraw/zinc/73/64/62/569736462.db2.gz SBXGREDKSHGPLP-NRFANRHFSA-N 0 0 475.617 2.946 40 0 JFABRN CCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000100422570 569759929 /nfs/dbraw/zinc/75/99/29/569759929.db2.gz FRBXZKHVONDOQG-IMIIHFCZSA-N 0 0 496.516 2.595 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000100422483 569759968 /nfs/dbraw/zinc/75/99/68/569759968.db2.gz QGEGYURRMPKSKK-AIFLQVKLSA-N 0 0 482.558 2.710 40 0 JFABRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000036317538 569763400 /nfs/dbraw/zinc/76/34/00/569763400.db2.gz JHMRTGXGAYAZTL-LJQANCHMSA-N 0 0 469.673 2.889 40 0 JFABRN CC(C)OC(=O)[C@H](C)N[P@@](=O)(CO[C@@H](C)Cn1cnc2c1ncnc2N)Oc1ccccc1 ZINC000036415491 569775588 /nfs/dbraw/zinc/77/55/88/569775588.db2.gz LDEKQSIMHVQZJK-XRTHXLFNSA-N 0 0 476.474 2.973 40 0 JFABRN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101344520 569793884 /nfs/dbraw/zinc/79/38/84/569793884.db2.gz ZSSMDIFBPOICDY-VSRHEVROSA-N 0 0 479.920 2.851 40 0 JFABRN C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)NCc1cccnc1 ZINC000101475108 569798998 /nfs/dbraw/zinc/79/89/98/569798998.db2.gz LRBYWGVPXQDNPR-JENIJYKNSA-N 0 0 493.029 2.641 40 0 JFABRN CCCCNC(=O)[C@H](C)NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101487992 569799503 /nfs/dbraw/zinc/79/95/03/569799503.db2.gz LRQBIGPXHWERMD-YESZJQIVSA-N 0 0 458.024 2.846 40 0 JFABRN COc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000038187519 569800415 /nfs/dbraw/zinc/80/04/15/569800415.db2.gz PRTJEIVLDFHKHR-HNNXBMFYSA-N 0 0 461.400 2.907 40 0 JFABRN COc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000038303552 569801280 /nfs/dbraw/zinc/80/12/80/569801280.db2.gz FYUYLXHSHSDGMS-HNNXBMFYSA-N 0 0 461.400 2.907 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1Cl ZINC000038754250 569806678 /nfs/dbraw/zinc/80/66/78/569806678.db2.gz KNHARLWWSVKONZ-UHFFFAOYSA-N 0 0 470.931 2.939 40 0 JFABRN Nc1nc(Br)c([C@H]2CCNC(=O)c3[nH]c(Br)c(Br)c32)[nH]1 ZINC000039166404 569809211 /nfs/dbraw/zinc/80/92/11/569809211.db2.gz NEISLVFGGLIVRA-VKHMYHEASA-N 0 0 467.947 2.873 40 0 in-vitro JFABRN CCN(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985362 569813034 /nfs/dbraw/zinc/81/30/34/569813034.db2.gz LHLJTGOACMWYHH-UHFFFAOYSA-N 0 0 455.330 2.505 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 ZINC000039986700 569813340 /nfs/dbraw/zinc/81/33/40/569813340.db2.gz NSTJZLUDVHSHHS-UHFFFAOYSA-N 0 0 474.320 2.997 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[nH]c(=O)c32)cc1 ZINC000040390461 569824871 /nfs/dbraw/zinc/82/48/71/569824871.db2.gz VGKIJSAOHFWQPI-SJORKVTESA-N 0 0 467.526 2.780 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)cc1 ZINC000040390669 569825073 /nfs/dbraw/zinc/82/50/73/569825073.db2.gz XKODRLAZVSJOSM-IBGZPJMESA-N 0 0 487.516 2.574 40 0 JFABRN COCc1nn2c(nnc3c2ccn(NC(=O)c2ccc(OC)cc2)c3=O)c1-c1ccc(F)cc1 ZINC000040392260 569825302 /nfs/dbraw/zinc/82/53/02/569825302.db2.gz CNXHFSWXRGJMHG-UHFFFAOYSA-N 0 0 474.452 2.784 40 0 JFABRN COc1cc(C(=O)Nn2ccc3c(nnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc(OC)c1OC ZINC000040391532 569825315 /nfs/dbraw/zinc/82/53/15/569825315.db2.gz PVXLWPKIMXLBCW-UHFFFAOYSA-N 0 0 490.451 2.655 40 0 JFABRN CSCC[C@@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000102873944 569826218 /nfs/dbraw/zinc/82/62/18/569826218.db2.gz HHEBYNDLNMDKTK-UFYCRDLUSA-N 0 0 457.596 2.727 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[nH]c(=O)c32)cc1 ZINC000040400043 569827253 /nfs/dbraw/zinc/82/72/53/569827253.db2.gz ZYLKFGCUSRSASW-HNNXBMFYSA-N 0 0 477.477 2.763 40 0 JFABRN O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N=c1sccn1Cc1ccccc1Cl ZINC000103126021 569833006 /nfs/dbraw/zinc/83/30/06/569833006.db2.gz GLTOSTQYDYFLMI-NFRDLQMXSA-N 0 0 489.981 2.787 40 0 JFABRN CC(C)(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@@H]2[C@H](O)c2ccc(Cl)cc2)C(=O)Nc2ccccc21 ZINC000103517051 569835508 /nfs/dbraw/zinc/83/55/08/569835508.db2.gz BFNZVVRVIRCIOX-KJYIBTOLSA-N 0 0 453.926 2.593 40 0 JFABRN CC(C)(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@@H]2[C@H](O)c2ccc(Cl)cc2)C(=O)Nc2ccc(F)cc21 ZINC000103515142 569835602 /nfs/dbraw/zinc/83/56/02/569835602.db2.gz OHOFGOANDVJBSY-KJYIBTOLSA-N 0 0 471.916 2.732 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1 ZINC000044791329 569838783 /nfs/dbraw/zinc/83/87/83/569838783.db2.gz PKEFHGXOQIWUSI-UHFFFAOYSA-N 0 0 466.401 2.560 40 0 JFABRN COC(=O)c1c2c(sc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1C)CCCC2 ZINC000104796993 569846412 /nfs/dbraw/zinc/84/64/12/569846412.db2.gz AGLSHIBXHDJQLO-UHFFFAOYSA-N 0 0 478.592 2.995 40 0 JFABRN CC(C)CNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000105041011 569851697 /nfs/dbraw/zinc/85/16/97/569851697.db2.gz UGMHKJLYTVDKIL-UHFFFAOYSA-N 0 0 479.986 2.999 40 0 JFABRN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000105630786 569853252 /nfs/dbraw/zinc/85/32/52/569853252.db2.gz DVZCJNMVRNLKIS-UHFFFAOYSA-N 0 0 477.970 2.849 40 0 JFABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000106375816 569854161 /nfs/dbraw/zinc/85/41/61/569854161.db2.gz JZTKDRRRVXOILW-CQSZACIVSA-N 0 0 470.364 2.604 40 0 JFABRN O=C(CN1C(=O)S/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O)N1CCOCC1 ZINC000106695175 569854709 /nfs/dbraw/zinc/85/47/09/569854709.db2.gz GCZXWVOSTPMUSH-CHHVJCJISA-N 0 0 450.314 2.826 40 0 JFABRN COC(=O)CN1C(=O)S/C(=C\c2ccc(C(=O)OCC(=O)Nc3ccc(C)cc3)cc2)C1=O ZINC000106753206 569855502 /nfs/dbraw/zinc/85/55/02/569855502.db2.gz ZNXKFHBZRPXYGF-WQRHYEAKSA-N 0 0 468.487 3.000 40 0 JFABRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCC(=O)OC(C)C ZINC000107763425 569857335 /nfs/dbraw/zinc/85/73/35/569857335.db2.gz OUWNEFAQEBIKAJ-YVLHZVERSA-N 0 0 486.477 2.888 40 0 JFABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)cc1 ZINC000107882951 569857814 /nfs/dbraw/zinc/85/78/14/569857814.db2.gz VZFVWXKSARCRTR-GOSISDBHSA-N 0 0 489.985 2.980 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCO)c1cccc(C(F)(F)F)c1 ZINC000107918943 569857919 /nfs/dbraw/zinc/85/79/19/569857919.db2.gz VIZPLSWXQVQNLP-UHFFFAOYSA-N 0 0 460.474 2.716 40 0 JFABRN CCOc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1Br ZINC000108077710 569858542 /nfs/dbraw/zinc/85/85/42/569858542.db2.gz VDDLJMLAXDPKCO-IZZDOVSWSA-N 0 0 462.094 2.676 40 0 JFABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000108235417 569859248 /nfs/dbraw/zinc/85/92/48/569859248.db2.gz NJHVWJOQDWLSKD-CQSZACIVSA-N 0 0 470.364 2.604 40 0 JFABRN COc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC ZINC000113964775 569862658 /nfs/dbraw/zinc/86/26/58/569862658.db2.gz ALDMSTMYWYMUQA-UHFFFAOYSA-N 0 0 450.513 2.660 40 0 JFABRN COc1ccc(-c2ccc3c(n2)nc(N2CCOC[C@H]2C)nc3N2CCOC[C@@H]2C)cc1CO ZINC000115586131 569862753 /nfs/dbraw/zinc/86/27/53/569862753.db2.gz KVLFRAWTRWDEDF-DLBZAZTESA-N 0 0 465.554 2.643 40 0 investigational JFABRN COC(=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(O)[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000123310248 569864304 /nfs/dbraw/zinc/86/43/04/569864304.db2.gz ISPHXQUMAWDLMY-CYPNYDHTSA-N 0 0 464.555 2.586 40 0 JFABRN COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000138678860 569866220 /nfs/dbraw/zinc/86/62/20/569866220.db2.gz WDTWYFZBHANRNY-ZDUSSCGKSA-N 0 0 480.304 2.677 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000138894480 569866576 /nfs/dbraw/zinc/86/65/76/569866576.db2.gz XZCBKDLSFUTMKZ-UHFFFAOYSA-N 0 0 490.534 2.558 40 0 JFABRN CCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2nnc(C)s2)C3=O)cc1 ZINC000138990449 569866834 /nfs/dbraw/zinc/86/68/34/569866834.db2.gz AJRBZWJDINNCEV-UHFFFAOYSA-N 0 0 466.475 2.841 40 0 JFABRN C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 ZINC000139088099 569867055 /nfs/dbraw/zinc/86/70/55/569867055.db2.gz NFSBORBXHQFVKS-SMDDNHRTSA-N 0 0 460.332 2.976 40 0 JFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(OC)cc1OC)CC(=O)N2 ZINC000139120809 569867176 /nfs/dbraw/zinc/86/71/76/569867176.db2.gz KFLKWJPMQZWBQU-UKRRQHHQSA-N 0 0 455.515 2.621 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)Nc1ccccc1 ZINC000139148688 569867289 /nfs/dbraw/zinc/86/72/89/569867289.db2.gz MHHBXQGKHMYYPT-CYBMUJFWSA-N 0 0 450.278 2.669 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccc(Cl)cc2C)cc1 ZINC000145148915 569867835 /nfs/dbraw/zinc/86/78/35/569867835.db2.gz OOYIOKCBOWCGRR-UHFFFAOYSA-N 0 0 463.987 2.876 40 0 JFABRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ncccc3C)n2C)cc1 ZINC000166333874 569868080 /nfs/dbraw/zinc/86/80/80/569868080.db2.gz MCITYSVLSVMQMS-MRXNPFEDSA-N 0 0 468.583 2.895 40 0 JFABRN CCOC(=O)[C@]1(C)N[C@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169293920 569868128 /nfs/dbraw/zinc/86/81/28/569868128.db2.gz DSWHZCCDFZIMPG-PIXQIBFHSA-N 0 0 480.517 2.678 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000197481661 569873695 /nfs/dbraw/zinc/87/36/95/569873695.db2.gz DMCQDBRAVPPNGP-WLJFKGHSSA-N 0 0 482.533 2.955 40 0 JFABRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1OC ZINC000205693319 569874135 /nfs/dbraw/zinc/87/41/35/569874135.db2.gz STGKSXPLZIYTEL-RIYZIHGNSA-N 0 0 457.888 2.890 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2)cc1 ZINC000214694825 569876937 /nfs/dbraw/zinc/87/69/37/569876937.db2.gz AYEGPGKHEJDCTL-KGENOOAVSA-N 0 0 495.557 2.908 40 0 JFABRN CCOc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1OCC ZINC000216400371 569878710 /nfs/dbraw/zinc/87/87/10/569878710.db2.gz ZSVODUCPNVJZMJ-UHFFFAOYSA-N 0 0 462.568 2.576 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000216494476 569879143 /nfs/dbraw/zinc/87/91/43/569879143.db2.gz GGSRZKYFCGEIEW-UHFFFAOYSA-N 0 0 459.568 2.631 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222370259 569883954 /nfs/dbraw/zinc/88/39/54/569883954.db2.gz JLFMHKGRVOFMPO-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222391064 569884041 /nfs/dbraw/zinc/88/40/41/569884041.db2.gz PKIYTFQFIAUYCO-LJQANCHMSA-N 0 0 467.591 2.932 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000222414358 569884170 /nfs/dbraw/zinc/88/41/70/569884170.db2.gz GZMPNOHSLFCQNI-MRXNPFEDSA-N 0 0 485.528 2.943 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222415885 569884212 /nfs/dbraw/zinc/88/42/12/569884212.db2.gz UZDFBVNCGIANDB-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222437046 569884334 /nfs/dbraw/zinc/88/43/34/569884334.db2.gz CFUOBRYSUSNGNM-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222461548 569884427 /nfs/dbraw/zinc/88/44/27/569884427.db2.gz BULMJQGVFOQNLC-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222461632 569884455 /nfs/dbraw/zinc/88/44/55/569884455.db2.gz GXZPQEKANNUNKF-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222483625 569884699 /nfs/dbraw/zinc/88/46/99/569884699.db2.gz WEIOXSFUDCCQBB-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222483850 569884711 /nfs/dbraw/zinc/88/47/11/569884711.db2.gz WHUIPSBJVADNJW-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222493957 569884847 /nfs/dbraw/zinc/88/48/47/569884847.db2.gz CEMRCDHSHCWOFD-BDTNDASRSA-N 0 0 453.583 2.968 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC)S(C)(=O)=O ZINC000222505947 569884979 /nfs/dbraw/zinc/88/49/79/569884979.db2.gz DXJYFAGCWXNQQQ-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222504437 569884996 /nfs/dbraw/zinc/88/49/96/569884996.db2.gz BPKOWXNZVXROGL-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222528661 569885186 /nfs/dbraw/zinc/88/51/86/569885186.db2.gz HLOGNQGJARUUSC-AWEZNQCLSA-N 0 0 472.394 2.777 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222528589 569885209 /nfs/dbraw/zinc/88/52/09/569885209.db2.gz HLOGNQGJARUUSC-CQSZACIVSA-N 0 0 472.394 2.777 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222551743 569885642 /nfs/dbraw/zinc/88/56/42/569885642.db2.gz VTIYJSCDIQWZDH-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222551178 569885667 /nfs/dbraw/zinc/88/56/67/569885667.db2.gz XCJYAWSIBANGBZ-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222552569 569885700 /nfs/dbraw/zinc/88/57/00/569885700.db2.gz UAADQEYEMWKPJE-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c1 ZINC000222566417 569885925 /nfs/dbraw/zinc/88/59/25/569885925.db2.gz UCABEZZSCOPZNW-IBGZPJMESA-N 0 0 493.651 2.868 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222565871 569885941 /nfs/dbraw/zinc/88/59/41/569885941.db2.gz FTFZGDUHOHSWSP-CYBMUJFWSA-N 0 0 473.929 2.548 40 0 JFABRN COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 ZINC000222570567 569885998 /nfs/dbraw/zinc/88/59/98/569885998.db2.gz UEHSKRHVWYGANB-FUHWJXTLSA-N 0 0 462.568 2.991 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222577242 569886196 /nfs/dbraw/zinc/88/61/96/569886196.db2.gz LZDKCGYYERGKJV-CQSZACIVSA-N 0 0 472.394 2.777 40 0 JFABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000222583573 569886273 /nfs/dbraw/zinc/88/62/73/569886273.db2.gz YHXIKUZNOSDMBS-UHFFFAOYSA-N 0 0 479.986 2.806 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222581371 569886275 /nfs/dbraw/zinc/88/62/75/569886275.db2.gz VOFAJELSYVNGJI-IBGZPJMESA-N 0 0 491.997 2.817 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000222603369 569886804 /nfs/dbraw/zinc/88/68/04/569886804.db2.gz BUQOBLKEZJNWKZ-CQSZACIVSA-N 0 0 489.491 2.774 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222604972 569886828 /nfs/dbraw/zinc/88/68/28/569886828.db2.gz RAOFCYYQAWFZCE-HNNXBMFYSA-N 0 0 469.966 2.717 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222613810 569887002 /nfs/dbraw/zinc/88/70/02/569887002.db2.gz CQZORRUEDRDNDP-KNQAVFIVSA-N 0 0 499.633 2.986 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222623627 569887197 /nfs/dbraw/zinc/88/71/97/569887197.db2.gz RTSKOKAEZQWVJH-JOCHJYFZSA-N 0 0 493.601 2.932 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222626218 569887230 /nfs/dbraw/zinc/88/72/30/569887230.db2.gz FORKGCZTYIUNJD-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000222626080 569887246 /nfs/dbraw/zinc/88/72/46/569887246.db2.gz DKAZWHVYJHUVHZ-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222629500 569887329 /nfs/dbraw/zinc/88/73/29/569887329.db2.gz GRTCJWYDDLTJAI-OAHLLOKOSA-N 0 0 485.528 2.813 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222641811 569887602 /nfs/dbraw/zinc/88/76/02/569887602.db2.gz UZISZTHVZCEDHR-QGZVFWFLSA-N 0 0 463.575 2.924 40 0 JFABRN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(N)=O)cc2)cc1)c1ccccc1 ZINC000222645392 569887674 /nfs/dbraw/zinc/88/76/74/569887674.db2.gz UOIJZWYBOGMBFX-KRWDZBQOSA-N 0 0 467.547 2.771 40 0 JFABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000222644004 569887698 /nfs/dbraw/zinc/88/76/98/569887698.db2.gz DTSUWVGLXVLUDS-ZDUSSCGKSA-N 0 0 464.931 2.870 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000222647850 569887746 /nfs/dbraw/zinc/88/77/46/569887746.db2.gz KDZCZOTYOZCBAP-UHFFFAOYSA-N 0 0 467.547 2.884 40 0 JFABRN C[C@H](NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222669902 569888097 /nfs/dbraw/zinc/88/80/97/569888097.db2.gz KDWNHRLNRYIFNE-ZDUSSCGKSA-N 0 0 469.357 2.864 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000222682369 569888449 /nfs/dbraw/zinc/88/84/49/569888449.db2.gz FMXWETVTJDKYOJ-UHFFFAOYSA-N 0 0 460.552 2.848 40 0 JFABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(N)=O)cc2)cc1 ZINC000222684817 569888466 /nfs/dbraw/zinc/88/84/66/569888466.db2.gz UQEWSCIUWBBIED-UHFFFAOYSA-N 0 0 453.520 2.841 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C ZINC000222695949 569888819 /nfs/dbraw/zinc/88/88/19/569888819.db2.gz YPFVJOKJZUGXOH-FQEVSTJZSA-N 0 0 488.654 2.940 40 0 JFABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc[nH]n3)cc2)c1 ZINC000222694011 569888830 /nfs/dbraw/zinc/88/88/30/569888830.db2.gz SRGNIXPEYOJUNN-UHFFFAOYSA-N 0 0 461.569 2.510 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCCSc1nc[nH]n1 ZINC000222701018 569888949 /nfs/dbraw/zinc/88/89/49/569888949.db2.gz JEAMBOATFDXMNG-UHFFFAOYSA-N 0 0 467.960 2.546 40 0 JFABRN Cc1ccccc1CN(C(=O)CCN1C(=O)c2ccccc2S1(=O)=O)[C@H](C)C(=O)NC(C)(C)C ZINC000222705663 569889102 /nfs/dbraw/zinc/88/91/02/569889102.db2.gz HFFZOVPZYCUNAU-GOSISDBHSA-N 0 0 485.606 2.862 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222718891 569889454 /nfs/dbraw/zinc/88/94/54/569889454.db2.gz LWELSOSBMOORGS-IBGZPJMESA-N 0 0 457.596 2.567 40 0 JFABRN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000222723162 569889572 /nfs/dbraw/zinc/88/95/72/569889572.db2.gz FNAPCHXKEMEGQJ-OAHLLOKOSA-N 0 0 479.986 2.538 40 0 JFABRN Cc1cccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222738474 569889920 /nfs/dbraw/zinc/88/99/20/569889920.db2.gz CEMULSYTTLXJFI-SESVDKBCSA-N 0 0 453.583 2.968 40 0 JFABRN CCC(=O)Nc1nnc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000222740261 569890022 /nfs/dbraw/zinc/89/00/22/569890022.db2.gz PYIHSTYIXSAMJS-UHFFFAOYSA-N 0 0 471.608 2.983 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2ccccc2O1 ZINC000222750328 569890266 /nfs/dbraw/zinc/89/02/66/569890266.db2.gz DHIDUWIZYFOHOY-JOCHJYFZSA-N 0 0 488.562 2.597 40 0 JFABRN COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000222752140 569890289 /nfs/dbraw/zinc/89/02/89/569890289.db2.gz UGSTYOKCTHIIOD-UHFFFAOYSA-N 0 0 462.568 2.820 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222770638 569890701 /nfs/dbraw/zinc/89/07/01/569890701.db2.gz JGJBTHJFWWIIQQ-CYBMUJFWSA-N 0 0 498.388 2.691 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1 ZINC000222773734 569890721 /nfs/dbraw/zinc/89/07/21/569890721.db2.gz UPIOTQPTHGFYBP-UHFFFAOYSA-N 0 0 460.552 2.903 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222786356 569891055 /nfs/dbraw/zinc/89/10/55/569891055.db2.gz KUVBOPPGRUQSIJ-UHFFFAOYSA-N 0 0 461.584 2.946 40 0 JFABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC)cc1 ZINC000222790865 569891138 /nfs/dbraw/zinc/89/11/38/569891138.db2.gz HVNVNCFMSFAMBQ-MRXNPFEDSA-N 0 0 466.003 2.734 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222810128 569891723 /nfs/dbraw/zinc/89/17/23/569891723.db2.gz QUXQSHKDFMYKSP-INIZCTEOSA-N 0 0 478.014 2.877 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000222819945 569891966 /nfs/dbraw/zinc/89/19/66/569891966.db2.gz DWQDZJXOLRHDCB-OAQYLSRUSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222820102 569891967 /nfs/dbraw/zinc/89/19/67/569891967.db2.gz GDFBDQXQJMKEQI-JOCHJYFZSA-N 0 0 493.601 2.932 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222843155 569892496 /nfs/dbraw/zinc/89/24/96/569892496.db2.gz ZGCCCKZHAWJRQM-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222856327 569892888 /nfs/dbraw/zinc/89/28/88/569892888.db2.gz RTHJUAYFLITDJB-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222868000 569893126 /nfs/dbraw/zinc/89/31/26/569893126.db2.gz UEXKIVMWSWHNSC-INIZCTEOSA-N 0 0 497.564 2.683 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222868521 569893133 /nfs/dbraw/zinc/89/31/33/569893133.db2.gz UTPIOXBSAGNHOO-QFIPXVFZSA-N 0 0 493.601 2.932 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222873370 569893251 /nfs/dbraw/zinc/89/32/51/569893251.db2.gz LTLLNEJFOVLMQG-SFHVURJKSA-N 0 0 475.586 2.706 40 0 JFABRN C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222881933 569893488 /nfs/dbraw/zinc/89/34/88/569893488.db2.gz LMSWGSDRRNKSFV-GOSISDBHSA-N 0 0 477.964 2.724 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000222890123 569893700 /nfs/dbraw/zinc/89/37/00/569893700.db2.gz OXGLRBBIJAHYPI-MRXNPFEDSA-N 0 0 485.528 2.677 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222893546 569893765 /nfs/dbraw/zinc/89/37/65/569893765.db2.gz TYMLMVDARBDZPT-FFZOFVMBSA-N 0 0 457.546 2.799 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222893609 569893770 /nfs/dbraw/zinc/89/37/70/569893770.db2.gz TYMLMVDARBDZPT-AHRSYUTCSA-N 0 0 457.546 2.799 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222904367 569893971 /nfs/dbraw/zinc/89/39/71/569893971.db2.gz BBTDKCAJLGXSLZ-SFHVURJKSA-N 0 0 463.575 2.578 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222904204 569894007 /nfs/dbraw/zinc/89/40/07/569894007.db2.gz DHEKSJMBLZSROJ-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222912528 569894222 /nfs/dbraw/zinc/89/42/22/569894222.db2.gz IVDQOXFQYXSBGE-LJQANCHMSA-N 0 0 467.591 2.666 40 0 JFABRN COc1ccc(N(CC(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)c(OC)c1 ZINC000222914811 569894262 /nfs/dbraw/zinc/89/42/62/569894262.db2.gz GPOIISZEQGPOJL-UHFFFAOYSA-N 0 0 460.603 2.708 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222917990 569894370 /nfs/dbraw/zinc/89/43/70/569894370.db2.gz BSTSLIDAYBJDCE-JOCHJYFZSA-N 0 0 477.602 2.966 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)NCCCOC ZINC000222930801 569894739 /nfs/dbraw/zinc/89/47/39/569894739.db2.gz ZPWHFDKPRZOIPD-NRFANRHFSA-N 0 0 477.583 2.645 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222935378 569894897 /nfs/dbraw/zinc/89/48/97/569894897.db2.gz ZUOLVLUULSOMLV-GOSISDBHSA-N 0 0 451.976 2.659 40 0 JFABRN COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000222936295 569894920 /nfs/dbraw/zinc/89/49/20/569894920.db2.gz XNMUJLQRKXUINY-FQEVSTJZSA-N 0 0 489.638 2.646 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222938008 569894934 /nfs/dbraw/zinc/89/49/34/569894934.db2.gz LTNQJKIORDWWLD-IBGZPJMESA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222938285 569894956 /nfs/dbraw/zinc/89/49/56/569894956.db2.gz WQIUASBHJUTGRJ-FQEVSTJZSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000222951866 569895305 /nfs/dbraw/zinc/89/53/05/569895305.db2.gz APAQBBOBEHQWBD-SFHVURJKSA-N 0 0 463.575 2.762 40 0 JFABRN C[C@H](C(=O)NCc1ccccc1CN1CCCC1=O)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222953653 569895353 /nfs/dbraw/zinc/89/53/53/569895353.db2.gz QLEATIFVOOSBNY-OAHLLOKOSA-N 0 0 465.522 2.558 40 0 JFABRN COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000222960892 569895519 /nfs/dbraw/zinc/89/55/19/569895519.db2.gz ZYWMHDADOVCULQ-XMSQKQJNSA-N 0 0 470.566 2.967 40 0 JFABRN COc1ccc(N(CCCC(=O)N[C@@H](C)COc2ccccc2OC)S(C)(=O)=O)cc1 ZINC000222972549 569895837 /nfs/dbraw/zinc/89/58/37/569895837.db2.gz LCEWUUBJNGJYCA-KRWDZBQOSA-N 0 0 450.557 2.834 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1N1C(=O)CCC1=O ZINC000222974071 569895886 /nfs/dbraw/zinc/89/58/86/569895886.db2.gz AAEVWEZGXAXQCU-UHFFFAOYSA-N 0 0 497.495 2.878 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222979126 569895963 /nfs/dbraw/zinc/89/59/63/569895963.db2.gz OFIZGSPYUIWCQA-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222978811 569895967 /nfs/dbraw/zinc/89/59/67/569895967.db2.gz YBEKQSCBMMDDKH-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222983938 569896173 /nfs/dbraw/zinc/89/61/73/569896173.db2.gz YMEHBLDSIFBQDZ-HXUWFJFHSA-N 0 0 459.612 2.949 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222985679 569896187 /nfs/dbraw/zinc/89/61/87/569896187.db2.gz CTHJROCGZWJDRB-LJQANCHMSA-N 0 0 492.617 2.772 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223005975 569896687 /nfs/dbraw/zinc/89/66/87/569896687.db2.gz PULHIDJRVLWIPY-FQEVSTJZSA-N 0 0 466.003 2.822 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223032341 569897374 /nfs/dbraw/zinc/89/73/74/569897374.db2.gz ZNCGETJSZKQJHE-FQEVSTJZSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223039664 569897549 /nfs/dbraw/zinc/89/75/49/569897549.db2.gz BQMZYWSYVOAJCX-JOCHJYFZSA-N 0 0 473.595 2.517 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223045305 569897648 /nfs/dbraw/zinc/89/76/48/569897648.db2.gz KVGCOVRZVWIGHM-QFIPXVFZSA-N 0 0 488.654 2.778 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223074644 569898613 /nfs/dbraw/zinc/89/86/13/569898613.db2.gz VAFKKZWXZGTCLW-OAQYLSRUSA-N 0 0 488.654 2.941 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223075945 569898663 /nfs/dbraw/zinc/89/86/63/569898663.db2.gz LNBXUKCUPMKTFA-HXUWFJFHSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223103958 569899521 /nfs/dbraw/zinc/89/95/21/569899521.db2.gz VRKXLLFEMVLFBO-ZWKOTPCHSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223103901 569899529 /nfs/dbraw/zinc/89/95/29/569899529.db2.gz VRKXLLFEMVLFBO-QZTJIDSGSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223110872 569899719 /nfs/dbraw/zinc/89/97/19/569899719.db2.gz ZOAOBMPJYFIUHK-ZWKOTPCHSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223122377 569900109 /nfs/dbraw/zinc/90/01/09/569900109.db2.gz GWPNLNPGKITDMS-FQEVSTJZSA-N 0 0 482.002 2.668 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223122902 569900192 /nfs/dbraw/zinc/90/01/92/569900192.db2.gz XZPCHGLCNIYCFS-FQEVSTJZSA-N 0 0 473.639 2.990 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223125359 569900276 /nfs/dbraw/zinc/90/02/76/569900276.db2.gz OFXQSGONPOBYDQ-LJQANCHMSA-N 0 0 499.633 2.986 40 0 JFABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000223140230 569900867 /nfs/dbraw/zinc/90/08/67/569900867.db2.gz DDMJOSRKMOKWNB-CYBMUJFWSA-N 0 0 464.931 2.870 40 0 JFABRN COC(=O)c1ccc(OC)c(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)c1 ZINC000223142108 569900870 /nfs/dbraw/zinc/90/08/70/569900870.db2.gz DYHPUXQFUQXTMB-UHFFFAOYSA-N 0 0 450.513 2.675 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223164882 569901659 /nfs/dbraw/zinc/90/16/59/569901659.db2.gz RKSORQOZFKZNHN-IBGZPJMESA-N 0 0 451.976 2.659 40 0 JFABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 ZINC000223165780 569901687 /nfs/dbraw/zinc/90/16/87/569901687.db2.gz UYIBWZMJSBJVQO-RPWUZVMVSA-N 0 0 491.617 2.964 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223165294 569901715 /nfs/dbraw/zinc/90/17/15/569901715.db2.gz SGQLWEKFSNJGNX-FQEVSTJZSA-N 0 0 466.003 2.968 40 0 JFABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 ZINC000223165461 569901732 /nfs/dbraw/zinc/90/17/32/569901732.db2.gz ZEQGMZGIZUREMG-DNQXCXABSA-N 0 0 491.617 2.964 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 ZINC000223172103 569901926 /nfs/dbraw/zinc/90/19/26/569901926.db2.gz QLWYZOUEENAEFT-KKSFZXQISA-N 0 0 450.557 2.832 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 ZINC000223172050 569901956 /nfs/dbraw/zinc/90/19/56/569901956.db2.gz QLWYZOUEENAEFT-HRAATJIYSA-N 0 0 450.557 2.832 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223174064 569902046 /nfs/dbraw/zinc/90/20/46/569902046.db2.gz SLKRBHPYAJPLRY-IBGZPJMESA-N 0 0 469.966 2.799 40 0 JFABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1CCCN1CCOCC1 ZINC000223178019 569902201 /nfs/dbraw/zinc/90/22/01/569902201.db2.gz WWNPZXYZNBTLPS-VJBMBRPKSA-N 0 0 455.628 2.757 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223184531 569902623 /nfs/dbraw/zinc/90/26/23/569902623.db2.gz XIKXYYICTUKAIC-HXUWFJFHSA-N 0 0 466.003 2.822 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223210632 569903625 /nfs/dbraw/zinc/90/36/25/569903625.db2.gz MTBQYLKXZVOVLR-IBGZPJMESA-N 0 0 469.966 2.799 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223214175 569903763 /nfs/dbraw/zinc/90/37/63/569903763.db2.gz BRUSXARGOAYUNM-HXUWFJFHSA-N 0 0 463.575 2.762 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223254487 569905026 /nfs/dbraw/zinc/90/50/26/569905026.db2.gz BWTLHVHEAPUACA-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000223270332 569905593 /nfs/dbraw/zinc/90/55/93/569905593.db2.gz WTIPGZOGOYWTPB-RUZDIDTESA-N 0 0 467.610 2.884 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)CN(Cc3ccccc3Cl)S(C)(=O)=O)n2)cc1 ZINC000223318279 569907331 /nfs/dbraw/zinc/90/73/31/569907331.db2.gz QKYIOSXBEHILDP-UHFFFAOYSA-N 0 0 478.958 2.819 40 0 JFABRN CC(C)CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000223332404 569907847 /nfs/dbraw/zinc/90/78/47/569907847.db2.gz UBBDVTIYTWFCHN-HSZRJFAPSA-N 0 0 459.612 2.810 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223390383 569909645 /nfs/dbraw/zinc/90/96/45/569909645.db2.gz CNNYVNVGDMAKOS-HXUWFJFHSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223407885 569910241 /nfs/dbraw/zinc/91/02/41/569910241.db2.gz YZJNANZMQGZOIO-JOCHJYFZSA-N 0 0 475.611 2.795 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223431270 569911166 /nfs/dbraw/zinc/91/11/66/569911166.db2.gz LRDISULASCSZTL-FQEVSTJZSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223433746 569911311 /nfs/dbraw/zinc/91/13/11/569911311.db2.gz DGRLJPHZZLXGLH-FQEVSTJZSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223433877 569911305 /nfs/dbraw/zinc/91/13/05/569911305.db2.gz TTZKZCUREYIBBB-NRFANRHFSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223450922 569911774 /nfs/dbraw/zinc/91/17/74/569911774.db2.gz XWPDPAITNBZJKU-QFIPXVFZSA-N 0 0 475.611 2.795 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223458816 569911988 /nfs/dbraw/zinc/91/19/88/569911988.db2.gz GHGLKOGZCWBEFX-YUXAGFNASA-N 0 0 469.582 2.670 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223477926 569912658 /nfs/dbraw/zinc/91/26/58/569912658.db2.gz AWWAEECSKFCMTQ-OAQYLSRUSA-N 0 0 459.612 2.665 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223497917 569913579 /nfs/dbraw/zinc/91/35/79/569913579.db2.gz SRBPPJYORAYIMR-HSZRJFAPSA-N 0 0 489.638 2.837 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000223535514 569914975 /nfs/dbraw/zinc/91/49/75/569914975.db2.gz PLSJBGVQTGOLJN-UHFFFAOYSA-N 0 0 458.540 2.587 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1cccc2ccccc21 ZINC000223536259 569915063 /nfs/dbraw/zinc/91/50/63/569915063.db2.gz LIZYTMSRGKQDTJ-UHFFFAOYSA-N 0 0 470.547 2.678 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000223538276 569915082 /nfs/dbraw/zinc/91/50/82/569915082.db2.gz AUGNHXQOWOWWGB-UHFFFAOYSA-N 0 0 476.595 2.788 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000223539751 569915186 /nfs/dbraw/zinc/91/51/86/569915186.db2.gz XNGGQGDZULXDBM-UHFFFAOYSA-N 0 0 470.547 2.962 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000223543220 569915387 /nfs/dbraw/zinc/91/53/87/569915387.db2.gz PICAJQHWNWOWKJ-SFHVURJKSA-N 0 0 463.575 2.925 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223562721 569916200 /nfs/dbraw/zinc/91/62/00/569916200.db2.gz JGOFLGITXREJGZ-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223563542 569916217 /nfs/dbraw/zinc/91/62/17/569916217.db2.gz XDASFUJWPAKYGE-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223564986 569916284 /nfs/dbraw/zinc/91/62/84/569916284.db2.gz UWLGNSNWYLIUGV-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223587051 569917013 /nfs/dbraw/zinc/91/70/13/569917013.db2.gz HDJHYEGUMCGWBM-HXUWFJFHSA-N 0 0 459.612 2.949 40 0 JFABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223600622 569917421 /nfs/dbraw/zinc/91/74/21/569917421.db2.gz YIBQNZGGNRBNBM-OAQYLSRUSA-N 0 0 485.606 2.945 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223608377 569917725 /nfs/dbraw/zinc/91/77/25/569917725.db2.gz WYRALQSUQPXJSM-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223610362 569917857 /nfs/dbraw/zinc/91/78/57/569917857.db2.gz FOCAYRKRHVKGTP-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccc(OC)cc2)s1)c1ccc2c(c1)OCO2 ZINC000223614213 569917929 /nfs/dbraw/zinc/91/79/29/569917929.db2.gz KCSIRTVJMRJDKU-UHFFFAOYSA-N 0 0 476.536 2.737 40 0 JFABRN COC(=O)c1ccc(CS(=O)(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000223638248 569918706 /nfs/dbraw/zinc/91/87/06/569918706.db2.gz YKCNPMWCSHTWSJ-UHFFFAOYSA-N 0 0 461.496 2.502 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223651908 569918951 /nfs/dbraw/zinc/91/89/51/569918951.db2.gz FABDFIMSUDVDAX-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223652811 569919027 /nfs/dbraw/zinc/91/90/27/569919027.db2.gz FTSMHBKUFNXCQF-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223653725 569919064 /nfs/dbraw/zinc/91/90/64/569919064.db2.gz UTHUCUQIHYTRDS-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223654964 569919087 /nfs/dbraw/zinc/91/90/87/569919087.db2.gz OQRZWPHWUNOBQL-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223655624 569919177 /nfs/dbraw/zinc/91/91/77/569919177.db2.gz FNMRGCDCAYORGV-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223659984 569919320 /nfs/dbraw/zinc/91/93/20/569919320.db2.gz DQGKUZTZFYPASM-LJQANCHMSA-N 0 0 459.612 2.877 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)s1 ZINC000223662166 569919342 /nfs/dbraw/zinc/91/93/42/569919342.db2.gz WPGQGPNOAWPMBN-UHFFFAOYSA-N 0 0 470.598 2.539 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223663158 569919374 /nfs/dbraw/zinc/91/93/74/569919374.db2.gz NGWZNLMYLDUXJE-SFHVURJKSA-N 0 0 473.595 2.517 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223676131 569919717 /nfs/dbraw/zinc/91/97/17/569919717.db2.gz QLWSPDRPFCRLGT-KRWDZBQOSA-N 0 0 466.003 2.822 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223696785 569920283 /nfs/dbraw/zinc/92/02/83/569920283.db2.gz MENITCRKHRWIHE-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223697826 569920335 /nfs/dbraw/zinc/92/03/35/569920335.db2.gz TYRUTDOXJSGWPO-UHFFFAOYSA-N 0 0 476.595 2.822 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223700019 569920405 /nfs/dbraw/zinc/92/04/05/569920405.db2.gz MLNUNEPAVRUGEQ-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223699879 569920435 /nfs/dbraw/zinc/92/04/35/569920435.db2.gz IJPHLQKVZOLUNZ-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN C[C@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223741916 569921809 /nfs/dbraw/zinc/92/18/09/569921809.db2.gz YNCFWWCAEWWNAN-AHKGRUIUSA-N 0 0 463.550 2.977 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223742748 569921818 /nfs/dbraw/zinc/92/18/18/569921818.db2.gz CYEYJAAMFWZDCD-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223742801 569921843 /nfs/dbraw/zinc/92/18/43/569921843.db2.gz CYEYJAAMFWZDCD-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223742883 569921891 /nfs/dbraw/zinc/92/18/91/569921891.db2.gz KCVSZIUXFLFWDP-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223749479 569922038 /nfs/dbraw/zinc/92/20/38/569922038.db2.gz ZBKXRARYXRSDFQ-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223761699 569922448 /nfs/dbraw/zinc/92/24/48/569922448.db2.gz YEICOBWYRJWHGE-INIZCTEOSA-N 0 0 499.008 2.645 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1C(=O)N1CCOCC1 ZINC000223771254 569922760 /nfs/dbraw/zinc/92/27/60/569922760.db2.gz JFIGCOUIPSOAFT-UHFFFAOYSA-N 0 0 462.568 2.648 40 0 JFABRN Cc1ccccc1OCCNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223773019 569922825 /nfs/dbraw/zinc/92/28/25/569922825.db2.gz BJIAUQAPIZNCOP-UHFFFAOYSA-N 0 0 488.347 2.561 40 0 JFABRN Cc1ccccc1CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@H](C)C(=O)NC1CCCC1 ZINC000223775021 569922918 /nfs/dbraw/zinc/92/29/18/569922918.db2.gz WXMHJAZOASSFEX-GOSISDBHSA-N 0 0 483.590 2.616 40 0 JFABRN COc1ccc(CN(C)C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC ZINC000223788243 569923345 /nfs/dbraw/zinc/92/33/45/569923345.db2.gz YKXVRFQHKAFMHM-UHFFFAOYSA-N 0 0 478.567 2.680 40 0 JFABRN Cc1nc(NC(=O)c2cc(C(C)C)n([C@H]3CCS(=O)(=O)C3)n2)sc1C(=O)OC(C)C ZINC000223809873 569924074 /nfs/dbraw/zinc/92/40/74/569924074.db2.gz NDZJLXWUUTWPPN-ZDUSSCGKSA-N 0 0 454.574 2.949 40 0 JFABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000223849492 569925048 /nfs/dbraw/zinc/92/50/48/569925048.db2.gz PRKGYOJJYBCMMG-KBPBESRZSA-N 0 0 489.015 2.784 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(=O)N1CCCCC1 ZINC000223850330 569925103 /nfs/dbraw/zinc/92/51/03/569925103.db2.gz QKWXSFKBMBCTFZ-MRXNPFEDSA-N 0 0 480.608 2.764 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223858991 569925376 /nfs/dbraw/zinc/92/53/76/569925376.db2.gz BCOCNGBDXBDYEJ-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223860541 569925426 /nfs/dbraw/zinc/92/54/26/569925426.db2.gz JFNJBGNCZWFCAP-SFHVURJKSA-N 0 0 493.601 2.852 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223866189 569925623 /nfs/dbraw/zinc/92/56/23/569925623.db2.gz NVOHVQHZNYCWPF-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN COc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000223883312 569926189 /nfs/dbraw/zinc/92/61/89/569926189.db2.gz JBBOTZRDEROEPS-INIZCTEOSA-N 0 0 468.597 2.522 40 0 JFABRN CCCn1c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2sc1=O ZINC000223896019 569926572 /nfs/dbraw/zinc/92/65/72/569926572.db2.gz ZFYUNSFGYCUOHU-ZDUSSCGKSA-N 0 0 454.595 2.916 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223979106 569929250 /nfs/dbraw/zinc/92/92/50/569929250.db2.gz QGPOCOAUXDFQPT-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223979444 569929278 /nfs/dbraw/zinc/92/92/78/569929278.db2.gz OTGKMYRGVOWVHN-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223983562 569929432 /nfs/dbraw/zinc/92/94/32/569929432.db2.gz BALJUEBEGMENSE-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223989579 569929661 /nfs/dbraw/zinc/92/96/61/569929661.db2.gz ZRGDDLWYBUFMSQ-OAHLLOKOSA-N 0 0 499.992 2.807 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223998582 569929927 /nfs/dbraw/zinc/92/99/27/569929927.db2.gz WNDOUWBLFFMUGT-QGZVFWFLSA-N 0 0 451.523 2.625 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000224004023 569930123 /nfs/dbraw/zinc/93/01/23/569930123.db2.gz NVRLJIPBFYZOJY-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224022297 569930827 /nfs/dbraw/zinc/93/08/27/569930827.db2.gz XWLYUJJMZZPFTL-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224028892 569931141 /nfs/dbraw/zinc/93/11/41/569931141.db2.gz WHDPDFUIBSGARB-SFHVURJKSA-N 0 0 475.611 2.577 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224028839 569931152 /nfs/dbraw/zinc/93/11/52/569931152.db2.gz WHDPDFUIBSGARB-GOSISDBHSA-N 0 0 475.611 2.577 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224036322 569931379 /nfs/dbraw/zinc/93/13/79/569931379.db2.gz MRANDAOKCVBAPK-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000224038393 569931487 /nfs/dbraw/zinc/93/14/87/569931487.db2.gz OBZIFSWITNAXGW-NRFANRHFSA-N 0 0 461.584 2.597 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224062569 569932068 /nfs/dbraw/zinc/93/20/68/569932068.db2.gz YRBZZSMOCZRMIO-QGZVFWFLSA-N 0 0 463.575 2.924 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224064230 569932083 /nfs/dbraw/zinc/93/20/83/569932083.db2.gz CWHKXAZOVSIVDY-HXUWFJFHSA-N 0 0 459.612 2.665 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000224063912 569932108 /nfs/dbraw/zinc/93/21/08/569932108.db2.gz DWCFSLYWOIQGCI-FQEVSTJZSA-N 0 0 459.612 2.665 40 0 JFABRN CN(Cc1nc(-c2cccs2)no1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000224079261 569932600 /nfs/dbraw/zinc/93/26/00/569932600.db2.gz LYDVPMXFDFNNNE-UHFFFAOYSA-N 0 0 492.579 2.774 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224079427 569932627 /nfs/dbraw/zinc/93/26/27/569932627.db2.gz UEKNCSMHFOHVKA-IBGZPJMESA-N 0 0 477.602 2.968 40 0 JFABRN CCOc1cc(CNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)ccc1OC ZINC000224082890 569932724 /nfs/dbraw/zinc/93/27/24/569932724.db2.gz WUTJAXJGIBFZGX-UHFFFAOYSA-N 0 0 462.553 2.985 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224087997 569932943 /nfs/dbraw/zinc/93/29/43/569932943.db2.gz GKAJROVHBIVQOA-HXUWFJFHSA-N 0 0 489.638 2.837 40 0 JFABRN Cc1cc(C)cc(OCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1 ZINC000224098734 569933143 /nfs/dbraw/zinc/93/31/43/569933143.db2.gz IMIFRNYBAPUFTL-UHFFFAOYSA-N 0 0 466.003 2.702 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224117344 569933706 /nfs/dbraw/zinc/93/37/06/569933706.db2.gz JKSAXIGNVNXXJG-JOCHJYFZSA-N 0 0 473.595 2.599 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000224122149 569933880 /nfs/dbraw/zinc/93/38/80/569933880.db2.gz OXCHBPRBOCUKPN-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224128264 569934024 /nfs/dbraw/zinc/93/40/24/569934024.db2.gz COTHUZOENMJJDI-FQEVSTJZSA-N 0 0 471.579 2.555 40 0 JFABRN Cc1ccccc1CN(C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@H](C)C(=O)NCC(C)C ZINC000224134729 569934146 /nfs/dbraw/zinc/93/41/46/569934146.db2.gz GBRLRCZQWAJGCT-FCEUIQTBSA-N 0 0 453.583 2.826 40 0 JFABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000224140627 569934347 /nfs/dbraw/zinc/93/43/47/569934347.db2.gz ZGYCOBKDAROPHJ-JRMCHAMMSA-N 0 0 457.596 2.707 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224152610 569934616 /nfs/dbraw/zinc/93/46/16/569934616.db2.gz ZFDYRIUQLXJAPH-QFIPXVFZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224159410 569934911 /nfs/dbraw/zinc/93/49/11/569934911.db2.gz KCFUYHIAFBQWNG-HXUWFJFHSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224164042 569935009 /nfs/dbraw/zinc/93/50/09/569935009.db2.gz DSZVNWJAEJFMIO-NRFANRHFSA-N 0 0 481.565 2.983 40 0 JFABRN COc1cccc(OCCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000224164917 569935079 /nfs/dbraw/zinc/93/50/79/569935079.db2.gz INZRKCWPZIBSAN-UHFFFAOYSA-N 0 0 462.568 2.933 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000224189958 569935794 /nfs/dbraw/zinc/93/57/94/569935794.db2.gz OLOCFYFKNNENQZ-UHFFFAOYSA-N 0 0 478.958 2.898 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224208058 569936567 /nfs/dbraw/zinc/93/65/67/569936567.db2.gz RGXAZKYRYZHXLJ-NRFANRHFSA-N 0 0 481.565 2.983 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccccc3Cl)C2)cc1 ZINC000224215562 569936850 /nfs/dbraw/zinc/93/68/50/569936850.db2.gz UDUBGRCKOJQQAY-MRXNPFEDSA-N 0 0 452.960 2.945 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224215745 569936855 /nfs/dbraw/zinc/93/68/55/569936855.db2.gz STAXJGFESRIOKW-OAQYLSRUSA-N 0 0 492.617 2.690 40 0 JFABRN COc1cccc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c1 ZINC000224230887 569937342 /nfs/dbraw/zinc/93/73/42/569937342.db2.gz SCJOMYJJIPOUBL-DEOSSOPVSA-N 0 0 482.558 2.988 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224248250 569938028 /nfs/dbraw/zinc/93/80/28/569938028.db2.gz IAJSEVOPPDJBII-NRFANRHFSA-N 0 0 463.575 2.844 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224261323 569938452 /nfs/dbraw/zinc/93/84/52/569938452.db2.gz PHOUSHNQJCVOGV-INIZCTEOSA-N 0 0 491.997 2.674 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224289750 569939460 /nfs/dbraw/zinc/93/94/60/569939460.db2.gz MIBHKEKYRPTANI-GOSISDBHSA-N 0 0 463.575 2.781 40 0 JFABRN O=C(CN1c2cccc3cccc(c23)C1=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224295364 569939633 /nfs/dbraw/zinc/93/96/33/569939633.db2.gz FOYCEHYNSKOTJO-UHFFFAOYSA-N 0 0 479.558 2.780 40 0 JFABRN CSc1ccc(S(=O)(=O)NCCOc2ccc(C)c(C)c2)cc1C(=O)N1CCOCC1 ZINC000224324142 569940643 /nfs/dbraw/zinc/94/06/43/569940643.db2.gz QYRZBHFMAPEZNE-UHFFFAOYSA-N 0 0 464.609 2.855 40 0 JFABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224327736 569940815 /nfs/dbraw/zinc/94/08/15/569940815.db2.gz SHJUSYNKYMLXJS-FQEVSTJZSA-N 0 0 462.568 2.832 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224336290 569941053 /nfs/dbraw/zinc/94/10/53/569941053.db2.gz DSDKPGLXGLRASV-OAQYLSRUSA-N 0 0 495.045 2.896 40 0 JFABRN CC[C@@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000224345512 569941333 /nfs/dbraw/zinc/94/13/33/569941333.db2.gz ZDEDPHCCNCGWRL-LBPRGKRZSA-N 0 0 496.995 2.779 40 0 JFABRN COc1ccc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2c1 ZINC000224346572 569941396 /nfs/dbraw/zinc/94/13/96/569941396.db2.gz ZVKUESWRZKHHMO-UHFFFAOYSA-N 0 0 490.603 2.990 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224376558 569942453 /nfs/dbraw/zinc/94/24/53/569942453.db2.gz KNXLVMZXMFTJSZ-JOCHJYFZSA-N 0 0 491.585 2.738 40 0 JFABRN O=S(=O)(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000224378170 569942500 /nfs/dbraw/zinc/94/25/00/569942500.db2.gz QORLPGXKEHEGLP-UHFFFAOYSA-N 0 0 458.989 2.872 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000224382385 569942650 /nfs/dbraw/zinc/94/26/50/569942650.db2.gz YBDIBPYETHKWPS-UHFFFAOYSA-N 0 0 467.975 2.507 40 0 JFABRN COc1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000224386329 569942839 /nfs/dbraw/zinc/94/28/39/569942839.db2.gz ZTZFLNPMBSJZHM-OAQYLSRUSA-N 0 0 460.596 2.865 40 0 JFABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000224395460 569943136 /nfs/dbraw/zinc/94/31/36/569943136.db2.gz VASXNHXNJZBPSP-UHFFFAOYSA-N 0 0 485.606 2.792 40 0 JFABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000224395055 569943154 /nfs/dbraw/zinc/94/31/54/569943154.db2.gz AWOCCVATLIGNPU-UHFFFAOYSA-N 0 0 471.579 2.797 40 0 JFABRN O=C(CSCc1cccc(Cl)c1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224431451 569944316 /nfs/dbraw/zinc/94/43/16/569944316.db2.gz SJEQHXNSIJUEMQ-UHFFFAOYSA-N 0 0 485.027 2.789 40 0 JFABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000224461438 569945180 /nfs/dbraw/zinc/94/51/80/569945180.db2.gz ZQLWVEAHPWDTCY-UHFFFAOYSA-N 0 0 473.595 2.507 40 0 JFABRN O=C(CCSCc1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224468207 569945353 /nfs/dbraw/zinc/94/53/53/569945353.db2.gz YYUZNKXZDKLTLU-UHFFFAOYSA-N 0 0 464.609 2.526 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224468455 569945417 /nfs/dbraw/zinc/94/54/17/569945417.db2.gz NYORJSAADGTZHV-SFHVURJKSA-N 0 0 493.601 2.790 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000224482960 569945893 /nfs/dbraw/zinc/94/58/93/569945893.db2.gz RQVSYZXNVQHIRJ-INIZCTEOSA-N 0 0 450.532 2.665 40 0 JFABRN CCc1ccc(O[C@H](CC)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000224492254 569946155 /nfs/dbraw/zinc/94/61/55/569946155.db2.gz KENOZKZZPVTXCO-HSZRJFAPSA-N 0 0 476.595 2.623 40 0 JFABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224492494 569946180 /nfs/dbraw/zinc/94/61/80/569946180.db2.gz HJVQVKWENLLUFA-QFIPXVFZSA-N 0 0 476.595 2.677 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224502527 569946480 /nfs/dbraw/zinc/94/64/80/569946480.db2.gz XHSGOVYZWUREOC-GOSISDBHSA-N 0 0 495.592 2.963 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccccc3OC)Oc3ccccc32)cc1 ZINC000224514787 569946943 /nfs/dbraw/zinc/94/69/43/569946943.db2.gz QLULYEMIAHFTJQ-DEOSSOPVSA-N 0 0 498.557 2.855 40 0 JFABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224539983 569947686 /nfs/dbraw/zinc/94/76/86/569947686.db2.gz NHAXEQSFXMGHSC-HSZRJFAPSA-N 0 0 488.654 2.879 40 0 JFABRN COc1ccccc1N1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)CC1 ZINC000224544708 569947892 /nfs/dbraw/zinc/94/78/92/569947892.db2.gz SCGYSUNCRYCMJP-UHFFFAOYSA-N 0 0 493.998 2.963 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000224565806 569948725 /nfs/dbraw/zinc/94/87/25/569948725.db2.gz MOOVPRAKLBAJQT-UHFFFAOYSA-N 0 0 499.677 2.810 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224574268 569949087 /nfs/dbraw/zinc/94/90/87/569949087.db2.gz UGHXMXJRYAMQQW-QHCPKHFHSA-N 0 0 489.638 2.967 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000224582322 569949497 /nfs/dbraw/zinc/94/94/97/569949497.db2.gz ZETSPXFBZCFQAE-UHFFFAOYSA-N 0 0 481.565 2.660 40 0 JFABRN CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCc2ccc(OC)c(OC)c2)S1(=O)=O ZINC000224583261 569949527 /nfs/dbraw/zinc/94/95/27/569949527.db2.gz VWAFXBDYGIQFRP-UHFFFAOYSA-N 0 0 476.551 2.938 40 0 JFABRN CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCCOCc2ccccc2)S1(=O)=O ZINC000224582935 569949556 /nfs/dbraw/zinc/94/95/56/569949556.db2.gz SIOZJNDSYUFWKQ-UHFFFAOYSA-N 0 0 460.552 2.938 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000224613765 569950792 /nfs/dbraw/zinc/95/07/92/569950792.db2.gz NEJIZKHKZKGWEY-UHFFFAOYSA-N 0 0 457.596 2.827 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCc1ccc(F)cc1 ZINC000224617132 569950984 /nfs/dbraw/zinc/95/09/84/569950984.db2.gz RFXZNXKXGBUGPV-UHFFFAOYSA-N 0 0 464.559 2.537 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224630885 569951512 /nfs/dbraw/zinc/95/15/12/569951512.db2.gz XYLDDNARHPXZTJ-SFHVURJKSA-N 0 0 495.045 2.895 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1nc(-c2ccccc2)no1)c1ccc(F)c(F)c1 ZINC000224641848 569951891 /nfs/dbraw/zinc/95/18/91/569951891.db2.gz PFDLSLARXZEEDI-UHFFFAOYSA-N 0 0 450.467 2.877 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224643434 569951946 /nfs/dbraw/zinc/95/19/46/569951946.db2.gz SMFHTSWUXLMACM-IBGZPJMESA-N 0 0 459.612 2.959 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000224644475 569952039 /nfs/dbraw/zinc/95/20/39/569952039.db2.gz DVIAWGGQWSVZMR-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224644356 569952048 /nfs/dbraw/zinc/95/20/48/569952048.db2.gz LWNRLXKVWBOZAX-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224649085 569952191 /nfs/dbraw/zinc/95/21/91/569952191.db2.gz GGFUXPXIGHYVFY-LJQANCHMSA-N 0 0 459.612 2.959 40 0 JFABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224649576 569952196 /nfs/dbraw/zinc/95/21/96/569952196.db2.gz WCWPCIJMVXLHJT-OAQYLSRUSA-N 0 0 485.606 2.719 40 0 JFABRN Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000224653141 569952320 /nfs/dbraw/zinc/95/23/20/569952320.db2.gz FCDDMSUNCKVZLR-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN CCOc1cc(CNC(=O)[C@@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)ccc1OC ZINC000224656529 569952448 /nfs/dbraw/zinc/95/24/48/569952448.db2.gz GOJIBOGEDOTZQW-LJQANCHMSA-N 0 0 450.557 2.964 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000224658573 569952519 /nfs/dbraw/zinc/95/25/19/569952519.db2.gz MLMKYAJUIULSEH-KRWDZBQOSA-N 0 0 479.574 2.542 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224680505 569953418 /nfs/dbraw/zinc/95/34/18/569953418.db2.gz GYSONTQGUIPCHE-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224693121 569953728 /nfs/dbraw/zinc/95/37/28/569953728.db2.gz OVSOEXSKFRKQBG-IBGZPJMESA-N 0 0 492.617 2.690 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224695575 569953860 /nfs/dbraw/zinc/95/38/60/569953860.db2.gz ZKYHQEWNCRMKAE-FQEVSTJZSA-N 0 0 459.612 2.867 40 0 JFABRN COc1ccc(OC)c(N(CCCC(=O)NCCOc2cccc(C)c2)S(C)(=O)=O)c1 ZINC000224718461 569954679 /nfs/dbraw/zinc/95/46/79/569954679.db2.gz SYGNULUTXNBHGC-UHFFFAOYSA-N 0 0 450.557 2.754 40 0 JFABRN C[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224724896 569954860 /nfs/dbraw/zinc/95/48/60/569954860.db2.gz GDQLVPGGFOVZTF-QGZVFWFLSA-N 0 0 466.003 2.643 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224726922 569954933 /nfs/dbraw/zinc/95/49/33/569954933.db2.gz KIVRENLXRVOYCL-HXUWFJFHSA-N 0 0 474.627 2.551 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224734565 569955361 /nfs/dbraw/zinc/95/53/61/569955361.db2.gz BGYODBZNLFBZBD-LJQANCHMSA-N 0 0 485.606 2.863 40 0 JFABRN CSc1ccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1C(=O)N1CCCC1 ZINC000224736033 569955477 /nfs/dbraw/zinc/95/54/77/569955477.db2.gz CWNRQSPQAMEKOZ-UHFFFAOYSA-N 0 0 489.663 2.955 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000224736778 569955482 /nfs/dbraw/zinc/95/54/82/569955482.db2.gz RRHNDLKGEYBVMI-UHFFFAOYSA-N 0 0 489.613 2.516 40 0 JFABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000224736707 569955496 /nfs/dbraw/zinc/95/54/96/569955496.db2.gz MEOCDNNERYTBIK-UHFFFAOYSA-N 0 0 485.650 2.685 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224807061 569958434 /nfs/dbraw/zinc/95/84/34/569958434.db2.gz YKIURDWGLGLQQM-INIZCTEOSA-N 0 0 491.997 2.818 40 0 JFABRN COc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 ZINC000224898870 569962331 /nfs/dbraw/zinc/96/23/31/569962331.db2.gz CJUVBOIVTPFPDJ-FQEVSTJZSA-N 0 0 489.594 2.789 40 0 JFABRN CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224965450 569965585 /nfs/dbraw/zinc/96/55/85/569965585.db2.gz GVQCPNSEZNMHDW-ZRBLBEILSA-N 0 0 467.610 2.950 40 0 JFABRN CCN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000408594878 569965763 /nfs/dbraw/zinc/96/57/63/569965763.db2.gz PQNKEIOWANBPHM-FQEVSTJZSA-N 0 0 480.428 2.503 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000408595399 569966116 /nfs/dbraw/zinc/96/61/16/569966116.db2.gz RSJKMTYEKLQLPL-CQSZACIVSA-N 0 0 455.939 2.503 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224987568 569967524 /nfs/dbraw/zinc/96/75/24/569967524.db2.gz UHNBEAUEFHGVNX-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000224993213 569967869 /nfs/dbraw/zinc/96/78/69/569967869.db2.gz OSJYAOYEWFOPKK-ZWKOTPCHSA-N 0 0 489.594 2.513 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)CCCN(c3ccccc3OC)S(C)(=O)=O)n2)cc1 ZINC000224997832 569968134 /nfs/dbraw/zinc/96/81/34/569968134.db2.gz USUIFLQBLYSWJB-UHFFFAOYSA-N 0 0 488.566 2.959 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225005165 569968756 /nfs/dbraw/zinc/96/87/56/569968756.db2.gz JLLWLAFQIKFARG-ROUUACIJSA-N 0 0 471.579 2.553 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)Cc1ccc(F)cc1 ZINC000408603581 569970039 /nfs/dbraw/zinc/97/00/39/569970039.db2.gz BTCDHOJKZVZJDS-UHFFFAOYSA-N 0 0 462.284 2.831 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cc1Cl ZINC000225029689 569970282 /nfs/dbraw/zinc/97/02/82/569970282.db2.gz SYQBJHAXSBPUPW-UHFFFAOYSA-N 0 0 455.945 2.667 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225032191 569970462 /nfs/dbraw/zinc/97/04/62/569970462.db2.gz VGWSROTXYPBLMV-IBGZPJMESA-N 0 0 475.611 2.568 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000408606236 569971114 /nfs/dbraw/zinc/97/11/14/569971114.db2.gz OIJFQFZUVSXKMC-GOSISDBHSA-N 0 0 463.575 2.876 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)sc(=O)n4C)C2)cc1 ZINC000225045633 569971561 /nfs/dbraw/zinc/97/15/61/569971561.db2.gz FWKIDJHREOMIMN-CQSZACIVSA-N 0 0 461.565 2.648 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000225051331 569971943 /nfs/dbraw/zinc/97/19/43/569971943.db2.gz HYONOYVMQKNJGC-FQEVSTJZSA-N 0 0 489.638 2.837 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1Cl ZINC000408610020 569972330 /nfs/dbraw/zinc/97/23/30/569972330.db2.gz UIYMOYOHJNBLJF-AWEZNQCLSA-N 0 0 454.932 2.776 40 0 JFABRN Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1C(=O)N1CCOCC1 ZINC000408610689 569972535 /nfs/dbraw/zinc/97/25/35/569972535.db2.gz VIKIELPRQVXHLZ-UHFFFAOYSA-N 0 0 486.331 2.873 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225065820 569973099 /nfs/dbraw/zinc/97/30/99/569973099.db2.gz SPJQMEOCJUMTDP-LJQANCHMSA-N 0 0 485.606 2.597 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000408614359 569973841 /nfs/dbraw/zinc/97/38/41/569973841.db2.gz BGPGEKHJYMLNMX-SFHVURJKSA-N 0 0 461.584 2.863 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1Cl ZINC000408614420 569973937 /nfs/dbraw/zinc/97/39/37/569973937.db2.gz CAKWWIOTBNHLND-INIZCTEOSA-N 0 0 495.985 2.662 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408614773 569974219 /nfs/dbraw/zinc/97/42/19/569974219.db2.gz HULIWTIHEIPVGN-HNNXBMFYSA-N 0 0 467.975 2.900 40 0 JFABRN CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)cc3C)cc2)C1 ZINC000408614914 569974262 /nfs/dbraw/zinc/97/42/62/569974262.db2.gz JRMITHHPVLRPLH-AWEZNQCLSA-N 0 0 460.328 2.874 40 0 JFABRN COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)C1 ZINC000408615023 569974280 /nfs/dbraw/zinc/97/42/80/569974280.db2.gz KYFIIGHGVHFXEC-IBGZPJMESA-N 0 0 453.539 2.827 40 0 JFABRN Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)c1 ZINC000408615065 569974378 /nfs/dbraw/zinc/97/43/78/569974378.db2.gz LMIGOGYXFMHVNR-GCJKJVERSA-N 0 0 451.523 2.661 40 0 JFABRN CCc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCOC)CC3=O)cc2)cc1 ZINC000408615298 569974589 /nfs/dbraw/zinc/97/45/89/569974589.db2.gz ONCVWFLEDAVETD-IBGZPJMESA-N 0 0 453.539 2.772 40 0 JFABRN COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)C1 ZINC000408615204 569974590 /nfs/dbraw/zinc/97/45/90/569974590.db2.gz NIJQCLLOEPSVPU-LJQANCHMSA-N 0 0 453.539 2.827 40 0 JFABRN CCc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCOC)CC2=O)cc1 ZINC000408615584 569974915 /nfs/dbraw/zinc/97/49/15/569974915.db2.gz QWUOHZNQOQUEGQ-LJQANCHMSA-N 0 0 453.539 2.772 40 0 JFABRN Cc1ccc(C)c(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)c1 ZINC000408615830 569975014 /nfs/dbraw/zinc/97/50/14/569975014.db2.gz SRXXDYYEZUNXPI-DENIHFKCSA-N 0 0 465.550 2.969 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000408615966 569975134 /nfs/dbraw/zinc/97/51/34/569975134.db2.gz DKCQMKZAELJLHD-GOSISDBHSA-N 0 0 461.584 2.863 40 0 JFABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H](C)O)CC2=O)cc1 ZINC000408616473 569975623 /nfs/dbraw/zinc/97/56/23/569975623.db2.gz ZCFYHXSWAIAEIR-HOCLYGCPSA-N 0 0 459.930 2.516 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2cccc(Cl)c2)cc1 ZINC000408617118 569976049 /nfs/dbraw/zinc/97/60/49/569976049.db2.gz HSBDHNPWGBSDIN-UHFFFAOYSA-N 0 0 462.959 2.947 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000408617238 569976060 /nfs/dbraw/zinc/97/60/60/569976060.db2.gz CHCJMCIAYYQPCN-JRMCHAMMSA-N 0 0 457.596 2.610 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000408617239 569976067 /nfs/dbraw/zinc/97/60/67/569976067.db2.gz CHCJMCIAYYQPCN-OSICKASQSA-N 0 0 457.596 2.610 40 0 JFABRN CCOc1ccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000408617246 569976082 /nfs/dbraw/zinc/97/60/82/569976082.db2.gz FPBPNVXDOMNLON-JXMROGBWSA-N 0 0 457.596 2.709 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225125212 569976470 /nfs/dbraw/zinc/97/64/70/569976470.db2.gz IIWUNBYORFITSL-MOPGFXCFSA-N 0 0 485.606 2.862 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(C)c(Cl)c1 ZINC000408618874 569976973 /nfs/dbraw/zinc/97/69/73/569976973.db2.gz GQHQJAOUCRZCSE-UHFFFAOYSA-N 0 0 496.029 2.609 40 0 JFABRN Cc1ccc(Cl)cc1N(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000408620150 569977697 /nfs/dbraw/zinc/97/76/97/569977697.db2.gz NBZCIMFSEYXSDR-UHFFFAOYSA-N 0 0 466.003 2.682 40 0 JFABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(Br)c2)cc(C(=O)OC)c1 ZINC000408621141 569978121 /nfs/dbraw/zinc/97/81/21/569978121.db2.gz OFUUUDHKCYUMDQ-UHFFFAOYSA-N 0 0 458.286 2.832 40 0 JFABRN COc1cccc(OCCNC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 ZINC000225154012 569978576 /nfs/dbraw/zinc/97/85/76/569978576.db2.gz MEBKXOSLHVDGPA-UHFFFAOYSA-N 0 0 462.568 2.616 40 0 JFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCCn2ccnc2)cc1Cl ZINC000408623491 569979373 /nfs/dbraw/zinc/97/93/73/569979373.db2.gz RJRSTLFUVPWVHT-UHFFFAOYSA-N 0 0 491.013 2.985 40 0 JFABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1ccnc1 ZINC000408625010 569979978 /nfs/dbraw/zinc/97/99/78/569979978.db2.gz WLWQLYQTKSBIDV-UHFFFAOYSA-N 0 0 460.987 2.976 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C ZINC000408625352 569980061 /nfs/dbraw/zinc/98/00/61/569980061.db2.gz SEYDXPBAEPYZSS-OGECGYFKSA-N 0 0 471.623 2.918 40 0 JFABRN COc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000408626106 569980499 /nfs/dbraw/zinc/98/04/99/569980499.db2.gz LWTQWYCMVSXATK-UHFFFAOYSA-N 0 0 462.959 2.947 40 0 JFABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1 ZINC000408626353 569980671 /nfs/dbraw/zinc/98/06/71/569980671.db2.gz WTDVIGHKPYMXKL-FXAWDEMLSA-N 0 0 489.594 2.787 40 0 JFABRN COCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1C ZINC000408627245 569981022 /nfs/dbraw/zinc/98/10/22/569981022.db2.gz YSPWLJKOFCSZGL-UHFFFAOYSA-N 0 0 451.976 2.536 40 0 JFABRN COC(=O)c1c(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)sc2c1CCC2 ZINC000408627964 569981308 /nfs/dbraw/zinc/98/13/08/569981308.db2.gz RZFIIHXEMNYPKS-UHFFFAOYSA-N 0 0 450.538 2.631 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408629631 569981709 /nfs/dbraw/zinc/98/17/09/569981709.db2.gz FKGKTRKSVGIEPK-OAHLLOKOSA-N 0 0 462.524 2.670 40 0 JFABRN COc1ccccc1N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(C)(=O)=O ZINC000408629657 569981738 /nfs/dbraw/zinc/98/17/38/569981738.db2.gz FSNOYCMVXMEIEI-UHFFFAOYSA-N 0 0 471.501 2.829 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000408629737 569981746 /nfs/dbraw/zinc/98/17/46/569981746.db2.gz HCFQCRIIYBGSEO-CQSZACIVSA-N 0 0 450.513 2.592 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000225195701 569981790 /nfs/dbraw/zinc/98/17/90/569981790.db2.gz DVDAYBQCFZZHMM-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000225199285 569981951 /nfs/dbraw/zinc/98/19/51/569981951.db2.gz CQDJGEDHBCPLIK-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2cccc(C)c2C)cc1 ZINC000408630087 569982023 /nfs/dbraw/zinc/98/20/23/569982023.db2.gz NJLKZAHQISUGLW-UHFFFAOYSA-N 0 0 459.612 2.646 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225220910 569983398 /nfs/dbraw/zinc/98/33/98/569983398.db2.gz SWJDOKYEZPPIIE-QZTJIDSGSA-N 0 0 463.575 2.924 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225239880 569984975 /nfs/dbraw/zinc/98/49/75/569984975.db2.gz YYKSUYIRFHFLOX-IRXDYDNUSA-N 0 0 489.569 2.692 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccs2)no1 ZINC000225247665 569985467 /nfs/dbraw/zinc/98/54/67/569985467.db2.gz IKUQXYSTFAXYRG-HNNXBMFYSA-N 0 0 450.542 2.668 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc2)cc1OC ZINC000225248562 569985549 /nfs/dbraw/zinc/98/55/49/569985549.db2.gz ZLARWYNBOALXDY-LJQANCHMSA-N 0 0 498.557 2.855 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(C)ccc4O3)s2)cc1 ZINC000225252194 569985905 /nfs/dbraw/zinc/98/59/05/569985905.db2.gz KPGRDEQMJBSQCQ-KRWDZBQOSA-N 0 0 460.537 2.688 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(OC)c(Cl)cc2OC)c(Cl)c1 ZINC000408635565 569985954 /nfs/dbraw/zinc/98/59/54/569985954.db2.gz DXZIJKVVAZPMET-UHFFFAOYSA-N 0 0 493.365 2.953 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000408635666 569985975 /nfs/dbraw/zinc/98/59/75/569985975.db2.gz GXVCLRZTFQLBKA-UHFFFAOYSA-N 0 0 481.615 2.628 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C(=O)N1CCCCC1 ZINC000408635922 569986228 /nfs/dbraw/zinc/98/62/28/569986228.db2.gz JQEWILFAPLAXAA-UHFFFAOYSA-N 0 0 485.606 2.856 40 0 JFABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2Cl)CC1 ZINC000408635997 569986292 /nfs/dbraw/zinc/98/62/92/569986292.db2.gz NUIJFSPSDRWMTP-UHFFFAOYSA-N 0 0 478.014 2.630 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NCCCn1ccnc1 ZINC000408636181 569986434 /nfs/dbraw/zinc/98/64/34/569986434.db2.gz WZVQXPWNRXOVLP-UHFFFAOYSA-N 0 0 468.579 2.918 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225263596 569986750 /nfs/dbraw/zinc/98/67/50/569986750.db2.gz YJWVBRAKWAEPIY-JOCHJYFZSA-N 0 0 493.601 2.934 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225270620 569987220 /nfs/dbraw/zinc/98/72/20/569987220.db2.gz FOHBVMNFTNWPCX-QFIPXVFZSA-N 0 0 492.617 2.772 40 0 JFABRN CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000225276021 569987640 /nfs/dbraw/zinc/98/76/40/569987640.db2.gz BVSYVZBRJKVJAB-HZPDHXFCSA-N 0 0 468.959 2.849 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225359609 569992826 /nfs/dbraw/zinc/99/28/26/569992826.db2.gz WRKXXPLULOZZKH-QZTJIDSGSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 ZINC000408648572 569992882 /nfs/dbraw/zinc/99/28/82/569992882.db2.gz ZIHFQLYTVRXPCT-CYBMUJFWSA-N 0 0 462.886 2.901 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225370979 569993533 /nfs/dbraw/zinc/99/35/33/569993533.db2.gz XSAMLJWRCJQEGE-JOCHJYFZSA-N 0 0 475.611 2.795 40 0 JFABRN CCOc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OCC ZINC000225376528 569993795 /nfs/dbraw/zinc/99/37/95/569993795.db2.gz SBANOZXXDHOXCS-MRXNPFEDSA-N 0 0 480.583 2.999 40 0 JFABRN Cc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000408650612 569993838 /nfs/dbraw/zinc/99/38/38/569993838.db2.gz BXJGLIGWNNAWPC-AWEZNQCLSA-N 0 0 464.305 2.977 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000408651241 569994135 /nfs/dbraw/zinc/99/41/35/569994135.db2.gz CTRKOKGUZWGBPN-CYBMUJFWSA-N 0 0 464.305 2.977 40 0 JFABRN COC(=O)CS(=O)(=O)Nc1ccc([C@@H]2CC(=O)c3cc4c(cc3-n3cccc32)OCCO4)cc1 ZINC000225383014 569994174 /nfs/dbraw/zinc/99/41/74/569994174.db2.gz UZLYPLFNMJYPSG-KRWDZBQOSA-N 0 0 482.514 2.882 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C(=O)OC)cc3)CC2=O)cc1 ZINC000408651389 569994315 /nfs/dbraw/zinc/99/43/15/569994315.db2.gz DJXNEKSFSXKBRE-GOSISDBHSA-N 0 0 482.489 2.575 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000225388486 569994438 /nfs/dbraw/zinc/99/44/38/569994438.db2.gz KKJKXXTUZVNALS-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000408651804 569994489 /nfs/dbraw/zinc/99/44/89/569994489.db2.gz FEJGEWMCBSJAFI-HIFRSBDPSA-N 0 0 478.332 2.907 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000225400383 569995050 /nfs/dbraw/zinc/99/50/50/569995050.db2.gz OIMBDEPGJBZWRD-GOSISDBHSA-N 0 0 495.045 2.733 40 0 JFABRN O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NC[C@@H]1CCCO1 ZINC000408652814 569995163 /nfs/dbraw/zinc/99/51/63/569995163.db2.gz IJQNJUPRKRPANX-QYFDERNUSA-N 0 0 485.367 2.875 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225408526 569995359 /nfs/dbraw/zinc/99/53/59/569995359.db2.gz TWGBLJQPFLRTCH-VQTJNVASSA-N 0 0 489.638 2.956 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)Nc1cccc(Cl)c1 ZINC000408653132 569995372 /nfs/dbraw/zinc/99/53/72/569995372.db2.gz IDWFDUNAZHHDBN-GFCCVEGCSA-N 0 0 450.278 2.669 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1N1C(=O)CCC1=O ZINC000225412789 569995598 /nfs/dbraw/zinc/99/55/98/569995598.db2.gz AKPMEEKKIQDSSV-UHFFFAOYSA-N 0 0 463.943 2.513 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1 ZINC000408654126 569996039 /nfs/dbraw/zinc/99/60/39/569996039.db2.gz JPJWRRPMBWQRPJ-LJQANCHMSA-N 0 0 466.490 2.991 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000225421693 569996056 /nfs/dbraw/zinc/99/60/56/569996056.db2.gz CVEPRULDRIYVRO-KRWDZBQOSA-N 0 0 463.575 2.878 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000225423497 569996161 /nfs/dbraw/zinc/99/61/61/569996161.db2.gz KFKLYZCZFGQPJZ-OAHLLOKOSA-N 0 0 469.966 2.717 40 0 JFABRN CN(C)S(=O)(=O)c1cccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000225426199 569996312 /nfs/dbraw/zinc/99/63/12/569996312.db2.gz VVBOMHSEUROWGY-UHFFFAOYSA-N 0 0 465.329 2.679 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC3(c4ccccc4)CCOCC3)C2)cc1 ZINC000225428186 569996372 /nfs/dbraw/zinc/99/63/72/569996372.db2.gz SJIUACSCLIZFAZ-HXUWFJFHSA-N 0 0 472.607 2.961 40 0 JFABRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)ccc1NS(C)(=O)=O ZINC000225432286 569996565 /nfs/dbraw/zinc/99/65/65/569996565.db2.gz MEANDRFYLAGZCQ-UXHICEINSA-N 0 0 457.581 2.977 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225438898 569996998 /nfs/dbraw/zinc/99/69/98/569996998.db2.gz ZNSWQSZSMCVMJA-OAQYLSRUSA-N 0 0 489.638 2.837 40 0 JFABRN Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000408655832 569997114 /nfs/dbraw/zinc/99/71/14/569997114.db2.gz MLYFASHXUYEBGY-CQSZACIVSA-N 0 0 464.305 2.977 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225446421 569997200 /nfs/dbraw/zinc/99/72/00/569997200.db2.gz JHWVVTRUHJBZPL-BHIFYINESA-N 0 0 453.583 2.704 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225451102 569997475 /nfs/dbraw/zinc/99/74/75/569997475.db2.gz IYFZFPJUQBWPPN-MOPGFXCFSA-N 0 0 485.606 2.596 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000225478620 569998640 /nfs/dbraw/zinc/99/86/40/569998640.db2.gz DHGKCYVQPLOICJ-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000225478706 569998653 /nfs/dbraw/zinc/99/86/53/569998653.db2.gz UNLDPQGLDVPUSH-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nnc(SCC(C)C)s1 ZINC000225482023 569998824 /nfs/dbraw/zinc/99/88/24/569998824.db2.gz OKQNDTNGLUBJGZ-UHFFFAOYSA-N 0 0 456.615 2.868 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)COc1ccccc1OC ZINC000225483969 569999065 /nfs/dbraw/zinc/99/90/65/569999065.db2.gz BPCKRRKKPOSARO-LPHOPBHVSA-N 0 0 450.557 2.832 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000408658875 569999194 /nfs/dbraw/zinc/99/91/94/569999194.db2.gz RSGPLNXOXTXSAU-CYBMUJFWSA-N 0 0 464.305 2.977 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000408658877 569999229 /nfs/dbraw/zinc/99/92/29/569999229.db2.gz RSGPLNXOXTXSAU-ZDUSSCGKSA-N 0 0 464.305 2.977 40 0 JFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1OC ZINC000225488354 569999327 /nfs/dbraw/zinc/99/93/27/569999327.db2.gz WSBHBTGDCREUPC-UHFFFAOYSA-N 0 0 466.531 2.569 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225491194 569999492 /nfs/dbraw/zinc/99/94/92/569999492.db2.gz ZKFFWLNISYCHHY-FQEVSTJZSA-N 0 0 459.612 2.866 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000225493644 569999701 /nfs/dbraw/zinc/99/97/01/569999701.db2.gz DFNXUILIKPRJCM-UHFFFAOYSA-N 0 0 488.541 2.992 40 0 JFABRN COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1 ZINC000408660020 570000002 /nfs/dbraw/zinc/00/00/02/570000002.db2.gz UIDKHSLCOCTCAF-QGZVFWFLSA-N 0 0 454.479 2.795 40 0 JFABRN Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c1 ZINC000408660577 570000431 /nfs/dbraw/zinc/00/04/31/570000431.db2.gz UQYMRUIBRUNZLN-MRXNPFEDSA-N 0 0 488.338 2.741 40 0 JFABRN COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000408661034 570000695 /nfs/dbraw/zinc/00/06/95/570000695.db2.gz APLTVSPODMIBMC-UHFFFAOYSA-N 0 0 456.451 2.551 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225507251 570000854 /nfs/dbraw/zinc/00/08/54/570000854.db2.gz UIPLRGSAWCQMOK-KRWDZBQOSA-N 0 0 481.565 2.981 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc1 ZINC000225516017 570001641 /nfs/dbraw/zinc/00/16/41/570001641.db2.gz QUMFHSWDXOUVHS-SFHVURJKSA-N 0 0 470.551 2.805 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc1 ZINC000225515982 570001686 /nfs/dbraw/zinc/00/16/86/570001686.db2.gz QUMFHSWDXOUVHS-GOSISDBHSA-N 0 0 470.551 2.805 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000408662598 570001831 /nfs/dbraw/zinc/00/18/31/570001831.db2.gz KIVQEKOPDFJZNQ-UHFFFAOYSA-N 0 0 470.478 2.941 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000225522890 570002200 /nfs/dbraw/zinc/00/22/00/570002200.db2.gz LMAQIBNFBJCHGR-LJQANCHMSA-N 0 0 473.595 2.801 40 0 JFABRN CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1 ZINC000408663488 570002429 /nfs/dbraw/zinc/00/24/29/570002429.db2.gz YKLYXOOQNKVLHU-INIZCTEOSA-N 0 0 488.338 2.687 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000408664787 570003373 /nfs/dbraw/zinc/00/33/73/570003373.db2.gz ZYNYSFNFXFWGPM-CQSZACIVSA-N 0 0 464.305 2.977 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000408664786 570003412 /nfs/dbraw/zinc/00/34/12/570003412.db2.gz ZYNYSFNFXFWGPM-AWEZNQCLSA-N 0 0 464.305 2.977 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225541005 570003988 /nfs/dbraw/zinc/00/39/88/570003988.db2.gz WPAZLRDFNXSWFK-GHTZIAJQSA-N 0 0 485.606 2.862 40 0 JFABRN Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)cc1 ZINC000225541588 570004100 /nfs/dbraw/zinc/00/41/00/570004100.db2.gz XNPXMZSMNZDDFG-QGZVFWFLSA-N 0 0 458.515 2.901 40 0 JFABRN COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)cc1 ZINC000408665948 570004322 /nfs/dbraw/zinc/00/43/22/570004322.db2.gz RVRRRSASBJUACY-MRXNPFEDSA-N 0 0 465.462 3.319 40 0 JFABRN COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c(OC)c1 ZINC000408665982 570004427 /nfs/dbraw/zinc/00/44/27/570004427.db2.gz RWPUABLYVJEZEA-OALUTQOASA-N 0 0 464.474 2.955 40 0 JFABRN COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)c1 ZINC000408667421 570005375 /nfs/dbraw/zinc/00/53/75/570005375.db2.gz TZDKYLKEVQWBRF-CYBMUJFWSA-N 0 0 462.886 2.901 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1N1C(=O)CCC1=O ZINC000225558593 570005679 /nfs/dbraw/zinc/00/56/79/570005679.db2.gz AQTDMGSRKPLUOS-UHFFFAOYSA-N 0 0 476.898 2.531 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl ZINC000225561208 570005837 /nfs/dbraw/zinc/00/58/37/570005837.db2.gz LUIZEIGBAZZERH-UHFFFAOYSA-N 0 0 452.916 2.790 40 0 JFABRN CCOC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Cl ZINC000225561165 570005844 /nfs/dbraw/zinc/00/58/44/570005844.db2.gz BJTSXCPZVHXMJR-UHFFFAOYSA-N 0 0 452.916 2.790 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225566561 570006196 /nfs/dbraw/zinc/00/61/96/570006196.db2.gz CUCBIPKWACTJSK-SFHVURJKSA-N 0 0 495.045 2.895 40 0 JFABRN Cc1ccc(CN(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(C)(=O)=O)cc1 ZINC000225604171 570008815 /nfs/dbraw/zinc/00/88/15/570008815.db2.gz UUJZTWKJVXVJFR-UHFFFAOYSA-N 0 0 466.563 2.720 40 0 JFABRN COc1ccc(NC(=O)Cc2cccc(Br)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000225619986 570010209 /nfs/dbraw/zinc/01/02/09/570010209.db2.gz ZTHWZBKWJXQAQZ-UHFFFAOYSA-N 0 0 469.357 2.660 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225655298 570012610 /nfs/dbraw/zinc/01/26/10/570012610.db2.gz MABLUQGXHQSCEK-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225671240 570013786 /nfs/dbraw/zinc/01/37/86/570013786.db2.gz UIMAYHIXVGEMMF-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225674233 570013923 /nfs/dbraw/zinc/01/39/23/570013923.db2.gz AVQSDBVPNJXOAM-KRWDZBQOSA-N 0 0 479.574 2.542 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225682720 570014290 /nfs/dbraw/zinc/01/42/90/570014290.db2.gz XOVUDIYRDQZZJA-KRWDZBQOSA-N 0 0 481.565 2.920 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225687704 570014716 /nfs/dbraw/zinc/01/47/16/570014716.db2.gz TUJSJVQBDIXCGS-SFHVURJKSA-N 0 0 463.575 2.576 40 0 JFABRN COc1ccc(OC)c(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000225695385 570015433 /nfs/dbraw/zinc/01/54/33/570015433.db2.gz CPHIQEICOBLAHG-UHFFFAOYSA-N 0 0 450.513 2.660 40 0 JFABRN CC[C@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000225724091 570017867 /nfs/dbraw/zinc/01/78/67/570017867.db2.gz PWEQCUHJSTWPRF-SFHVURJKSA-N 0 0 455.627 2.924 40 0 JFABRN CCCn1c2ccc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2sc1=O ZINC000225724746 570018009 /nfs/dbraw/zinc/01/80/09/570018009.db2.gz DEDIWTTUSFILFC-UHFFFAOYSA-N 0 0 475.592 2.708 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000408696006 570018337 /nfs/dbraw/zinc/01/83/37/570018337.db2.gz YQORHFBCUFXZNO-UHFFFAOYSA-N 0 0 461.584 2.946 40 0 JFABRN CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000408696719 570018787 /nfs/dbraw/zinc/01/87/87/570018787.db2.gz DTJJNLDNPUXDPZ-UHFFFAOYSA-N 0 0 461.559 2.971 40 0 JFABRN Cc1c(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000225756867 570020346 /nfs/dbraw/zinc/02/03/46/570020346.db2.gz UKAPDJXRNNOQDR-UHFFFAOYSA-N 0 0 462.959 2.538 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)CC1 ZINC000408701067 570021521 /nfs/dbraw/zinc/02/15/21/570021521.db2.gz QUGSIHDAGSYBDP-IBGZPJMESA-N 0 0 481.615 2.520 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1N1C(=O)CCC1=O ZINC000225786237 570021629 /nfs/dbraw/zinc/02/16/29/570021629.db2.gz AZJZSSRABBZANG-UHFFFAOYSA-N 0 0 470.507 2.528 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1C(=O)N1CCC(C)CC1 ZINC000408702404 570022446 /nfs/dbraw/zinc/02/24/46/570022446.db2.gz FOIAVUCKPNRSOY-UHFFFAOYSA-N 0 0 495.623 2.764 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000408702873 570022902 /nfs/dbraw/zinc/02/29/02/570022902.db2.gz JFNJBRNYISVMQX-UHFFFAOYSA-N 0 0 475.567 2.781 40 0 JFABRN C[C@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408703406 570023217 /nfs/dbraw/zinc/02/32/17/570023217.db2.gz FRTHYMVODNEOMV-MRXNPFEDSA-N 0 0 499.545 2.774 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000408703309 570023261 /nfs/dbraw/zinc/02/32/61/570023261.db2.gz RMEMLURAACAMDO-UHFFFAOYSA-N 0 0 465.597 2.818 40 0 JFABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000408703507 570023325 /nfs/dbraw/zinc/02/33/25/570023325.db2.gz SXQCQMBSCCTNKN-INIZCTEOSA-N 0 0 475.567 2.781 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000225819882 570023419 /nfs/dbraw/zinc/02/34/19/570023419.db2.gz DAVZDUGOZYJTKX-UHFFFAOYSA-N 0 0 451.302 2.718 40 0 JFABRN Cc1ccccc1CSCCNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704242 570023819 /nfs/dbraw/zinc/02/38/19/570023819.db2.gz LECPTYMEZAGFAD-QGZVFWFLSA-N 0 0 464.609 2.970 40 0 JFABRN Cc1ccc(CSCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000408704493 570024018 /nfs/dbraw/zinc/02/40/18/570024018.db2.gz OLYZYTSMHSSUBB-KRWDZBQOSA-N 0 0 464.609 2.970 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704525 570024043 /nfs/dbraw/zinc/02/40/43/570024043.db2.gz OZYDYZZWUBVTRW-HZPDHXFCSA-N 0 0 475.567 2.779 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000408704907 570024236 /nfs/dbraw/zinc/02/42/36/570024236.db2.gz VNBKSHKHKRUFLP-WEVVVXLNSA-N 0 0 485.606 2.819 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)ccc1Cl ZINC000408704735 570024251 /nfs/dbraw/zinc/02/42/51/570024251.db2.gz RZMXAWGPEOWXIW-LBPRGKRZSA-N 0 0 468.915 2.691 40 0 JFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 ZINC000408705082 570024436 /nfs/dbraw/zinc/02/44/36/570024436.db2.gz XYYDLVLKIUFHBH-QGZVFWFLSA-N 0 0 494.013 2.923 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)c2ccccc2O1 ZINC000225851264 570024824 /nfs/dbraw/zinc/02/48/24/570024824.db2.gz MYGDALMIZMLQSK-KRWDZBQOSA-N 0 0 460.533 2.878 40 0 JFABRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000408705987 570025006 /nfs/dbraw/zinc/02/50/06/570025006.db2.gz SDMJNVGQGRJADI-UHFFFAOYSA-N 0 0 475.567 2.783 40 0 JFABRN CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NCCc3ccccc3)c2)CC1 ZINC000408713534 570025463 /nfs/dbraw/zinc/02/54/63/570025463.db2.gz GTKQSOWWKGIGPD-UHFFFAOYSA-N 0 0 474.579 2.632 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)c2ccccc2O1 ZINC000225867460 570025747 /nfs/dbraw/zinc/02/57/47/570025747.db2.gz SSFLAQLJAZYNBA-FQEVSTJZSA-N 0 0 471.535 2.851 40 0 JFABRN O=C(CCN1C(=O)CCC1=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000225873624 570025970 /nfs/dbraw/zinc/02/59/70/570025970.db2.gz SBGNTPMNHALWFU-UHFFFAOYSA-N 0 0 461.927 2.569 40 0 JFABRN CC(C)Sc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1 ZINC000225882157 570026257 /nfs/dbraw/zinc/02/62/57/570026257.db2.gz LCFZTLXOHNVOJN-UHFFFAOYSA-N 0 0 463.006 2.965 40 0 JFABRN COCCNC(=S)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCC[C@@H](C)C2)n1 ZINC000225898403 570026469 /nfs/dbraw/zinc/02/64/69/570026469.db2.gz OQEKNKJRVOXKQK-LJQANCHMSA-N 0 0 469.659 2.972 40 0 JFABRN S=C(NCCN1CCOCC1)Nc1nc(N2CCCCC2)cc(N2CCc3ccccc3C2)n1 ZINC000225903565 570026598 /nfs/dbraw/zinc/02/65/98/570026598.db2.gz OGUZOKNBVVDZSN-UHFFFAOYSA-N 0 0 481.670 2.648 40 0 JFABRN C[C@@H]1C[C@H](C)CN(c2cc(N3CCCCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225904690 570026711 /nfs/dbraw/zinc/02/67/11/570026711.db2.gz QNDODKRXXJEXMG-BGYRXZFFSA-N 0 0 475.707 2.958 40 0 JFABRN C[C@@H]1CCCN(c2cc(N3Cc4ccccc4C3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225904323 570026773 /nfs/dbraw/zinc/02/67/73/570026773.db2.gz OSFLXQZPAGOHKF-LJQANCHMSA-N 0 0 481.670 2.852 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408727139 570028210 /nfs/dbraw/zinc/02/82/10/570028210.db2.gz QEABELFCXRYZAC-NWKGEQBZSA-N 0 0 492.553 2.926 40 0 JFABRN COc1ccccc1N1CCN(C(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)CC1 ZINC000225952308 570029490 /nfs/dbraw/zinc/02/94/90/570029490.db2.gz NKXXBBAVUGTOER-SFHVURJKSA-N 0 0 451.976 2.678 40 0 JFABRN CCOC(=O)C1(c2ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c3ccc(OC)cc3)cc2)CC1 ZINC000225953753 570029611 /nfs/dbraw/zinc/02/96/11/570029611.db2.gz HIIBXQAZICHMPP-HXUWFJFHSA-N 0 0 460.552 2.909 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)(C)C(=O)Nc2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 ZINC000225958019 570029671 /nfs/dbraw/zinc/02/96/71/570029671.db2.gz DECPEMHMYMKJBV-UHFFFAOYSA-N 0 0 475.567 2.635 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738449 570031172 /nfs/dbraw/zinc/03/11/72/570031172.db2.gz KVSSHVZPPDQJOL-FBHQFGEZSA-N 0 0 494.569 2.911 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000225996454 570031531 /nfs/dbraw/zinc/03/15/31/570031531.db2.gz YDHSCLMZLFYAHU-QHCPKHFHSA-N 0 0 480.542 2.845 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000225997337 570031608 /nfs/dbraw/zinc/03/16/08/570031608.db2.gz NQLNSUFAIPOPFG-UHFFFAOYSA-N 0 0 451.548 2.587 40 0 JFABRN S=C(NCc1ccc2c(c1)OCO2)Nc1nc(N2CCOCC2)cc(N2CCCCCC2)n1 ZINC000226012391 570032615 /nfs/dbraw/zinc/03/26/15/570032615.db2.gz OCEDOVAUTJIHBN-UHFFFAOYSA-N 0 0 470.599 2.909 40 0 JFABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)c(C)c1 ZINC000226037564 570033744 /nfs/dbraw/zinc/03/37/44/570033744.db2.gz LEWZXRWMZBBKNS-UHFFFAOYSA-N 0 0 473.624 2.926 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)c2)n1 ZINC000226051461 570034468 /nfs/dbraw/zinc/03/44/68/570034468.db2.gz JXJLEBRZVQOPDR-UHFFFAOYSA-N 0 0 452.536 2.757 40 0 JFABRN CCN(CC(=O)Nc1cc(S(=O)(=O)NC)ccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000226055254 570034690 /nfs/dbraw/zinc/03/46/90/570034690.db2.gz VOVXCTPCVMKZGP-UHFFFAOYSA-N 0 0 494.422 2.859 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)c(C)c1 ZINC000226054408 570034704 /nfs/dbraw/zinc/03/47/04/570034704.db2.gz HEHRUJIYUYRUID-UHFFFAOYSA-N 0 0 470.551 2.760 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000226074934 570036043 /nfs/dbraw/zinc/03/60/43/570036043.db2.gz LNTUBFPWDVNIGO-UHFFFAOYSA-N 0 0 460.552 2.840 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc3)c2)n1 ZINC000226085933 570036831 /nfs/dbraw/zinc/03/68/31/570036831.db2.gz FXOBXLSXSALGLK-UHFFFAOYSA-N 0 0 468.535 2.547 40 0 JFABRN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(I)c1OC(C)=O ZINC000408762274 570037182 /nfs/dbraw/zinc/03/71/82/570037182.db2.gz JXESXACBXUHCFI-CXUHLZMHSA-N 0 0 492.294 2.995 40 0 JFABRN COc1cccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5[C@@H]6C=C[C@@H](C6)[C@@H]5C4=O)c3)CC2=O)c1 ZINC000226405563 570037935 /nfs/dbraw/zinc/03/79/35/570037935.db2.gz DRWCAAVPLFQKNF-WECCILKDSA-N 0 0 472.497 2.965 40 0 JFABRN Cc1c(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000408771438 570038995 /nfs/dbraw/zinc/03/89/95/570038995.db2.gz GVPBJNUXMGHVLA-UHFFFAOYSA-N 0 0 456.568 2.594 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408781553 570041653 /nfs/dbraw/zinc/04/16/53/570041653.db2.gz BOGAXFZMAOQBFU-JAORQVBISA-N 0 0 468.506 2.652 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408801150 570045609 /nfs/dbraw/zinc/04/56/09/570045609.db2.gz RQUVJOPQIXZISY-JKALPCAWSA-N 0 0 468.506 2.652 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408801151 570045635 /nfs/dbraw/zinc/04/56/35/570045635.db2.gz RQUVJOPQIXZISY-SQWSFHKJSA-N 0 0 468.506 2.652 40 0 JFABRN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccncc4)c(=O)n32)ccc1O ZINC000408814919 570050203 /nfs/dbraw/zinc/05/02/03/570050203.db2.gz GTWWHCJPDGIHDB-YMSBRDKKSA-N 0 0 498.564 2.983 40 0 JFABRN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccncc4)c(=O)n32)ccc1O ZINC000408814915 570050296 /nfs/dbraw/zinc/05/02/96/570050296.db2.gz GTWWHCJPDGIHDB-IGSWSUAKSA-N 0 0 498.564 2.983 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(Cc2cccnc2)C(=O)[C@@H]2[C@H](C(=O)Nc3ccccc3F)[C@@]3(C)C=C[C@]21O3 ZINC000245229639 570056062 /nfs/dbraw/zinc/05/60/62/570056062.db2.gz CHVLMVOAOQLBBG-ACMBTMBKSA-N 0 0 492.551 2.815 40 0 JFABRN C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N(C[C@@H]1CCCO1)[C@@H]3C(=O)NC1CCCCC1)[C@H]2C(=O)Nc1ccccc1 ZINC000245229942 570056263 /nfs/dbraw/zinc/05/62/63/570056263.db2.gz IQXXIQQEQWOUFK-UNAQZMTBSA-N 0 0 493.604 2.794 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3OC)c(=O)n2[C@@H]1c1cccs1 ZINC000408866881 570058336 /nfs/dbraw/zinc/05/83/36/570058336.db2.gz JVLSCMLNIUAARU-LYPXWFNGSA-N 0 0 455.561 2.890 40 0 JFABRN CC(C)(C)NC(=O)[C@H]1CN(Cc2cnc(N3CCCCC3)nc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000248241398 570076615 /nfs/dbraw/zinc/07/66/15/570076615.db2.gz OOVDLEHPJLUAJN-AJTFRIOCSA-N 0 0 476.625 2.538 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc(N3CCCCC3)nc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000248241401 570076619 /nfs/dbraw/zinc/07/66/19/570076619.db2.gz OOVDLEHPJLUAJN-WXVAWEFUSA-N 0 0 476.625 2.538 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408936801 570081691 /nfs/dbraw/zinc/08/16/91/570081691.db2.gz GCSSLCPCNQAUHC-WSDUQJHMSA-N 0 0 458.923 2.972 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(O)cc4)c(=O)n32)cc1OCC ZINC000408937933 570081882 /nfs/dbraw/zinc/08/18/82/570081882.db2.gz RFARRCKNDAWISW-BYUJNSPJSA-N 0 0 480.542 2.521 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc(O)c4)c(=O)n32)cc1OCC ZINC000408941357 570082644 /nfs/dbraw/zinc/08/26/44/570082644.db2.gz VPWKKHHQVPQDRH-ZAAFRKLLSA-N 0 0 480.542 2.521 40 0 JFABRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(O)c(I)c3)C2=O)cc1 ZINC000408965600 570087333 /nfs/dbraw/zinc/08/73/33/570087333.db2.gz WGLAUKTWHPKMKQ-DHDCSXOGSA-N 0 0 477.258 2.837 40 0 JFABRN COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC ZINC000408970497 570088598 /nfs/dbraw/zinc/08/85/98/570088598.db2.gz ALLINAYMKLNJCI-UHFFFAOYSA-N 0 0 456.539 2.932 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408975447 570089677 /nfs/dbraw/zinc/08/96/77/570089677.db2.gz KKYHIYAXLRMRAV-FBHQFGEZSA-N 0 0 464.543 2.903 40 0 JFABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000408987649 570093024 /nfs/dbraw/zinc/09/30/24/570093024.db2.gz GEIHPPYNFDBIEQ-SFHVURJKSA-N 0 0 486.375 2.953 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccccc1 ZINC000408992140 570094303 /nfs/dbraw/zinc/09/43/03/570094303.db2.gz ZVVJMFYEIGKJGW-AFHVAHMMSA-N 0 0 462.527 2.835 40 0 JFABRN CCCN1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCOCC2)C(=O)C1 ZINC000253394344 570095966 /nfs/dbraw/zinc/09/59/66/570095966.db2.gz AZIDBNOGQBLOKM-BQNLEMKZSA-N 0 0 455.599 2.561 40 0 JFABRN COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(Cc1ccccn1)CC2=O ZINC000253399508 570096416 /nfs/dbraw/zinc/09/64/16/570096416.db2.gz JOWYNRPFGZVYMJ-WGTHZCDXSA-N 0 0 492.620 2.650 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccccc3OC(C)=O)sc2=N1 ZINC000409032628 570106035 /nfs/dbraw/zinc/10/60/35/570106035.db2.gz KCTZVGQSGAUKGR-VOSMRYOYSA-N 0 0 462.527 2.724 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cccc(OC)c3OC)sc2=N1 ZINC000409034837 570106333 /nfs/dbraw/zinc/10/63/33/570106333.db2.gz IJGIJHQXLPFHNX-CURYZJDOSA-N 0 0 464.543 2.816 40 0 JFABRN COc1ccc(NC(=O)COc2ccc(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)cc2)cc1 ZINC000256055315 570106853 /nfs/dbraw/zinc/10/68/53/570106853.db2.gz BLCUPWWYDXJNKJ-STZFKDTASA-N 0 0 485.525 2.787 40 0 JFABRN COc1cc(/C=c2\sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000256055606 570106964 /nfs/dbraw/zinc/10/69/64/570106964.db2.gz MXCUTEFILQTCTL-MFOYZWKCSA-N 0 0 476.436 2.744 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(O)c(OC)c3)sc2=N1 ZINC000409038271 570106998 /nfs/dbraw/zinc/10/69/98/570106998.db2.gz VCQFIIRHQGLXFF-FNGUVFISSA-N 0 0 450.516 2.513 40 0 JFABRN CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@@]12O ZINC000256464456 570107113 /nfs/dbraw/zinc/10/71/13/570107113.db2.gz VWLXIXALPNYWFH-OSDGTLELSA-N 0 0 490.637 2.984 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(OC)c(O)c(OC)c3)sc2=N1 ZINC000409039910 570107262 /nfs/dbraw/zinc/10/72/62/570107262.db2.gz XOLQXOAONYCFAB-FNGUVFISSA-N 0 0 480.542 2.521 40 0 JFABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)CCN2C(=O)CCNC2=O)n1 ZINC000257204710 570109280 /nfs/dbraw/zinc/10/92/80/570109280.db2.gz AVYKKFRQIONLHO-QGZVFWFLSA-N 0 0 456.934 2.765 40 0 JFABRN CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3ccc(NC(C)=O)cc3Cl)CCN2C)c1 ZINC000257211459 570111423 /nfs/dbraw/zinc/11/14/23/570111423.db2.gz BYXQRAZMBRNOOF-OAQYLSRUSA-N 0 0 457.962 2.585 40 0 JFABRN COc1cccc(CC(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCOCC3)C2)c1 ZINC000257213039 570112001 /nfs/dbraw/zinc/11/20/01/570112001.db2.gz CFXUSHTXJKCYJP-RDPSFJRHSA-N 0 0 470.541 2.922 40 0 JFABRN Cc1ccnn1CCC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257215526 570112802 /nfs/dbraw/zinc/11/28/02/570112802.db2.gz CQOAYKRPKBQQCR-REWPJTCUSA-N 0 0 488.032 2.695 40 0 JFABRN COc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cc1 ZINC000257220989 570114428 /nfs/dbraw/zinc/11/44/28/570114428.db2.gz DNCLZAKKWFGXPC-URXFXBBRSA-N 0 0 451.567 2.769 40 0 JFABRN CC(=O)N1CCN(Cc2cccc(OCCn3ccnc3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000257224866 570115602 /nfs/dbraw/zinc/11/56/02/570115602.db2.gz FDTBILGAGNJLCO-HHHXNRCGSA-N 0 0 478.593 2.745 40 0 JFABRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1OC ZINC000409064089 570115712 /nfs/dbraw/zinc/11/57/12/570115712.db2.gz BOYSZSFEZDJFEI-CEITULEQSA-N 0 0 457.888 2.888 40 0 JFABRN O=C(CC1(COc2ccc(Cl)cc2)CCN(C(=O)c2cnccn2)CC1)N1CCOCC1 ZINC000257227818 570116421 /nfs/dbraw/zinc/11/64/21/570116421.db2.gz FRBDTZPSPNDTIY-UHFFFAOYSA-N 0 0 458.946 2.680 40 0 JFABRN CN1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CN(Cc3cnn(C4CCCC4)c3)CCO2)CC1 ZINC000257234137 570118282 /nfs/dbraw/zinc/11/82/82/570118282.db2.gz GSIJZHHVFNINEM-HHHXNRCGSA-N 0 0 499.631 2.951 40 0 JFABRN COc1ccc([C@H]2CN(C(C)=O)CCN2C(=O)c2ccccc2OCCN2CCCC2=O)cc1 ZINC000257236119 570118913 /nfs/dbraw/zinc/11/89/13/570118913.db2.gz HAWAZPDLZJHAFY-HSZRJFAPSA-N 0 0 465.550 2.742 40 0 JFABRN O=C(c1ccccc1OCCN1CCOCC1)N1CC[C@]2(CN(Cc3ccccc3)C(=O)O2)C1 ZINC000257237377 570119338 /nfs/dbraw/zinc/11/93/38/570119338.db2.gz HGFPCWSNKPLGNM-AREMUKBSSA-N 0 0 465.550 2.635 40 0 JFABRN CCOCC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257237251 570119391 /nfs/dbraw/zinc/11/93/91/570119391.db2.gz HFTJUFCHUNSOPU-QHCPKHFHSA-N 0 0 451.995 2.528 40 0 JFABRN O=C(C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCOCC1 ZINC000257237898 570119500 /nfs/dbraw/zinc/11/95/00/570119500.db2.gz HISUVTHOKTZVPF-VWLOTQADSA-N 0 0 472.607 2.927 40 0 JFABRN CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1cccc(Nc2cc(C)nc(C)n2)c1 ZINC000257238935 570119926 /nfs/dbraw/zinc/11/99/26/570119926.db2.gz HNELSQWAKLKJFE-XMMPIXPASA-N 0 0 472.593 2.952 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@@H]3CCN(C(=O)CC(C)(C)C)C3)n2)n[nH]1 ZINC000257242661 570120942 /nfs/dbraw/zinc/12/09/42/570120942.db2.gz IDOQEPQKZZGFQZ-SFHVURJKSA-N 0 0 454.623 2.831 40 0 JFABRN O=C(c1ccccc1CN1CCOCC1)N1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2 ZINC000257243713 570121198 /nfs/dbraw/zinc/12/11/98/570121198.db2.gz IIFKSLNEHCDJRW-JYFHCDHNSA-N 0 0 451.542 2.936 40 0 JFABRN CN1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CN(C(=O)C(C)(C)C)CCO2)CC1 ZINC000257246501 570122046 /nfs/dbraw/zinc/12/20/46/570122046.db2.gz IUJANVABSBHHPD-QHCPKHFHSA-N 0 0 451.995 2.527 40 0 JFABRN COc1ccc([C@H]2CN(C(=O)c3ccccc3NC(=O)c3ccn(C)n3)CCN2C(C)=O)cc1 ZINC000257256433 570125115 /nfs/dbraw/zinc/12/51/15/570125115.db2.gz KLLSRYRLLWGHGV-HSZRJFAPSA-N 0 0 461.522 2.727 40 0 JFABRN Cc1noc(C)c1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257257263 570125417 /nfs/dbraw/zinc/12/54/17/570125417.db2.gz KOUYRIMOUIBKGQ-REWPJTCUSA-N 0 0 455.555 2.769 40 0 JFABRN O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCOC[C@@H](Cc2cccc3n[nH]cc32)C1 ZINC000257259419 570126124 /nfs/dbraw/zinc/12/61/24/570126124.db2.gz KYGOFRYYJJHNKG-SFHVURJKSA-N 0 0 468.579 2.824 40 0 JFABRN CNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)C1 ZINC000257260196 570126458 /nfs/dbraw/zinc/12/64/58/570126458.db2.gz LBSRCOVKCVWSKF-XMMPIXPASA-N 0 0 467.570 2.986 40 0 JFABRN CC(C)C(=O)N1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CCOCC3)C/C=C/C[C@@H]2C1 ZINC000257263112 570127298 /nfs/dbraw/zinc/12/72/98/570127298.db2.gz LOMCAUPFBZAQPO-KPNDMDOWSA-N 0 0 481.637 2.850 40 0 JFABRN CC(=O)N1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000257262988 570127321 /nfs/dbraw/zinc/12/73/21/570127321.db2.gz LNWNZDMLLDKCAE-LJQANCHMSA-N 0 0 461.444 2.719 40 0 JFABRN CCc1nccn1CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257268285 570129151 /nfs/dbraw/zinc/12/91/51/570129151.db2.gz MLABZWMXPDTLFG-RXVVDRJESA-N 0 0 474.989 2.644 40 0 JFABRN O=C(CN1CCOC[C@]2(CN(c3ccc(Cl)cc3)C(=O)O2)C1)NCCc1nc2ccccc2[nH]1 ZINC000257270702 570129907 /nfs/dbraw/zinc/12/99/07/570129907.db2.gz MVHVIBCIKVONLQ-XMMPIXPASA-N 0 0 483.956 2.603 40 0 JFABRN O=C(C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)c2ccccc2F)C1)N1CCOCC1 ZINC000257276814 570131698 /nfs/dbraw/zinc/13/16/98/570131698.db2.gz NVGCPDNLBKZDGN-DEOSSOPVSA-N 0 0 476.570 2.925 40 0 JFABRN CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)CCC(=O)N2CCNC(=O)C2(C)C)n1 ZINC000257277000 570131770 /nfs/dbraw/zinc/13/17/70/570131770.db2.gz NWAREGBFGVTFGB-LJQANCHMSA-N 0 0 466.586 2.571 40 0 JFABRN CN1CCN(C(=O)CC2(COc3ccccc3)CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000257279512 570132559 /nfs/dbraw/zinc/13/25/59/570132559.db2.gz OGYPJCVZVJBFMF-UHFFFAOYSA-N 0 0 489.613 2.840 40 0 JFABRN CCCn1c2ccc(NC(=O)CN3CCN(C(C)=O)[C@@H](c4ccc(OC)cc4)C3)cc2oc1=O ZINC000257284439 570133930 /nfs/dbraw/zinc/13/39/30/570133930.db2.gz PCSHYKMGRDKGJQ-JOCHJYFZSA-N 0 0 466.538 2.857 40 0 JFABRN Cc1cc(S(N)(=O)=O)ccc1OCC(=O)N1CC[C@@](O)(CC(C)C)[C@@H](Oc2ccc(F)cc2)C1 ZINC000257284720 570134041 /nfs/dbraw/zinc/13/40/41/570134041.db2.gz PDYVOXTUEKCBKT-LADGPHEKSA-N 0 0 494.585 2.617 40 0 JFABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)CCN2C(=O)CCNC2=O)n1 ZINC000257293835 570136683 /nfs/dbraw/zinc/13/66/83/570136683.db2.gz QRJAZIIZAMMVKF-LJQANCHMSA-N 0 0 468.533 2.734 40 0 JFABRN COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)c1 ZINC000409130223 570139773 /nfs/dbraw/zinc/13/97/73/570139773.db2.gz MEECQZLINVTQOW-XDHOZWIPSA-N 0 0 470.503 2.937 40 0 JFABRN COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2cccc(NC(=O)c3cnn(C)c3)c2)cc1 ZINC000257306727 570140436 /nfs/dbraw/zinc/14/04/36/570140436.db2.gz SVNOZLMVNLHLQT-QHCPKHFHSA-N 0 0 461.522 2.727 40 0 JFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)[C@H]3CCC(=O)NC(=O)N3)C2)n1 ZINC000257309526 570141254 /nfs/dbraw/zinc/14/12/54/570141254.db2.gz UBHBWCDZJYEYDA-MAUKXSAKSA-N 0 0 470.961 2.557 40 0 JFABRN CC(C)Cc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)n(C)n1 ZINC000257310296 570141618 /nfs/dbraw/zinc/14/16/18/570141618.db2.gz UENPOJAMJLBGJY-RDPSFJRHSA-N 0 0 468.598 2.777 40 0 JFABRN COc1ccccc1[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccn(C)n2)CCN1C(C)=O ZINC000257311297 570141830 /nfs/dbraw/zinc/14/18/30/570141830.db2.gz UIVBJWDDOWXHFN-JOCHJYFZSA-N 0 0 461.522 2.727 40 0 JFABRN CN1CCN(C(=O)c2ccccc2Cn2cccn2)C[C@@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000257314776 570142940 /nfs/dbraw/zinc/14/29/40/570142940.db2.gz UYKBALMISFEHMI-RUZDIDTESA-N 0 0 472.593 2.927 40 0 JFABRN CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H]2c2cncc(Cc3cccc(Cl)c3)n2)ccc1=O ZINC000257318843 570144136 /nfs/dbraw/zinc/14/41/36/570144136.db2.gz VPPQCTJAIHIWNV-JOCHJYFZSA-N 0 0 479.968 2.948 40 0 JFABRN C[C@H](c1ccccc1)N(C[C@@H]1C[C@H](O)[C@H](O)[C@H]1n1cnc2c1ncnc2N)C(=O)OC(C)(C)C ZINC000257322156 570145035 /nfs/dbraw/zinc/14/50/35/570145035.db2.gz WEULYSNGXQMQDN-GVJFSJSTSA-N 0 0 468.558 2.690 40 0 JFABRN CNC(=O)c1cnn2c1nccc2[C@@H]1CCN(C(=O)c2ccnc(Cc3ccccc3OC)c2)C1 ZINC000257324168 570145638 /nfs/dbraw/zinc/14/56/38/570145638.db2.gz WNMLRKOZEFXLQF-LJQANCHMSA-N 0 0 470.533 2.713 40 0 JFABRN CC(C)(NC(=O)Cc1ccccc1F)C(=O)N1CCOC[C@@H](Cc2cccc3n[nH]cc32)C1 ZINC000257326298 570146436 /nfs/dbraw/zinc/14/64/36/570146436.db2.gz WWRKKCYWQMGEFP-KRWDZBQOSA-N 0 0 452.530 2.857 40 0 JFABRN O=C(CCN1CCCC1=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1 ZINC000257333571 570148588 /nfs/dbraw/zinc/14/85/88/570148588.db2.gz YCDAHRCUMQBBKA-UHFFFAOYSA-N 0 0 492.016 2.589 40 0 JFABRN CC1(C)Oc2c(O)cccc2[C@H]2OC[C@@]3(C[C@@H]21)CN(CC(=O)N1CC(=O)Nc2ccccc21)CCO3 ZINC000257334156 570148878 /nfs/dbraw/zinc/14/88/78/570148878.db2.gz YETKMWOMOJNADM-WCTKDPGZSA-N 0 0 493.560 2.697 40 0 JFABRN O=C(C[C@H]1CN(C(=O)c2cnco2)CC[C@@H]1Oc1cccc(Br)c1)N1CCOCC1 ZINC000257334681 570148957 /nfs/dbraw/zinc/14/89/57/570148957.db2.gz YGYZXXGPNAEXHB-YJBOKZPZSA-N 0 0 478.343 2.596 40 0 JFABRN CN(C)Cc1nnnn1-c1cccc(C(=O)N2CCC[C@@H]2c2nc(Cc3ccc(F)cc3)n[nH]2)c1 ZINC000257335875 570149327 /nfs/dbraw/zinc/14/93/27/570149327.db2.gz YMGRHJIALZDAOR-HXUWFJFHSA-N 0 0 475.532 2.549 40 0 JFABRN O=C(c1cccc(OCCN2CCOCC2)c1)N1CCC[C@H](Cc2cn3ccnc3cn2)CC1 ZINC000257336367 570149457 /nfs/dbraw/zinc/14/94/57/570149457.db2.gz YOCGYDOYYZIHCT-NRFANRHFSA-N 0 0 463.582 2.925 40 0 JFABRN CCCc1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)no1 ZINC000257336980 570149602 /nfs/dbraw/zinc/14/96/02/570149602.db2.gz YQWSPLXGLGYFDQ-MBSDFSHPSA-N 0 0 472.561 2.840 40 0 JFABRN Cn1cnc(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)c1 ZINC000257338790 570149936 /nfs/dbraw/zinc/14/99/36/570149936.db2.gz YYZNDDCOZMCTJY-HSZRJFAPSA-N 0 0 460.962 2.624 40 0 JFABRN Cn1nccc1CCC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257342730 570151160 /nfs/dbraw/zinc/15/11/60/570151160.db2.gz ZPXDWAMJIUIMIV-AVRDEDQJSA-N 0 0 474.989 2.551 40 0 JFABRN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ncccc1C ZINC000409166202 570153389 /nfs/dbraw/zinc/15/33/89/570153389.db2.gz BZHUFAPOPSFHGO-UHFFFAOYSA-N 0 0 454.556 2.600 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C)c1 ZINC000260707353 570154703 /nfs/dbraw/zinc/15/47/03/570154703.db2.gz BUDCXWBHMIAMCZ-LJQANCHMSA-N 0 0 492.617 2.689 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260720436 570155206 /nfs/dbraw/zinc/15/52/06/570155206.db2.gz GUGWDWLROYUDNK-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000260746042 570156219 /nfs/dbraw/zinc/15/62/19/570156219.db2.gz QLWYZOUEENAEFT-IIBYNOLFSA-N 0 0 450.557 2.832 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)c1 ZINC000260752374 570156577 /nfs/dbraw/zinc/15/65/77/570156577.db2.gz YHNSYXSZJIUTIH-JOCHJYFZSA-N 0 0 468.531 2.977 40 0 JFABRN CCOCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000409176515 570157041 /nfs/dbraw/zinc/15/70/41/570157041.db2.gz PUIZHKMEMQHQLD-UHFFFAOYSA-N 0 0 454.520 2.581 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC3(c4ccccc4)CCOCC3)C2)cc1 ZINC000260770401 570157548 /nfs/dbraw/zinc/15/75/48/570157548.db2.gz SJIUACSCLIZFAZ-FQEVSTJZSA-N 0 0 472.607 2.961 40 0 JFABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2 ZINC000260771420 570157593 /nfs/dbraw/zinc/15/75/93/570157593.db2.gz WHIUTWFAWMDDSM-GOSISDBHSA-N 0 0 489.594 2.513 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C)c1 ZINC000260771441 570157665 /nfs/dbraw/zinc/15/76/65/570157665.db2.gz WIJCWZOFWFDQDT-LJQANCHMSA-N 0 0 492.617 2.689 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260779551 570157927 /nfs/dbraw/zinc/15/79/27/570157927.db2.gz ZJOLFJUBOGGFDU-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000260798442 570158498 /nfs/dbraw/zinc/15/84/98/570158498.db2.gz UBWCOLGILCVOSH-CWTRNNRKSA-N 0 0 454.932 2.762 40 0 JFABRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000260834465 570159769 /nfs/dbraw/zinc/15/97/69/570159769.db2.gz MDLJWQCMFKFNBA-CYBMUJFWSA-N 0 0 454.932 2.763 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOCc3ccccc3)Oc3ccccc32)cc1 ZINC000260844245 570160335 /nfs/dbraw/zinc/16/03/35/570160335.db2.gz IJNYNRKQSZBGPD-XMMPIXPASA-N 0 0 482.558 2.985 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260863118 570161125 /nfs/dbraw/zinc/16/11/25/570161125.db2.gz WALBNOSSDBDHAI-JOCHJYFZSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000260860935 570161131 /nfs/dbraw/zinc/16/11/31/570161131.db2.gz BDSSPGBSYLIDHO-MSOLQXFVSA-N 0 0 463.575 2.924 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C ZINC000260860928 570161166 /nfs/dbraw/zinc/16/11/66/570161166.db2.gz BDDQLDCFIZZJJC-HXUWFJFHSA-N 0 0 459.612 2.951 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260860693 570161170 /nfs/dbraw/zinc/16/11/70/570161170.db2.gz QSFPETVOHOWESR-MRXNPFEDSA-N 0 0 466.003 2.832 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260877961 570161417 /nfs/dbraw/zinc/16/14/17/570161417.db2.gz HNCGKJATBWHWLL-OAQYLSRUSA-N 0 0 473.639 2.848 40 0 JFABRN Cc1ccc(N([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000260885902 570161568 /nfs/dbraw/zinc/16/15/68/570161568.db2.gz AGJCNZNZXSXAGM-GOSISDBHSA-N 0 0 480.030 2.952 40 0 JFABRN CN(c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1)S(C)(=O)=O ZINC000260890457 570161915 /nfs/dbraw/zinc/16/19/15/570161915.db2.gz DIEZCNAKBKPECY-HNNXBMFYSA-N 0 0 486.015 2.775 40 0 JFABRN COc1ccc(OC)c(N([C@H](C)C(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000260890560 570161925 /nfs/dbraw/zinc/16/19/25/570161925.db2.gz PMCAVBSPFLDGBS-QGZVFWFLSA-N 0 0 450.557 2.670 40 0 JFABRN Cc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260890740 570161951 /nfs/dbraw/zinc/16/19/51/570161951.db2.gz LKNSSLXINKLEJT-HXUWFJFHSA-N 0 0 459.612 2.951 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000260896251 570162305 /nfs/dbraw/zinc/16/23/05/570162305.db2.gz MPIJBRZXLLMNMR-MOPGFXCFSA-N 0 0 475.611 2.793 40 0 JFABRN COc1ccc(N(CCCC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1Cl ZINC000260895301 570162334 /nfs/dbraw/zinc/16/23/34/570162334.db2.gz HREMVUPKAVCKAD-INIZCTEOSA-N 0 0 468.959 2.851 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)c2ccccc2OC)cc1 ZINC000260899397 570162589 /nfs/dbraw/zinc/16/25/89/570162589.db2.gz LAKDDFDLTSTNBQ-IBGZPJMESA-N 0 0 498.557 2.855 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)C2)cc1 ZINC000260903819 570163056 /nfs/dbraw/zinc/16/30/56/570163056.db2.gz QLCPMPLHNUDHIX-PMACEKPBSA-N 0 0 485.606 2.943 40 0 JFABRN CCc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000260912167 570163401 /nfs/dbraw/zinc/16/34/01/570163401.db2.gz AKQZUONNTJKCDB-JKSUJKDBSA-N 0 0 452.598 2.684 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1Cl ZINC000260930928 570165003 /nfs/dbraw/zinc/16/50/03/570165003.db2.gz LGNFGSPDNBLFCX-KGLIPLIRSA-N 0 0 489.015 2.784 40 0 JFABRN CC[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000260932798 570165147 /nfs/dbraw/zinc/16/51/47/570165147.db2.gz MZRLTSLZVWZHLP-OXQOHEQNSA-N 0 0 452.598 2.821 40 0 JFABRN CCOc1ccc(N([C@H](CC)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000260937198 570165383 /nfs/dbraw/zinc/16/53/83/570165383.db2.gz PNLXVINUXSCWEP-IIBYNOLFSA-N 0 0 482.624 2.911 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000260996746 570166541 /nfs/dbraw/zinc/16/65/41/570166541.db2.gz QWQOJHYBNWVVNB-RTWAWAEBSA-N 0 0 488.654 2.940 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000261009221 570166798 /nfs/dbraw/zinc/16/67/98/570166798.db2.gz TWGBLJQPFLRTCH-PMACEKPBSA-N 0 0 489.638 2.956 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000261024844 570166883 /nfs/dbraw/zinc/16/68/83/570166883.db2.gz WLVPHLALMGDPCA-MOPGFXCFSA-N 0 0 477.602 2.966 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000261059195 570167158 /nfs/dbraw/zinc/16/71/58/570167158.db2.gz NKSGNUTZARCIED-QGZVFWFLSA-N 0 0 493.601 2.932 40 0 JFABRN COc1cc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(OC)c1OC ZINC000261363416 570167945 /nfs/dbraw/zinc/16/79/45/570167945.db2.gz RUEJCLLIVWEYJB-OAQYLSRUSA-O 0 0 455.516 2.798 40 0 JFABRN COc1cc(OC)c([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc1OC ZINC000261364292 570168409 /nfs/dbraw/zinc/16/84/09/570168409.db2.gz KMQCAMNOZQDKTA-NRFANRHFSA-O 0 0 455.516 2.798 40 0 JFABRN CCCN1C(=O)N/C(=C/c2cc(I)cc(I)c2O)C1=O ZINC000409220995 570174310 /nfs/dbraw/zinc/17/43/10/570174310.db2.gz JACYWXMFJAJJQX-BJMVGYQFSA-N 0 0 498.058 2.904 40 0 JFABRN O=C(CN1C(=O)S/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O)Nc1ccccc1F ZINC000409225838 570175956 /nfs/dbraw/zinc/17/59/56/570175956.db2.gz MADSPLCBTLPEFG-MOSHPQCFSA-N 0 0 499.520 2.738 40 0 JFABRN CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2CC)C1=O ZINC000409236465 570180046 /nfs/dbraw/zinc/18/00/46/570180046.db2.gz GSHJOPHIEFEJDW-CPNJWEJPSA-N 0 0 451.479 2.722 40 0 JFABRN COC(=O)c1ccc(OC)c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCO)n2)c1 ZINC000328974284 570180161 /nfs/dbraw/zinc/18/01/61/570180161.db2.gz FFCSJXAVWBVCTJ-UHFFFAOYSA-N 0 0 478.427 2.829 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1 ZINC000409250553 570185684 /nfs/dbraw/zinc/18/56/84/570185684.db2.gz RALIIXCDLQAFFZ-UHFFFAOYSA-N 0 0 472.607 2.942 40 0 JFABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000409268169 570188850 /nfs/dbraw/zinc/18/88/50/570188850.db2.gz QYXNJHSQEKQXTC-UHFFFAOYSA-N 0 0 468.373 2.994 40 0 JFABRN NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cc1 ZINC000408534030 570189375 /nfs/dbraw/zinc/18/93/75/570189375.db2.gz SBGNVTHSJKPECF-UHFFFAOYSA-N 0 0 451.932 2.631 40 0 JFABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c(I)c2)C1=O ZINC000408549475 570194648 /nfs/dbraw/zinc/19/46/48/570194648.db2.gz UFWOREMSZNNBOP-MHWRWJLKSA-N 0 0 492.269 2.936 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCc1ccc2c(c1)OCO2 ZINC000408555611 570196991 /nfs/dbraw/zinc/19/69/91/570196991.db2.gz GOOAAHUWIWVXAL-UHFFFAOYSA-N 0 0 466.515 2.862 40 0 JFABRN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c(OC)c1 ZINC000408556847 570197852 /nfs/dbraw/zinc/19/78/52/570197852.db2.gz DVFYZTRRPYYWIC-OAHLLOKOSA-N 0 0 464.540 2.760 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000408557694 570198449 /nfs/dbraw/zinc/19/84/49/570198449.db2.gz HJZUIHQYMGQUDX-UHFFFAOYSA-N 0 0 475.586 2.974 40 0 JFABRN CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000409319742 570200872 /nfs/dbraw/zinc/20/08/72/570200872.db2.gz LFAFFWBZVQGROA-QGZVFWFLSA-N 0 0 495.623 2.663 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000408561255 570200943 /nfs/dbraw/zinc/20/09/43/570200943.db2.gz RNUCMIUHJHFURN-GOSISDBHSA-N 0 0 491.585 2.592 40 0 JFABRN CN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000408561661 570201307 /nfs/dbraw/zinc/20/13/07/570201307.db2.gz USXKKPZOIQMXTA-UHFFFAOYSA-N 0 0 457.474 2.659 40 0 JFABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000409326743 570202307 /nfs/dbraw/zinc/20/23/07/570202307.db2.gz NMFSMOPNWLHIAU-UHFFFAOYSA-N 0 0 468.373 2.994 40 0 JFABRN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000408584938 570207771 /nfs/dbraw/zinc/20/77/71/570207771.db2.gz WVVKDFYFZGLKGV-UHFFFAOYSA-N 0 0 452.558 2.543 40 0 JFABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC ZINC000408585028 570207812 /nfs/dbraw/zinc/20/78/12/570207812.db2.gz AUQCTRVGWSKFTE-UHFFFAOYSA-N 0 0 466.468 2.638 40 0 JFABRN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl ZINC000408589170 570208708 /nfs/dbraw/zinc/20/87/08/570208708.db2.gz DUKQNYRVUKWISZ-KRWDZBQOSA-N 0 0 466.987 2.877 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCCCn1ccnc1 ZINC000408592313 570209458 /nfs/dbraw/zinc/20/94/58/570209458.db2.gz LAXIHDLCSFMLMV-UHFFFAOYSA-N 0 0 462.959 2.600 40 0 JFABRN C[C@@H](Oc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1)C(=O)N1CCOCC1 ZINC000408593158 570209710 /nfs/dbraw/zinc/20/97/10/570209710.db2.gz LSPFNTCVBLIWBB-CQSZACIVSA-N 0 0 469.357 2.876 40 0 JFABRN COc1ccc(CNC(=O)[C@@H](C)[C@H]2CC[C@@]3(C)CC[C@H](NS(C)(=O)=O)[C@@H](C)[C@@H]3[C@H]2O)cc1 ZINC000030884229 291487130 /nfs/dbraw/zinc/48/71/30/291487130.db2.gz DIUGRXZSJCSFTC-HAMSKGLDSA-N 0 0 466.644 2.689 40 0 biogenic,in-vitro JFABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc43)cc2c1 ZINC000000893261 193953308 /nfs/dbraw/zinc/95/33/08/193953308.db2.gz SCFMERLVFXLPGK-CVDCTZTESA-N 0 0 458.522 2.854 40 0 JFABRN COC(=O)c1ccccc1NC(=S)N(CCO)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000000895343 193953748 /nfs/dbraw/zinc/95/37/48/193953748.db2.gz XRACHOVBQCNUPK-UHFFFAOYSA-N 0 0 471.535 2.523 40 0 JFABRN COc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000000933230 193984502 /nfs/dbraw/zinc/98/45/02/193984502.db2.gz MKPGPWSZADCRGR-UHFFFAOYSA-N 0 0 475.592 2.732 40 0 JFABRN O=C(Cn1nnc2ccccc2c1=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 ZINC000001238241 194078591 /nfs/dbraw/zinc/07/85/91/194078591.db2.gz IIMOGXOBMGIDRO-UHFFFAOYSA-N 0 0 472.530 2.853 40 0 JFABRN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000001222977 194075004 /nfs/dbraw/zinc/07/50/04/194075004.db2.gz VFXSFGBUHOOBQZ-HNNXBMFYSA-N 0 0 493.564 2.691 40 0 JFABRN CC(C)(C)c1ccc(S(=O)(=O)N(CCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000001329257 194088698 /nfs/dbraw/zinc/08/86/98/194088698.db2.gz IXQWDOFDIIJIMI-UHFFFAOYSA-N 0 0 472.563 2.780 40 0 JFABRN COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)CC2)cc1 ZINC000001324669 194085860 /nfs/dbraw/zinc/08/58/60/194085860.db2.gz QZGGLOQFUJKHAE-UHFFFAOYSA-N 0 0 458.522 2.900 40 0 JFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000001325566 194086524 /nfs/dbraw/zinc/08/65/24/194086524.db2.gz MNCAIVXPEWBRNL-MRXNPFEDSA-N 0 0 494.664 2.884 40 0 JFABRN O=C(Cn1c2ccccc2n2c(SCC(=O)N3CCc4ccccc4C3)nnc12)N1CCCC1 ZINC000001325771 194086812 /nfs/dbraw/zinc/08/68/12/194086812.db2.gz RBPGLATWPHFENR-UHFFFAOYSA-N 0 0 474.590 2.983 40 0 JFABRN Cc1cc(C)c2cc(CN(C[C@H]3COCCO3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001335297 194094028 /nfs/dbraw/zinc/09/40/28/194094028.db2.gz DDHOHUHWMHDBSG-IBGZPJMESA-N 0 0 460.527 2.890 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000001351299 194099592 /nfs/dbraw/zinc/09/95/92/194099592.db2.gz SGISEKIBEATKHZ-UHFFFAOYSA-N 0 0 494.664 2.838 40 0 JFABRN COc1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)C2)c(OC)c1 ZINC000001334149 194092942 /nfs/dbraw/zinc/09/29/42/194092942.db2.gz NXVJWSANKSYSGH-GOSISDBHSA-N 0 0 488.548 2.908 40 0 JFABRN O=C(c1ccc(F)cc1F)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)C1 ZINC000001334880 194093262 /nfs/dbraw/zinc/09/32/62/194093262.db2.gz YGVFEVHOAYIXCD-HNNXBMFYSA-N 0 0 450.449 2.861 40 0 JFABRN O=C(Nc1cccc2c1CCCC2)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001365382 194103708 /nfs/dbraw/zinc/10/37/08/194103708.db2.gz XWPGJFDQQVSHJV-GOSISDBHSA-N 0 0 466.567 2.581 40 0 JFABRN CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1 ZINC000001365437 194103728 /nfs/dbraw/zinc/10/37/28/194103728.db2.gz MZLNIOJZLXRMDV-SFHVURJKSA-N 0 0 454.556 2.825 40 0 JFABRN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1 ZINC000001365438 194103771 /nfs/dbraw/zinc/10/37/71/194103771.db2.gz MZLNIOJZLXRMDV-GOSISDBHSA-N 0 0 454.556 2.825 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCCC1)C[C@@H]1CCCO1)OCCO3 ZINC000001373792 194107571 /nfs/dbraw/zinc/10/75/71/194107571.db2.gz OGCMFFNRUPIXBT-FQEVSTJZSA-N 0 0 480.569 2.972 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C[C@H]1CCCO1)C1CCCCC1)OCCO3 ZINC000001373829 194107928 /nfs/dbraw/zinc/10/79/28/194107928.db2.gz ARQOKKPBGCYNQJ-HXUWFJFHSA-N 0 0 480.569 2.800 40 0 JFABRN COc1ccccc1C(=O)N1CCC(c2nc3c(nnn3Cc3cccc(F)c3)c(=O)[nH]2)CC1 ZINC000001355265 194100939 /nfs/dbraw/zinc/10/09/39/194100939.db2.gz REZAQKZLIBESCU-UHFFFAOYSA-N 0 0 462.485 2.730 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCCC1)C[C@H]1CCCO1)OCO3 ZINC000001375718 194110394 /nfs/dbraw/zinc/11/03/94/194110394.db2.gz JDXBOXYWSBEGHK-LJQANCHMSA-N 0 0 466.542 2.930 40 0 JFABRN O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)cc1 ZINC000001380517 194112860 /nfs/dbraw/zinc/11/28/60/194112860.db2.gz XSZMWVRDCUEQQL-UHFFFAOYSA-N 0 0 489.623 2.678 40 0 JFABRN O=C(CNC(=O)c1ccc(Br)cc1)NCC(=O)OCC(=O)c1cccc2ccccc21 ZINC000001838835 194149225 /nfs/dbraw/zinc/14/92/25/194149225.db2.gz VZUFESNXYQHRSM-UHFFFAOYSA-N 0 0 483.318 2.874 40 0 JFABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003672328 194358810 /nfs/dbraw/zinc/35/88/10/194358810.db2.gz PTBUZXPLOKMVIB-UHFFFAOYSA-N 0 0 480.564 2.709 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=S)Nc4ccccc4)CO[C@H]23)c1 ZINC000003841736 194363896 /nfs/dbraw/zinc/36/38/96/194363896.db2.gz XTGVDSBEUIIQOT-MTQWCTHYSA-N 0 0 471.535 2.933 40 0 biogenic,in-vitro JFABRN CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCO2 ZINC000004092244 194376927 /nfs/dbraw/zinc/37/69/27/194376927.db2.gz YJDBMFFLQVBFGK-JOCHJYFZSA-N 0 0 478.505 2.822 40 0 JFABRN O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)CO[C@H]12 ZINC000004222823 194385391 /nfs/dbraw/zinc/38/53/91/194385391.db2.gz FQJDELUCLUMYSZ-DXBBTUNJSA-N 0 0 454.504 2.902 40 0 biogenic,in-vitro JFABRN COc1ccc(C(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000004236284 194385442 /nfs/dbraw/zinc/38/54/42/194385442.db2.gz DRZHFABPJLBFGB-PKOBYXMFSA-N 0 0 479.558 2.917 40 0 biogenic,in-vitro JFABRN COCCNC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000004388459 194388612 /nfs/dbraw/zinc/38/86/12/194388612.db2.gz FCGNQPSGPINOTJ-XMMPIXPASA-N 0 0 461.522 2.865 40 0 JFABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 ZINC000004388336 194388645 /nfs/dbraw/zinc/38/86/45/194388645.db2.gz GJZPFTLXOCJIGD-UHFFFAOYSA-N 0 0 461.525 2.977 40 0 JFABRN Cc1ccc2cc(CN(CCO)S(=O)(=O)c3c4nsnc4ccc3C)c(=O)[nH]c2c1C ZINC000006410198 194425726 /nfs/dbraw/zinc/42/57/26/194425726.db2.gz MOFNKLKEBFKYFV-UHFFFAOYSA-N 0 0 458.565 2.641 40 0 JFABRN CCC[C@@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 ZINC000006501192 194429454 /nfs/dbraw/zinc/42/94/54/194429454.db2.gz VPSDLBPPIZTQJT-INIZCTEOSA-N 0 0 461.588 2.811 40 0 JFABRN CCC[C@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC ZINC000006501498 194429769 /nfs/dbraw/zinc/42/97/69/194429769.db2.gz UFJGFMNEFLNWLG-MRXNPFEDSA-N 0 0 491.614 2.819 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006632147 194434303 /nfs/dbraw/zinc/43/43/03/194434303.db2.gz QKVTXNCCRWDNBY-LJQANCHMSA-N 0 0 496.543 2.930 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(C[C@H]1CCCO1)S(=O)(=O)c1ccccc1)OCCO3 ZINC000008649074 194472832 /nfs/dbraw/zinc/47/28/32/194472832.db2.gz VMGMGPVPZKBODE-GOSISDBHSA-N 0 0 456.520 2.669 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCc1ccccc1)Cc1ccc2c(c1)OCO2)Nc1ccccn1 ZINC000008994728 194499354 /nfs/dbraw/zinc/49/93/54/194499354.db2.gz DASZPPJZGBZAPM-UHFFFAOYSA-N 0 0 474.517 2.874 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000008995169 194500166 /nfs/dbraw/zinc/50/01/66/194500166.db2.gz BMNPNEDMLOURCN-UHFFFAOYSA-N 0 0 490.516 2.887 40 0 JFABRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2OCCc3ccccc32)cc1 ZINC000012637378 195068506 /nfs/dbraw/zinc/06/85/06/195068506.db2.gz DGSGBNHKMZXCHL-VGSWGCGISA-N 0 0 464.609 2.842 40 0 JFABRN O=C(NC1CCCC1)C(=O)N(c1ccccc1F)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccco1 ZINC000012640900 195070378 /nfs/dbraw/zinc/07/03/78/195070378.db2.gz WVGLQOXBIPGWJD-DYESRHJHSA-N 0 0 457.502 2.847 40 0 JFABRN O=C(NC1CCCC1)C(=O)N(Cc1ccco1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000012640859 195070514 /nfs/dbraw/zinc/07/05/14/195070514.db2.gz PZZPLVXZBLGQCZ-IRLDBZIGSA-N 0 0 453.539 2.704 40 0 JFABRN O=C(NC1CCCCC1)C(=O)N(C[C@H]1CCCO1)[C@@H](C(=O)NCc1ccco1)c1ccco1 ZINC000012641363 195070952 /nfs/dbraw/zinc/07/09/52/195070952.db2.gz YORKSPJQSWYEEG-TZIWHRDSSA-N 0 0 457.527 2.687 40 0 JFABRN O=C(NC1CCCCC1)C(=O)N(C[C@@H]1CCCO1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1F ZINC000012641390 195071171 /nfs/dbraw/zinc/07/11/71/195071171.db2.gz LSFUSDITIMIMKV-JTAQYXEDSA-N 0 0 489.588 2.619 40 0 JFABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000012701627 195091632 /nfs/dbraw/zinc/09/16/32/195091632.db2.gz MWJKMWOHYOUUAJ-INIZCTEOSA-N 0 0 466.517 2.968 40 0 JFABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000012701631 195091645 /nfs/dbraw/zinc/09/16/45/195091645.db2.gz MWJKMWOHYOUUAJ-MRXNPFEDSA-N 0 0 466.517 2.968 40 0 JFABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000012703301 195091900 /nfs/dbraw/zinc/09/19/00/195091900.db2.gz MOELCGUYPFGWQU-LJQANCHMSA-N 0 0 467.551 2.860 40 0 JFABRN NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)c1N ZINC000012704935 195092357 /nfs/dbraw/zinc/09/23/57/195092357.db2.gz IUNWEUFEARRVEF-UHFFFAOYSA-N 0 0 469.489 2.939 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000012708691 195093876 /nfs/dbraw/zinc/09/38/76/195093876.db2.gz YJWNMCAMQTTZML-FTDQSSOUSA-N 0 0 461.559 2.849 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1F ZINC000012708918 195093964 /nfs/dbraw/zinc/09/39/64/195093964.db2.gz MJSKOPZZJSOIHF-CAROCFPZSA-N 0 0 479.549 2.988 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1 ZINC000012716371 195097172 /nfs/dbraw/zinc/09/71/72/195097172.db2.gz BLAWEQSJRGBSQF-OXJNMPFZSA-N 0 0 486.598 2.967 40 0 JFABRN COc1cc(OC)c(C2=NO[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1Cl ZINC000012848118 195153122 /nfs/dbraw/zinc/15/31/22/195153122.db2.gz JZGFZMIWTZALCU-QHCPKHFHSA-N 0 0 487.940 2.923 40 0 JFABRN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 ZINC000012891324 195173098 /nfs/dbraw/zinc/17/30/98/195173098.db2.gz RFWKHZIFANURJB-GJGGBTFWSA-N 0 0 471.513 2.902 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020802419 195227384 /nfs/dbraw/zinc/22/73/84/195227384.db2.gz IUNFUUPAJJPORP-LEWJYISDSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc(OC)c1OC ZINC000020802439 195227434 /nfs/dbraw/zinc/22/74/34/195227434.db2.gz URBMYRSNFSLSQT-WOJBJXKFSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000020802118 195227454 /nfs/dbraw/zinc/22/74/54/195227454.db2.gz RPWOBJOJAVJXAC-SFTDATJTSA-N 0 0 483.521 2.824 40 0 JFABRN CCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000020768638 195223483 /nfs/dbraw/zinc/22/34/83/195223483.db2.gz YLKGCMWLZWMXHK-UHFFFAOYSA-N 0 0 481.596 2.908 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2cc3cc(CC)ccc3[nH]c2=O)CC1 ZINC000057589560 195351388 /nfs/dbraw/zinc/35/13/88/195351388.db2.gz ZOKDSRGHKXUCPK-NZQKXSOJSA-N 0 0 494.596 2.621 40 0 JFABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)cc2c1 ZINC000057589804 195351731 /nfs/dbraw/zinc/35/17/31/195351731.db2.gz GWUBDFZOYBQYID-HSZRJFAPSA-N 0 0 462.529 2.865 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)c(C)cc3[nH]c2=O)N2CCC(O)CC2)cc1 ZINC000057589934 195351755 /nfs/dbraw/zinc/35/17/55/195351755.db2.gz YIVGQPDERKMNGF-XMMPIXPASA-N 0 0 474.565 2.734 40 0 JFABRN COc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CCC(O)CC3)c(=O)[nH]c2cc1OC ZINC000057594957 195352362 /nfs/dbraw/zinc/35/23/62/195352362.db2.gz DWMQIXPWPMCOCI-JOCHJYFZSA-N 0 0 468.558 2.583 40 0 JFABRN Cc1cccc2cc(CN(Cc3nnnn3C[C@@H]3CCCO3)Cc3ccc4c(c3)OCO4)c(=O)[nH]c12 ZINC000057607253 195352634 /nfs/dbraw/zinc/35/26/34/195352634.db2.gz SZXFFAZTISHYLG-NRFANRHFSA-N 0 0 488.548 2.933 40 0 JFABRN Cc1ccc2cc(CN(Cc3nnnn3C[C@H]3CCCO3)Cc3ccc4c(c3)OCO4)c(=O)[nH]c2c1 ZINC000057607190 195352719 /nfs/dbraw/zinc/35/27/19/195352719.db2.gz DGHLSKQUZKPGFV-OAQYLSRUSA-N 0 0 488.548 2.933 40 0 JFABRN COc1cc2cc(CN(Cc3nnnn3C[C@@H]3CCCO3)Cc3ccccc3)c(=O)[nH]c2cc1OC ZINC000057640369 195353913 /nfs/dbraw/zinc/35/39/13/195353913.db2.gz WSFYINNQQYFMCQ-NRFANRHFSA-N 0 0 490.564 2.913 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CNc1ccc(N2CCN(c4ncccn4)CC2)cc1)OCO3 ZINC000057712597 195358097 /nfs/dbraw/zinc/35/80/97/195358097.db2.gz RMCVMJXKTFZCOT-UHFFFAOYSA-N 0 0 456.506 2.986 40 0 JFABRN CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)CCn1c2ccccc2oc1=O ZINC000057730812 195358964 /nfs/dbraw/zinc/35/89/64/195358964.db2.gz HWMYDVYVTNBDSQ-GOSISDBHSA-N 0 0 462.506 2.812 40 0 JFABRN COc1ccc(NC(=O)Cn2nc3n(c2=O)c2ccccc2c(=O)n3Cc2ccccc2)cc1OC ZINC000064580742 195445219 /nfs/dbraw/zinc/44/52/19/195445219.db2.gz ILVZQSRUTFBAIT-UHFFFAOYSA-N 0 0 485.500 2.515 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000059306138 195397235 /nfs/dbraw/zinc/39/72/35/195397235.db2.gz PCJKULMAJHZEKP-ZRELAVNMSA-N 0 0 482.533 2.955 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224858753 195468923 /nfs/dbraw/zinc/46/89/23/195468923.db2.gz JEJOTDMAZGQZCV-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1OC ZINC000103513408 130640080 /nfs/dbraw/zinc/64/00/80/130640080.db2.gz KQHPQMMPALRFHS-DBOLQNLKSA-N 0 0 465.893 2.954 40 0 JFABRN CC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C[C@H]2COCCO2)c1 ZINC000013499219 518458991 /nfs/dbraw/zinc/45/89/91/518458991.db2.gz YAAOXZNVMNWXML-QFIPXVFZSA-N 0 0 484.574 2.954 40 0 JFABRN CC(C)CCNC(=O)[C@H](C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)c(Cl)c1 ZINC000006134353 519659972 /nfs/dbraw/zinc/65/99/72/519659972.db2.gz WIFQPQQUCYTOJO-JTQLQIEISA-N 0 0 455.943 2.814 40 0 JFABRN CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013565712 519699129 /nfs/dbraw/zinc/69/91/29/519699129.db2.gz DEDLXTIDNDLOQJ-RUZDIDTESA-N 0 0 497.592 2.996 40 0 JFABRN CC(=O)N[C@H]1[C@@H](OC(=N)C(Cl)(Cl)Cl)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1OC(C)=O ZINC000044699347 519701317 /nfs/dbraw/zinc/70/13/17/519701317.db2.gz BITIXZADLMPSAR-RGGMIXCSSA-N 0 0 495.743 2.626 40 0 in-vitro JFABRN CC(C)NC(=O)CCn1c2nnc(SCC(=O)NCc3ccc(F)cc3)n2c2ccccc2c1=O ZINC000033292027 519704601 /nfs/dbraw/zinc/70/46/01/519704601.db2.gz KUUHDIAWVPKGIA-UHFFFAOYSA-N 0 0 496.568 2.507 40 0 JFABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038855189 519742276 /nfs/dbraw/zinc/74/22/76/519742276.db2.gz KGFWGENAPCJZSW-LJQANCHMSA-N 0 0 465.959 2.892 40 0 JFABRN CC(C)[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013503102 519788899 /nfs/dbraw/zinc/78/88/99/519788899.db2.gz BLSVFQVHOCDGKK-FQEVSTJZSA-N 0 0 467.563 2.665 40 0 JFABRN CC(C)n1c(=O)c2cc3c(cc2nc1N1CCN(C(=O)c2ccccc2F)CC1)OCCO3 ZINC000028555815 519919061 /nfs/dbraw/zinc/91/90/61/519919061.db2.gz DMGBWCYIARVZNR-UHFFFAOYSA-N 0 0 452.486 2.850 40 0 JFABRN CCN(CC(=O)N1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000016678358 520314831 /nfs/dbraw/zinc/31/48/31/520314831.db2.gz RNJJZKVJUPVIPW-UHFFFAOYSA-N 0 0 496.427 2.817 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000033409615 520481007 /nfs/dbraw/zinc/48/10/07/520481007.db2.gz NQHQRDFLGWCIIU-UBXANZILSA-N 0 0 480.542 2.521 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000033406085 520486409 /nfs/dbraw/zinc/48/64/09/520486409.db2.gz XNNICRFUICUXQO-PZDOZLBDSA-N 0 0 480.542 2.521 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000033714557 520486518 /nfs/dbraw/zinc/48/65/18/520486518.db2.gz ATGYQJHVMZBKLR-FGGAIWKESA-N 0 0 463.559 2.981 40 0 JFABRN CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N3)CC1 ZINC000038828276 520587875 /nfs/dbraw/zinc/58/78/75/520587875.db2.gz BQCXMAAUOCAFLG-HNNXBMFYSA-N 0 0 487.944 2.576 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000016638974 520722516 /nfs/dbraw/zinc/72/25/16/520722516.db2.gz HDADFROFFUQCIC-UHFFFAOYSA-N 0 0 464.540 2.920 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000016639032 520722631 /nfs/dbraw/zinc/72/26/31/520722631.db2.gz LCUWUUPRRNEWAC-UHFFFAOYSA-N 0 0 476.551 2.682 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3nccs3)o2)cc1 ZINC000006512072 520786982 /nfs/dbraw/zinc/78/69/82/520786982.db2.gz XWGBIJHOWGGEOC-UHFFFAOYSA-N 0 0 453.571 2.954 40 0 JFABRN CCC[C@]1(C(=O)OC)N[C@@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000019501975 521304216 /nfs/dbraw/zinc/30/42/16/521304216.db2.gz FRBXZKHVONDOQG-YGWSKSRPSA-N 0 0 496.516 2.595 40 0 JFABRN CCC(C)(C)NC(=O)[C@H](C(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502741 521338765 /nfs/dbraw/zinc/33/87/65/521338765.db2.gz VFUNORHDHAXCJN-NRFANRHFSA-N 0 0 463.600 2.916 40 0 JFABRN CCOC(=O)c1cc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)ccc1Cl ZINC000020453967 521439448 /nfs/dbraw/zinc/43/94/48/521439448.db2.gz OAOTULNDMARNEI-UHFFFAOYSA-N 0 0 454.932 2.926 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c(Cl)c1 ZINC000022518376 521495065 /nfs/dbraw/zinc/49/50/65/521495065.db2.gz ISWGPMCIBAQQFD-UHFFFAOYSA-N 0 0 470.931 2.939 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1Cl ZINC000044900442 521495251 /nfs/dbraw/zinc/49/52/51/521495251.db2.gz RGIJJAXCVQBERA-UHFFFAOYSA-N 0 0 470.931 2.939 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(Cl)c1 ZINC000020044911 521495258 /nfs/dbraw/zinc/49/52/58/521495258.db2.gz YDNAXQYSOWEWPR-UHFFFAOYSA-N 0 0 468.915 2.693 40 0 JFABRN COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3ccc(S(C)(=O)=O)cc3)n2)c1 ZINC000035425145 521749295 /nfs/dbraw/zinc/74/92/95/521749295.db2.gz VQGBQVSZYRANKR-FQEVSTJZSA-N 0 0 458.540 2.897 40 0 biogenic,in-vitro JFABRN COc1c2c(c(C)c3c1C[C@@H]1[C@@](C)(C[C@H](O)[C@@]45O[C@@](O)(CC[C@]14C)OC5(C)C)O3)COC2=O ZINC000035465357 521882892 /nfs/dbraw/zinc/88/28/92/521882892.db2.gz ZFKOTULZHLMUJE-GDKDECMWSA-N 0 0 460.523 2.759 40 0 biogenic,in-vitro JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000016194833 521899861 /nfs/dbraw/zinc/89/98/61/521899861.db2.gz AOJQKSKIUQZRQE-UHFFFAOYSA-N 0 0 492.550 2.729 40 0 JFABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000020490902 522049008 /nfs/dbraw/zinc/04/90/08/522049008.db2.gz IJJRCGQXLXQXAY-UHFFFAOYSA-N 0 0 461.521 2.611 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)NCc3ccc(C)cc3)nnc1n(C)c2=O ZINC000033256774 522220388 /nfs/dbraw/zinc/22/03/88/522220388.db2.gz FVBVTWZLNIRTDN-MRXNPFEDSA-N 0 0 492.605 2.826 40 0 JFABRN CC[C@@H](C)[C@@H](NC(=O)[C@H]1N=C(c2csc([C@H](O)Cc3ccccc3)n2)O[C@H]1C)C(=O)OC ZINC000008652756 522310500 /nfs/dbraw/zinc/31/05/00/522310500.db2.gz YHXNIADCBNGDJB-CTMNZFAUSA-N 0 0 459.568 2.657 40 0 JFABRN COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccc3OC)[C@H](O)[C@H]2[C@@H]1C ZINC000020466810 522776758 /nfs/dbraw/zinc/77/67/58/522776758.db2.gz OGFNJWXRYGCTBO-LKKVRRHTSA-N 0 0 460.615 2.902 40 0 biogenic,in-vitro JFABRN COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccc(OC)cc3)[C@H](O)[C@H]2[C@@H]1C ZINC000020466805 522777435 /nfs/dbraw/zinc/77/74/35/522777435.db2.gz YIRUXQBCIGESNW-JQARJTFOSA-N 0 0 460.615 2.902 40 0 biogenic,in-vitro JFABRN COC(=O)C1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)CC1 ZINC000013671732 522906957 /nfs/dbraw/zinc/90/69/57/522906957.db2.gz PFQATPZENWWTLW-UHFFFAOYSA-N 0 0 480.970 2.956 40 0 JFABRN CC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000019500658 523130521 /nfs/dbraw/zinc/13/05/21/523130521.db2.gz VWWRJGPIUDZUMN-QFIPXVFZSA-N 0 0 454.600 2.682 40 0 JFABRN COCc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=O)c1CCc1ccccc1 ZINC000022448730 523212087 /nfs/dbraw/zinc/21/20/87/523212087.db2.gz VOCLDJUBVABJLP-UHFFFAOYSA-N 0 0 462.550 2.752 40 0 JFABRN COc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1S(=O)(=O)N(C)C ZINC000016163204 523650520 /nfs/dbraw/zinc/65/05/20/523650520.db2.gz IQJXKRHRQMSBNA-UHFFFAOYSA-N 0 0 471.501 2.927 40 0 JFABRN COc1ccc(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3cccc(F)c3)n2)cc1 ZINC000005440134 523739242 /nfs/dbraw/zinc/73/92/42/523739242.db2.gz CKGLWSGLNCEWMH-FNAHDJPLSA-N 0 0 450.470 2.668 40 0 biogenic,in-vitro JFABRN COc1ccc(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccc(OC)cc3)n2)cc1 ZINC000005412133 523739333 /nfs/dbraw/zinc/73/93/33/523739333.db2.gz RVVUJXHIDODTSU-MYDTUXCISA-N 0 0 462.506 2.538 40 0 biogenic,in-vitro JFABRN COc1ccc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1S(=O)(=O)NC(C)C ZINC000033103474 523749460 /nfs/dbraw/zinc/74/94/60/523749460.db2.gz USJSXVJPSNOGNK-UHFFFAOYSA-N 0 0 459.568 2.799 40 0 JFABRN CO[C@@H]1[C@@H](CO)O[C@H](Oc2ccc(C(c3ccc(O)cc3)=C3CCCCC3)cc2)[C@H](O)[C@@H]1O ZINC000005430991 523781716 /nfs/dbraw/zinc/78/17/16/523781716.db2.gz ISZALBKYPNOAOA-WONSJQCUSA-N 0 0 456.535 2.991 40 0 JFABRN CC[C@H](C(=O)NCc1ccc(F)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000012472664 523783670 /nfs/dbraw/zinc/78/36/70/523783670.db2.gz IYJPFPINJHMFQR-OAHLLOKOSA-N 0 0 475.571 2.762 40 0 JFABRN CC[C@H](C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000020490734 523797624 /nfs/dbraw/zinc/79/76/24/523797624.db2.gz JGXMNCFTZWYUKT-HXUWFJFHSA-N 0 0 497.639 2.874 40 0 JFABRN CN(C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)C1CCCCC1 ZINC000020483140 523814839 /nfs/dbraw/zinc/81/48/39/523814839.db2.gz JICWYBNNSXUXLJ-UHFFFAOYSA-N 0 0 450.342 2.848 40 0 JFABRN CO[C@@]1(c2ccc(C)c(Cc3ccc(-c4ccc(F)cc4)s3)c2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000071973764 523818947 /nfs/dbraw/zinc/81/89/47/523818947.db2.gz UKGXVMIGVXOCSH-HFBCXCLPSA-N 0 0 474.550 2.726 40 0 JFABRN COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6ccc(OC(C)=O)cc6)C(=O)[C@H]54)[C@@H]23)c(OC)c1 ZINC000033821777 523881097 /nfs/dbraw/zinc/88/10/97/523881097.db2.gz RNAGIWXKFVEFRF-JWTOYNMASA-N 0 0 476.485 2.804 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(C)o1)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 ZINC000013508448 523910597 /nfs/dbraw/zinc/91/05/97/523910597.db2.gz HNMKZYKCSWVOBE-RUZDIDTESA-N 0 0 491.548 2.874 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C ZINC000012467267 523911003 /nfs/dbraw/zinc/91/10/03/523911003.db2.gz AWGJGEWCZHGGPE-HXUWFJFHSA-N 0 0 499.568 2.731 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013508426 523918050 /nfs/dbraw/zinc/91/80/50/523918050.db2.gz UMZSZRBIVJRPKW-VWLOTQADSA-N 0 0 475.549 2.908 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 ZINC000013508355 523918311 /nfs/dbraw/zinc/91/83/11/523918311.db2.gz CHPCUGMHPONVSN-DEOSSOPVSA-N 0 0 477.521 2.878 40 0 JFABRN CC[C@H](C)NC(=O)CCn1c2nnc(SCC(=O)NC3CCCCC3)n2c2ccccc2c1=O ZINC000033292050 523969742 /nfs/dbraw/zinc/96/97/42/523969742.db2.gz PQRLKQQSPQJPKV-INIZCTEOSA-N 0 0 484.626 2.890 40 0 JFABRN COc1ccc(CCNC(=S)N(CCCO)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1OC ZINC000006240110 523973979 /nfs/dbraw/zinc/97/39/79/523973979.db2.gz MHHJHXWGCAZJNB-UHFFFAOYSA-N 0 0 499.589 2.576 40 0 JFABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)NC3CCCCC3)nnc1n(C)c2=O ZINC000033256761 524000295 /nfs/dbraw/zinc/00/02/95/524000295.db2.gz NWKHFRVPCFEURN-AWEZNQCLSA-N 0 0 470.599 2.651 40 0 JFABRN CO[C@H]1[C@@H](O)[C@@H](O)[C@@H](Oc2ccc(C(c3ccc(O)cc3)=C3CCCCC3)cc2)O[C@H]1CO ZINC000005430986 524022561 /nfs/dbraw/zinc/02/25/61/524022561.db2.gz ISZALBKYPNOAOA-CVCYMHMSSA-N 0 0 456.535 2.991 40 0 JFABRN COc1ccc(CNC(=O)[C@H](c2ccco2)N(CCCO)C(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000012472230 524064311 /nfs/dbraw/zinc/06/43/11/524064311.db2.gz JIKOQGNHPOEKPD-RPWUZVMVSA-N 0 0 480.517 2.697 40 0 JFABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)c1 ZINC000020461211 524160645 /nfs/dbraw/zinc/16/06/45/524160645.db2.gz AVXHOQIWMKSTIH-SFHVURJKSA-N 0 0 494.639 2.561 40 0 JFABRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(C)(=O)=O ZINC000020495688 524214812 /nfs/dbraw/zinc/21/48/12/524214812.db2.gz VBURVUWEOPQCDW-UHFFFAOYSA-N 0 0 462.959 2.925 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000016350034 524248111 /nfs/dbraw/zinc/24/81/11/524248111.db2.gz JHYHLVGGGXXKCD-UHFFFAOYSA-N 0 0 466.003 2.935 40 0 JFABRN Cc1cccc(C)c1N(CC(=O)NCc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013150950 524264137 /nfs/dbraw/zinc/26/41/37/524264137.db2.gz VWMXASMYCANIJQ-UHFFFAOYSA-N 0 0 473.526 2.663 40 0 JFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccco2)cc1 ZINC000006134292 524339215 /nfs/dbraw/zinc/33/92/15/524339215.db2.gz XCCBIEJTZJEKHA-LJQANCHMSA-N 0 0 485.566 2.976 40 0 JFABRN COc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)cc1OC ZINC000013505818 524359740 /nfs/dbraw/zinc/35/97/40/524359740.db2.gz RSKWJHVNTAWCRB-UHFFFAOYSA-N 0 0 458.515 2.811 40 0 JFABRN C[C@H]1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4O3)c2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000033659704 524438287 /nfs/dbraw/zinc/43/82/87/524438287.db2.gz PZMQVYFLDMXNGZ-DEYYWGMASA-N 0 0 490.603 2.568 40 0 JFABRN Cc1cccc(N2CCN(C(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)CC2)c1C ZINC000020456482 524550387 /nfs/dbraw/zinc/55/03/87/524550387.db2.gz QWDAVWLCCSQBEW-OAQYLSRUSA-N 0 0 463.987 2.833 40 0 JFABRN Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(S(=O)(=O)c4ccc(C)cc4)C2)[nH]c3=O)cc1 ZINC000006161878 524777488 /nfs/dbraw/zinc/77/74/88/524777488.db2.gz RFEDVAYBTPSKTE-IBGZPJMESA-N 0 0 478.578 2.748 40 0 JFABRN Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1C ZINC000012467018 524891265 /nfs/dbraw/zinc/89/12/65/524891265.db2.gz VCHIABSLLXEINJ-UHFFFAOYSA-N 0 0 455.515 2.543 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1OC ZINC000016347167 525000212 /nfs/dbraw/zinc/00/02/12/525000212.db2.gz PNSKKNLBYGJLEL-UHFFFAOYSA-N 0 0 482.002 2.635 40 0 JFABRN COc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@H]2CCCO2)cc1 ZINC000006239910 525016528 /nfs/dbraw/zinc/01/65/28/525016528.db2.gz QHOBBWPOPIWTKY-LJQANCHMSA-N 0 0 486.546 2.678 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4ccco4)ccc(=O)n2C3)cc1 ZINC000005438045 525048827 /nfs/dbraw/zinc/04/88/27/525048827.db2.gz GDKIHDKFSFYSOW-JKSUJKDBSA-N 0 0 469.519 2.510 40 0 biogenic,in-vitro JFABRN Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(CC(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000020097717 525091663 /nfs/dbraw/zinc/09/16/63/525091663.db2.gz CHKKEHSGAQOXAH-XIFFEERXSA-N 0 0 473.570 2.913 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccccc1Br ZINC000020454045 525150745 /nfs/dbraw/zinc/15/07/45/525150745.db2.gz GHYASMKMCLYMCP-UHFFFAOYSA-N 0 0 463.357 2.717 40 0 JFABRN CS(=O)(=O)N1C[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)Oc2ccc(Cl)cc21 ZINC000020486639 525187107 /nfs/dbraw/zinc/18/71/07/525187107.db2.gz LLUBFSFTAJTWCR-QNBZTBGESA-N 0 0 475.998 2.725 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(CCC(C)C)[C@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@]2(C)O4)no1 ZINC000004354199 525224210 /nfs/dbraw/zinc/22/42/10/525224210.db2.gz KTRDUBAGADPKCC-YPETUVQESA-N 0 0 492.576 2.825 40 0 JFABRN COc1ccc([C@H](C)NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC ZINC000020452680 525303764 /nfs/dbraw/zinc/30/37/64/525303764.db2.gz ZAWYCPFYQNTAIP-HNNXBMFYSA-N 0 0 464.540 2.856 40 0 JFABRN COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000020017872 525304235 /nfs/dbraw/zinc/30/42/35/525304235.db2.gz DGDIVCGSLXNRTI-INIZCTEOSA-N 0 0 462.568 2.991 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)CC2)cc1 ZINC000006161796 525525158 /nfs/dbraw/zinc/52/51/58/525525158.db2.gz BVLICBQHXGTQHN-UHFFFAOYSA-N 0 0 482.541 2.991 40 0 JFABRN Cc1cc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2cc1C ZINC000019824381 525639425 /nfs/dbraw/zinc/63/94/25/525639425.db2.gz XSUCBNYWTNVKHB-QFIPXVFZSA-N 0 0 472.655 2.723 40 0 JFABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCCO)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000012476790 525676009 /nfs/dbraw/zinc/67/60/09/525676009.db2.gz UFUVBKJOCACRFX-QFIPXVFZSA-N 0 0 482.560 2.655 40 0 JFABRN C[C@H](C(=O)NCc1ccco1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467241 526089095 /nfs/dbraw/zinc/08/90/95/526089095.db2.gz BRODIQDILIETNE-JCVUJBFDSA-N 0 0 454.571 2.944 40 0 biogenic,in-vitro JFABRN Cc1ccc2c(c1)c(=O)n(CCC(=O)NC(C)C)c1nnc(SCC(=O)NCc3cccs3)n12 ZINC000033170003 526216986 /nfs/dbraw/zinc/21/69/86/526216986.db2.gz YFMZBHGXIGGJPN-UHFFFAOYSA-N 0 0 498.634 2.737 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCCc1ccccc1)Cc1ccc2c(c1)OCO2)Nc1nccs1 ZINC000013501585 526375454 /nfs/dbraw/zinc/37/54/54/526375454.db2.gz YUJAIBKMPKMNMY-UHFFFAOYSA-N 0 0 494.573 2.978 40 0 JFABRN O=C(OC[C@]1(O)[C@H](OC(=O)c2ccccc2)C=C[C@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1 ZINC000014489551 526422662 /nfs/dbraw/zinc/42/26/62/526422662.db2.gz UEYWXBQABUNMMN-KVOKEACQSA-N 0 0 488.492 2.956 40 0 biogenic,in-vitro JFABRN O=C(CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccccc1 ZINC000013496982 526693220 /nfs/dbraw/zinc/69/32/20/526693220.db2.gz NIEBCRQQURXIIX-UHFFFAOYSA-N 0 0 477.608 2.699 40 0 JFABRN O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(F)cc1 ZINC000013503130 526702025 /nfs/dbraw/zinc/70/20/25/526702025.db2.gz JGTRHCCYDDVHGA-UHFFFAOYSA-N 0 0 493.557 2.650 40 0 JFABRN O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020485962 526779977 /nfs/dbraw/zinc/77/99/77/526779977.db2.gz GLPZQNKTMDVXII-UHFFFAOYSA-N 0 0 483.546 2.624 40 0 JFABRN O=C(NCc1cccs1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1 ZINC000004093130 526780962 /nfs/dbraw/zinc/78/09/62/526780962.db2.gz XEFVRWDSWFRYER-UHFFFAOYSA-N 0 0 484.043 2.955 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016428069 526965845 /nfs/dbraw/zinc/96/58/45/526965845.db2.gz DEIYSBPWYPOFCG-UHFFFAOYSA-N 0 0 461.559 2.728 40 0 JFABRN Cn1c2nnc(SCC(=O)NC3CCCC3)n2c2cc(C(=O)NC3CCCCC3)ccc2c1=O ZINC000033256858 527127301 /nfs/dbraw/zinc/12/73/01/527127301.db2.gz BFCLZWPHSCMOSK-UHFFFAOYSA-N 0 0 482.610 2.795 40 0 JFABRN O=S(=O)(NC[C@H](NNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000016758549 527225707 /nfs/dbraw/zinc/22/57/07/527225707.db2.gz NNAOUALLCCYASS-FQEVSTJZSA-N 0 0 465.984 2.843 40 0 JFABRN O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000020503900 527227991 /nfs/dbraw/zinc/22/79/91/527227991.db2.gz BBRXITMNROUUBD-JAXLGGSGSA-N 0 0 490.073 2.546 40 0 biogenic,in-vitro JFABRN O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2cc(=O)n3nc(-c4cccs4)sc3n2)CC1 ZINC000041077444 527289091 /nfs/dbraw/zinc/28/90/91/527289091.db2.gz SCXXEGUZKBYLNT-UHFFFAOYSA-N 0 0 496.574 2.958 40 0 JFABRN O=C(Cc1nnc2sc(-c3ccccc3CC(=O)N3CCCCC3)nn12)N1CCCCC1 ZINC000041127037 527343883 /nfs/dbraw/zinc/34/38/83/527343883.db2.gz VBIGAHVQMYFLJL-UHFFFAOYSA-N 0 0 452.584 2.963 40 0 JFABRN Cc1nccn1-c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000044903824 527372565 /nfs/dbraw/zinc/37/25/65/527372565.db2.gz ZFBCZMGTHCIBSX-UHFFFAOYSA-N 0 0 474.970 2.785 40 0 JFABRN O=C(Nc1ccccc1-c1ccccc1NC(=O)C(=S)N1CCOCC1)C(=S)N1CCOCC1 ZINC000020508354 527402711 /nfs/dbraw/zinc/40/27/11/527402711.db2.gz KKLLTROVAQZYFQ-UHFFFAOYSA-N 0 0 498.630 2.550 40 0 JFABRN COCCN1CC2(CCN(C(=O)c3cccs3)CC2)COc2ccccc2S1(=O)=O ZINC000096037183 536856053 /nfs/dbraw/zinc/85/60/53/536856053.db2.gz OKBYYFXKHWSMDI-UHFFFAOYSA-N 0 0 450.582 2.700 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000000693444 553759396 /nfs/dbraw/zinc/75/93/96/553759396.db2.gz OKMXTCMYMWKTCL-BYHQVZLYSA-N 0 0 466.490 2.666 40 0 JFABRN COc1ccc2cc(CN(CCN3CCOCC3)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 ZINC000000879689 553816159 /nfs/dbraw/zinc/81/61/59/553816159.db2.gz SFEHKHIATKJMQV-UHFFFAOYSA-N 0 0 480.634 2.788 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N([C@H](C)C(=O)NC3CCCC3)C3CCCCC3)n2)cc1OC ZINC000000885927 553824475 /nfs/dbraw/zinc/82/44/75/553824475.db2.gz LWEYITSKHCPNSX-QGZVFWFLSA-N 0 0 484.601 2.966 40 0 JFABRN O=C(Cn1nnc(-c2cccs2)n1)N(C[C@@H]1CCCO1)[C@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000000887299 553825749 /nfs/dbraw/zinc/82/57/49/553825749.db2.gz QRRPRPSNRLUMAC-UGKGYDQZSA-N 0 0 495.609 2.604 40 0 JFABRN O=C(CN(C(=O)Cn1nnc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCO1 ZINC000000887647 553825870 /nfs/dbraw/zinc/82/58/70/553825870.db2.gz UAKHQLMJGSMNRQ-INIZCTEOSA-N 0 0 494.499 2.749 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccnc1)C(=S)NC[C@H]1CCCO1)OCCO3 ZINC000000891124 553828235 /nfs/dbraw/zinc/82/82/35/553828235.db2.gz OMZDBNBPESXUEN-LJQANCHMSA-N 0 0 466.563 2.750 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCN1CCOCC1)C(=S)NCc1ccccc1)OCCO3 ZINC000000891219 553828525 /nfs/dbraw/zinc/82/85/25/553828525.db2.gz PKGZCUBQOUNWNT-UHFFFAOYSA-N 0 0 494.617 2.508 40 0 JFABRN O=C(CN(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1 ZINC000000903613 553836632 /nfs/dbraw/zinc/83/66/32/553836632.db2.gz PMSCQRWRIULJBH-UHFFFAOYSA-N 0 0 450.518 2.957 40 0 JFABRN Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCOCC3)n2Cc2ccco2)n1 ZINC000000906961 553839384 /nfs/dbraw/zinc/83/93/84/553839384.db2.gz HKCXHYWGOWKHIE-UHFFFAOYSA-N 0 0 460.585 2.569 40 0 JFABRN O=S(=O)(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000000921147 553853926 /nfs/dbraw/zinc/85/39/26/553853926.db2.gz ZQQGASHOFIRMIM-UHFFFAOYSA-N 0 0 481.615 2.901 40 0 JFABRN CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000923713 553858534 /nfs/dbraw/zinc/85/85/34/553858534.db2.gz VMPZWTMXGJDGKM-UHFFFAOYSA-N 0 0 487.607 2.717 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000925863 553862073 /nfs/dbraw/zinc/86/20/73/553862073.db2.gz GOIGNZJESFAPOI-UHFFFAOYSA-N 0 0 460.538 2.631 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000000926059 553862388 /nfs/dbraw/zinc/86/23/88/553862388.db2.gz VXBHOLSWYDIIOD-UHFFFAOYSA-N 0 0 474.565 2.885 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000926652 553862974 /nfs/dbraw/zinc/86/29/74/553862974.db2.gz DFGUVQHDMWSGHA-UHFFFAOYSA-N 0 0 460.538 2.897 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccccc1OC)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000927480 553864229 /nfs/dbraw/zinc/86/42/29/553864229.db2.gz DZOXJFIPBGQZAE-UHFFFAOYSA-N 0 0 490.564 2.906 40 0 JFABRN CCOc1ccc(OCC)c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)c1 ZINC000000932481 553871040 /nfs/dbraw/zinc/87/10/40/553871040.db2.gz HJNMCLYLVIABTD-UHFFFAOYSA-N 0 0 457.512 2.962 40 0 JFABRN COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000002137542 554062577 /nfs/dbraw/zinc/06/25/77/554062577.db2.gz XWGRQIXELKGBIL-MSOLQXFVSA-N 0 0 479.558 2.917 40 0 JFABRN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000002422300 554199298 /nfs/dbraw/zinc/19/92/98/554199298.db2.gz VWYSPLKAONQQSG-UWHLTILDSA-N 0 0 459.502 2.967 40 0 JFABRN O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(S(=O)(=O)c3ccccc3)C1)C2)c1ccc2c(c1)OCO2 ZINC000005437985 554491255 /nfs/dbraw/zinc/49/12/55/554491255.db2.gz IMRLSBHPLRIMKY-FUHWJXTLSA-N 0 0 493.541 2.637 40 0 biogenic,in-vitro JFABRN COc1ccc(CCNC(=O)CC2CC(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C2)cc1OC ZINC000005496217 554491572 /nfs/dbraw/zinc/49/15/72/554491572.db2.gz ZGMBOOGKIFVCAM-UHFFFAOYSA-N 0 0 498.576 2.778 40 0 JFABRN COC(=O)[C@](C)(NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000006005340 554499513 /nfs/dbraw/zinc/49/95/13/554499513.db2.gz MIIRPCCNBGCALP-WAIKUNEKSA-N 0 0 450.532 2.816 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3cccc(F)c3)n2)cc1OC ZINC000006134014 554505986 /nfs/dbraw/zinc/50/59/86/554505986.db2.gz VIRRNTUUHSCHGD-UHFFFAOYSA-N 0 0 484.532 2.692 40 0 JFABRN NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1N ZINC000006445121 554539195 /nfs/dbraw/zinc/53/91/95/554539195.db2.gz JGSWIMSXYCVROG-FQEVSTJZSA-N 0 0 496.568 2.801 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCc2ccccc21)OCO3 ZINC000006446895 554541246 /nfs/dbraw/zinc/54/12/46/554541246.db2.gz XPTRXFOUBVFDIP-SBUREZEXSA-N 0 0 472.505 2.574 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCc2ccccc21)OCO3 ZINC000006446898 554541264 /nfs/dbraw/zinc/54/12/64/554541264.db2.gz XPTRXFOUBVFDIP-GAJHUEQPSA-N 0 0 472.505 2.574 40 0 JFABRN CCCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006481302 554545032 /nfs/dbraw/zinc/54/50/32/554545032.db2.gz RNRDKDUTHZBSKB-AWEZNQCLSA-N 0 0 491.614 2.962 40 0 JFABRN CCC[C@@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 ZINC000006501180 554547416 /nfs/dbraw/zinc/54/74/16/554547416.db2.gz DQHKAZRZVJZIRR-INIZCTEOSA-N 0 0 461.588 2.811 40 0 JFABRN CCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006501396 554547674 /nfs/dbraw/zinc/54/76/74/554547674.db2.gz HMSCVOYMJCJPEF-OAHLLOKOSA-N 0 0 489.598 2.716 40 0 JFABRN CCOC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(C)=O)C(=O)OCC ZINC000006546145 554549686 /nfs/dbraw/zinc/54/96/86/554549686.db2.gz LAZWHUPSJRHVFT-ZEQRLZLVSA-N 0 0 498.576 2.704 40 0 JFABRN O=C(c1ccco1)N1CCN(c2nc(C(F)(F)F)nc3c2nnn3Cc2ccccc2)CC1 ZINC000006550944 554550754 /nfs/dbraw/zinc/55/07/54/554550754.db2.gz BHOZQYCAEWBMCV-UHFFFAOYSA-N 0 0 457.416 2.844 40 0 JFABRN CCC[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1 ZINC000006550916 554550797 /nfs/dbraw/zinc/55/07/97/554550797.db2.gz IWFFZCQQXRWIPL-NRFANRHFSA-N 0 0 461.584 2.814 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccc(OC)c1 ZINC000006552294 554551478 /nfs/dbraw/zinc/55/14/78/554551478.db2.gz MMNQAEVIWKEAIY-XMMPIXPASA-N 0 0 499.564 2.600 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(OC)cc1OC ZINC000006631672 554556818 /nfs/dbraw/zinc/55/68/18/554556818.db2.gz LCTSCJPIUAJTIK-KRWDZBQOSA-N 0 0 484.557 2.985 40 0 JFABRN CC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc2c(c1)OCCO2 ZINC000006631785 554557072 /nfs/dbraw/zinc/55/70/72/554557072.db2.gz RUFXKQSVRYCLEC-IBGZPJMESA-N 0 0 494.552 2.883 40 0 JFABRN CC[C@H](C(=O)NC1CCCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC ZINC000006821136 554558259 /nfs/dbraw/zinc/55/82/59/554558259.db2.gz VCWSWLRDENABMH-OAHLLOKOSA-N 0 0 489.598 2.716 40 0 JFABRN COCC(=O)Cc1csc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)n1 ZINC000006904341 554560694 /nfs/dbraw/zinc/56/06/94/554560694.db2.gz QLXYCKFENSYBCP-UHFFFAOYSA-N 0 0 454.537 2.761 40 0 JFABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000006973508 554562691 /nfs/dbraw/zinc/56/26/91/554562691.db2.gz KDKFDKJNRDPAPS-FQEVSTJZSA-N 0 0 497.577 2.868 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3ccc(F)cc3)n2)cc1 ZINC000007060682 554563643 /nfs/dbraw/zinc/56/36/43/554563643.db2.gz IIUQRUOXZFPJPP-UHFFFAOYSA-N 0 0 466.517 2.575 40 0 JFABRN COc1ccccc1-c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NC2CCCCC2)n1 ZINC000008297337 554565038 /nfs/dbraw/zinc/56/50/38/554565038.db2.gz PHOJGANKLGTDAA-SEIRJHJZSA-N 0 0 453.543 2.731 40 0 biogenic,in-vitro JFABRN COc1ccc(/C=C/c2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)CSC)[C@H]2C(=O)N3)cc1 ZINC000008296812 554565110 /nfs/dbraw/zinc/56/51/10/554565110.db2.gz QMNSVDVLNPYTOO-LSVSAYSTSA-N 0 0 451.548 2.880 40 0 biogenic,in-vitro JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000008399175 554574234 /nfs/dbraw/zinc/57/42/34/554574234.db2.gz VYRYKFYAMLHQBU-SIWPHUPXSA-N 0 0 463.559 2.992 40 0 JFABRN COc1ccc2c(c1)N(C)/C(=c1/s/c(=c3/sc4nc5ccccc5n4c3=O)n(C)c1=O)S2 ZINC000008426043 554580840 /nfs/dbraw/zinc/58/08/40/554580840.db2.gz PZJQRVXPEZTVTB-ARHRGINZSA-N 0 0 480.596 2.992 40 0 JFABRN COc1cc(OC)cc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)c1 ZINC000008790488 554683710 /nfs/dbraw/zinc/68/37/10/554683710.db2.gz SBELYCJNUZSPNW-UHFFFAOYSA-N 0 0 463.537 2.587 40 0 JFABRN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 ZINC000009164659 554950531 /nfs/dbraw/zinc/95/05/31/554950531.db2.gz GZBMHJWVHBUUCC-MXEMCNAFSA-N 0 0 463.877 2.862 40 0 JFABRN CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000009356245 555121273 /nfs/dbraw/zinc/12/12/73/555121273.db2.gz XVLQOVRSYDPPQA-NRTGNBEESA-N 0 0 473.787 2.624 40 0 JFABRN CCOC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccccc3Cl)c(=O)n12 ZINC000009367766 555130541 /nfs/dbraw/zinc/13/05/41/555130541.db2.gz GDVANGWYXBHSGF-SQWKQDNASA-N 0 0 454.935 2.903 40 0 JFABRN C[C@@H](CSc1nc2ccccc2o1)Cn1c(N2C[C@H](C)O[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009518770 555314683 /nfs/dbraw/zinc/31/46/83/555314683.db2.gz FXCITHKKIHIOOZ-ILXRZTDVSA-N 0 0 484.582 2.607 40 0 JFABRN Cn1c2nc(N3CCN(c4ccccc4)CC3)n(CCSc3ccccc3)c2c(=O)[nH]c1=O ZINC000009518909 555314932 /nfs/dbraw/zinc/31/49/32/555314932.db2.gz XHESKLMSAXLWTA-UHFFFAOYSA-N 0 0 462.579 2.542 40 0 JFABRN C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N=c1sccn1Cc1ccccc1Cl)CS2 ZINC000009547094 555343722 /nfs/dbraw/zinc/34/37/22/555343722.db2.gz VOVRVDLIVWZDBU-XEFIPWMDSA-N 0 0 465.984 2.676 40 0 JFABRN C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N=c1sccn1Cc1ccccc1Cl)CS2 ZINC000009547084 555343830 /nfs/dbraw/zinc/34/38/30/555343830.db2.gz VOVRVDLIVWZDBU-KQDRKICRSA-N 0 0 465.984 2.676 40 0 JFABRN COc1ccc(N(C(=O)CNS(=O)(=O)c2ccccc2)[C@H](C(=O)NCc2ccco2)C(C)C)cc1 ZINC000013151031 555357936 /nfs/dbraw/zinc/35/79/36/555357936.db2.gz JWXCHASRZWKRHP-DEOSSOPVSA-N 0 0 499.589 2.941 40 0 JFABRN COCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013496342 555411475 /nfs/dbraw/zinc/41/14/75/555411475.db2.gz TUMQJAFNXGMXCR-NRFANRHFSA-N 0 0 465.583 2.849 40 0 JFABRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC(=O)Nc3ccccc3)C3CC3)cc2)C1 ZINC000013496987 555412576 /nfs/dbraw/zinc/41/25/76/555412576.db2.gz OKOXTLMHBJQSIV-GOSISDBHSA-N 0 0 491.635 2.899 40 0 JFABRN Cc1ccc2[nH]c(=O)c(CN(CCCO)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)cc2c1 ZINC000013500555 555441479 /nfs/dbraw/zinc/44/14/79/555441479.db2.gz KJZBLCAHNHMBSH-UNMCSNQZSA-N 0 0 454.575 2.584 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nccs2)c1 ZINC000013501708 555451014 /nfs/dbraw/zinc/45/10/14/555451014.db2.gz MCEPIOVRZSWAFK-UHFFFAOYSA-N 0 0 460.556 2.971 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013502005 555452243 /nfs/dbraw/zinc/45/22/43/555452243.db2.gz HVAAZXBPNLTZFM-UHFFFAOYSA-N 0 0 496.545 2.949 40 0 JFABRN CCOc1ccccc1[C@@H](C(=O)NCc1ccco1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013502451 555455172 /nfs/dbraw/zinc/45/51/72/555455172.db2.gz YGLJMGKBMVHUSR-VWLOTQADSA-N 0 0 491.548 2.956 40 0 JFABRN CC(C)[C@H](C(=O)NCc1ccco1)N(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502784 555457174 /nfs/dbraw/zinc/45/71/74/555457174.db2.gz AQLCMEPAWWXQNX-RUZDIDTESA-N 0 0 497.617 2.970 40 0 JFABRN CC(C)[C@H](C(=O)NC[C@@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000013503070 555459013 /nfs/dbraw/zinc/45/90/13/555459013.db2.gz FRLLCMXJIVHAGL-NZQKXSOJSA-N 0 0 497.633 2.585 40 0 JFABRN CC[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCC1 ZINC000013503061 555459127 /nfs/dbraw/zinc/45/91/27/555459127.db2.gz BGCYIQWIGLEFLX-FQEVSTJZSA-N 0 0 465.547 2.563 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000013504493 555463796 /nfs/dbraw/zinc/46/37/96/555463796.db2.gz YJPBRNWFTRFFRD-QPPBQGQZSA-N 0 0 464.570 2.781 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000013504471 555463821 /nfs/dbraw/zinc/46/38/21/555463821.db2.gz GBLLHUHYRUAREB-URXFXBBRSA-N 0 0 464.570 2.781 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1 ZINC000013504474 555463891 /nfs/dbraw/zinc/46/38/91/555463891.db2.gz WEWILQSQNHJVCR-XUZZJYLKSA-N 0 0 482.560 2.920 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000013504473 555463903 /nfs/dbraw/zinc/46/39/03/555463903.db2.gz GBLLHUHYRUAREB-QPPBQGQZSA-N 0 0 464.570 2.781 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC1CCCC1)c1cccc(OC)c1 ZINC000013505747 555467798 /nfs/dbraw/zinc/46/77/98/555467798.db2.gz BCDNOEWRIOKWDT-XMMPIXPASA-N 0 0 486.569 2.985 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(C[C@H]2CCCO2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)no1 ZINC000013505833 555468376 /nfs/dbraw/zinc/46/83/76/555468376.db2.gz BPHBXBBOURPMFT-BKSPAHHJSA-N 0 0 498.580 2.746 40 0 JFABRN COCCN(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013505988 555469135 /nfs/dbraw/zinc/46/91/35/555469135.db2.gz GQFXAXBKGHRQRD-NRFANRHFSA-N 0 0 461.559 2.892 40 0 JFABRN COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2cccs2)cc1OC ZINC000013506555 555472352 /nfs/dbraw/zinc/47/23/52/555472352.db2.gz LBNONKRZSXZZPQ-UHFFFAOYSA-N 0 0 459.568 2.977 40 0 JFABRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCOC)c2ccco2)cc1 ZINC000013508484 555478850 /nfs/dbraw/zinc/47/88/50/555478850.db2.gz IHRQMHLLCZZXQG-DEOSSOPVSA-N 0 0 477.521 2.960 40 0 JFABRN COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(C)=O)cc1 ZINC000013508565 555479040 /nfs/dbraw/zinc/47/90/40/555479040.db2.gz YOGPHITYLIGKCJ-DEOSSOPVSA-N 0 0 490.520 2.520 40 0 JFABRN COCCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)=O)cc1 ZINC000013508559 555479141 /nfs/dbraw/zinc/47/91/41/555479141.db2.gz ZKVKITYVKUHICD-XMMPIXPASA-N 0 0 475.505 2.764 40 0 JFABRN COCCNC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 ZINC000013508704 555479323 /nfs/dbraw/zinc/47/93/23/555479323.db2.gz YANDTWBBFMPYIN-VWLOTQADSA-N 0 0 473.533 2.977 40 0 JFABRN COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013508753 555479536 /nfs/dbraw/zinc/47/95/36/555479536.db2.gz GCGQOJBDGZDGJA-VWLOTQADSA-N 0 0 457.534 2.964 40 0 JFABRN COCCNC(=O)[C@@H](c1cccc(OC)c1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013508992 555480030 /nfs/dbraw/zinc/48/00/30/555480030.db2.gz JYOMTCYDOMFKCF-AREMUKBSSA-N 0 0 487.560 2.973 40 0 JFABRN COCCNC(=O)[C@H](c1ccccc1F)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013509081 555480360 /nfs/dbraw/zinc/48/03/60/555480360.db2.gz XUSXHBZLHCKHGU-QHCPKHFHSA-N 0 0 465.485 2.696 40 0 JFABRN CCOc1ccccc1[C@@H](C(=O)NCCOC)N(C(=O)Cn1nnc2ccccc21)c1cccnc1 ZINC000013509208 555480903 /nfs/dbraw/zinc/48/09/03/555480903.db2.gz IRRAKWPFCLYKAJ-VWLOTQADSA-N 0 0 488.548 2.762 40 0 JFABRN COCCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(C)c1 ZINC000013509285 555481066 /nfs/dbraw/zinc/48/10/66/555481066.db2.gz CQUJXGUHZRIGQX-VWLOTQADSA-N 0 0 472.549 2.980 40 0 JFABRN COCCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 ZINC000013509276 555481073 /nfs/dbraw/zinc/48/10/73/555481073.db2.gz AQAOXYYFWWFNCK-XMMPIXPASA-N 0 0 458.522 2.672 40 0 JFABRN COCCNC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013509338 555481084 /nfs/dbraw/zinc/48/10/84/555481084.db2.gz VRYQGXNGYPQRQZ-QHCPKHFHSA-N 0 0 462.485 2.503 40 0 JFABRN COCCNC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C ZINC000013509365 555481381 /nfs/dbraw/zinc/48/13/81/555481381.db2.gz BPONNPCCABNGDW-VWLOTQADSA-N 0 0 472.549 2.980 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2ccccn2)N2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000013561810 555495165 /nfs/dbraw/zinc/49/51/65/555495165.db2.gz KZMHISXMQGDIHU-DEOSSOPVSA-N 0 0 457.538 2.742 40 0 JFABRN CCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000019831524 555505347 /nfs/dbraw/zinc/50/53/47/555505347.db2.gz CPVVNTPWGCICLC-UHFFFAOYSA-N 0 0 493.391 2.905 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)C(=S)NC[C@H]1CCCO1)OCCO3 ZINC000013570752 555509260 /nfs/dbraw/zinc/50/92/60/555509260.db2.gz PTHQSKCOUYEGPM-QGZVFWFLSA-N 0 0 455.536 2.948 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000019856151 555514264 /nfs/dbraw/zinc/51/42/64/555514264.db2.gz DFUDWPHELUPTOY-UHFFFAOYSA-N 0 0 485.484 2.583 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000019856279 555514718 /nfs/dbraw/zinc/51/47/18/555514718.db2.gz LFMAPSRFCKFGOK-UHFFFAOYSA-N 0 0 474.004 2.775 40 0 JFABRN COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)CC1 ZINC000013580825 555519169 /nfs/dbraw/zinc/51/91/69/555519169.db2.gz PDVYUZPSUFVLEV-GOSISDBHSA-N 0 0 491.585 2.592 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000013580820 555519245 /nfs/dbraw/zinc/51/92/45/555519245.db2.gz ZYSPRANQZNNUEG-QGZVFWFLSA-N 0 0 479.549 2.723 40 0 JFABRN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 ZINC000013580754 555519262 /nfs/dbraw/zinc/51/92/62/555519262.db2.gz ZCQJBHWEXGEPEI-CQSZACIVSA-N 0 0 450.488 2.660 40 0 JFABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)cc1 ZINC000019867888 555522271 /nfs/dbraw/zinc/52/22/71/555522271.db2.gz HKBWWSSTRLIMCA-UHFFFAOYSA-N 0 0 485.606 2.648 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 ZINC000019867891 555522343 /nfs/dbraw/zinc/52/23/43/555522343.db2.gz OMIFODKDMNVOTL-UHFFFAOYSA-N 0 0 473.595 2.552 40 0 JFABRN CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3C1[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@@H]12 ZINC000013590903 555525081 /nfs/dbraw/zinc/52/50/81/555525081.db2.gz ANYNUHFXXQLFIY-PVMIZAFMSA-N 0 0 498.535 2.964 40 0 JFABRN CCN(CC(=O)NCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930408 555547738 /nfs/dbraw/zinc/54/77/38/555547738.db2.gz CPRIYNGBZQWLCE-UHFFFAOYSA-N 0 0 456.948 2.693 40 0 JFABRN O=C(NCc1ccc(-n2ccnc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000019934716 555552389 /nfs/dbraw/zinc/55/23/89/555552389.db2.gz IZDVUNUGHHOUHZ-UHFFFAOYSA-N 0 0 456.543 2.870 40 0 JFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)N1CCN(c2ccccc2)CC1 ZINC000019935413 555552626 /nfs/dbraw/zinc/55/26/26/555552626.db2.gz JLYGITHSTDDQKM-UHFFFAOYSA-N 0 0 463.987 2.852 40 0 JFABRN COc1ccc([C@@H](CC(=O)NCCCn2ccnc2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936260 555554034 /nfs/dbraw/zinc/55/40/34/555554034.db2.gz SNCZFIUNXPFKGF-JOCHJYFZSA-N 0 0 456.568 2.850 40 0 JFABRN CN(c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1 ZINC000019937856 555554562 /nfs/dbraw/zinc/55/45/62/555554562.db2.gz PUAXGOSLXKCICY-UHFFFAOYSA-N 0 0 454.504 2.936 40 0 JFABRN COc1ccc(C(=O)N(CCCN2CCOCC2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1OC ZINC000019941077 555559778 /nfs/dbraw/zinc/55/97/78/555559778.db2.gz FCQWSLHBROSHGI-DEOSSOPVSA-N 0 0 498.624 2.919 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000019941148 555559999 /nfs/dbraw/zinc/55/99/99/555559999.db2.gz AGGASFJSLBCQIJ-HEJPQYQCSA-N 0 0 467.607 2.977 40 0 JFABRN Cc1ccc(N(CC(=O)NC(C)(C)C)C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000019941141 555560066 /nfs/dbraw/zinc/56/00/66/555560066.db2.gz VPARCDQQAQRNAS-JGCGQSQUSA-N 0 0 461.559 2.769 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)N3CCOCC3)cc2c1 ZINC000019941458 555560639 /nfs/dbraw/zinc/56/06/39/555560639.db2.gz GSSPIOYHYRCPDB-QHCPKHFHSA-N 0 0 460.538 2.556 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1Cl ZINC000013681545 555574724 /nfs/dbraw/zinc/57/47/24/555574724.db2.gz VXOAGQBZHUAYNV-MRXNPFEDSA-N 0 0 451.976 2.852 40 0 JFABRN Cc1cccc(NC(SCC(=O)NCc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000009973807 555575527 /nfs/dbraw/zinc/57/55/27/555575527.db2.gz JYUKUKTWILXBAA-UHFFFAOYSA-N 0 0 452.536 2.719 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000019973218 555575579 /nfs/dbraw/zinc/57/55/79/555575579.db2.gz DGHKMHVQQCWQDE-DEOSSOPVSA-N 0 0 473.581 2.689 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1Cl ZINC000013682209 555575608 /nfs/dbraw/zinc/57/56/08/555575608.db2.gz QTTYJMINFPMTOY-HNNXBMFYSA-N 0 0 495.985 2.614 40 0 JFABRN Cc1ccc(CNC(=O)CSC(Nc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974387 555578926 /nfs/dbraw/zinc/57/89/26/555578926.db2.gz IOQUXLHQWCNCOZ-UHFFFAOYSA-N 0 0 452.536 2.719 40 0 JFABRN CC[C@@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712724 555590262 /nfs/dbraw/zinc/59/02/62/555590262.db2.gz IXGIWFSZTJLMKR-INIZCTEOSA-N 0 0 450.948 2.714 40 0 JFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714849 555592211 /nfs/dbraw/zinc/59/22/11/555592211.db2.gz DVDNEDOPHDZCSG-HXUWFJFHSA-N 0 0 479.986 2.996 40 0 JFABRN CC[C@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715468 555592810 /nfs/dbraw/zinc/59/28/10/555592810.db2.gz GJACJFJCPMZOKQ-LJQANCHMSA-N 0 0 460.531 2.807 40 0 JFABRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715806 555593243 /nfs/dbraw/zinc/59/32/43/555593243.db2.gz BOPDVRGTYGSWKA-HXUWFJFHSA-N 0 0 483.587 2.794 40 0 JFABRN COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC ZINC000020017879 555593587 /nfs/dbraw/zinc/59/35/87/555593587.db2.gz XUTKHVMSXYFTDL-INIZCTEOSA-N 0 0 492.594 2.999 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000020017912 555593874 /nfs/dbraw/zinc/59/38/74/555593874.db2.gz PUIVJNVEMGOYSS-INIZCTEOSA-N 0 0 462.568 2.991 40 0 JFABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Br)c1 ZINC000020020629 555597631 /nfs/dbraw/zinc/59/76/31/555597631.db2.gz HIFZOYYGLYSAAM-OAHLLOKOSA-N 0 0 483.384 2.726 40 0 JFABRN COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2s1 ZINC000020020641 555597617 /nfs/dbraw/zinc/59/76/17/555597617.db2.gz KPBDWTQJCNBOGB-UHFFFAOYSA-N 0 0 490.559 2.726 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000020021201 555598523 /nfs/dbraw/zinc/59/85/23/555598523.db2.gz YAPNGBWTFBOXIC-MRXNPFEDSA-N 0 0 450.557 2.991 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(Cl)c1 ZINC000020023227 555601134 /nfs/dbraw/zinc/60/11/34/555601134.db2.gz IXAZEROJXIQKRZ-LJQANCHMSA-N 0 0 452.960 2.837 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c(Cl)c1 ZINC000020023219 555601138 /nfs/dbraw/zinc/60/11/38/555601138.db2.gz ZHJSWFVSOVXINI-CQSZACIVSA-N 0 0 486.974 2.538 40 0 JFABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)cc1OC ZINC000010041652 555606146 /nfs/dbraw/zinc/60/61/46/555606146.db2.gz RTNGMLZNZRRKFW-CJXWSEAPSA-N 0 0 487.626 2.949 40 0 JFABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1OC ZINC000010041655 555606180 /nfs/dbraw/zinc/60/61/80/555606180.db2.gz SYUGCXRPNSIZMN-SOFGYWHQSA-N 0 0 488.595 2.658 40 0 JFABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)cc1OC ZINC000010041650 555606219 /nfs/dbraw/zinc/60/62/19/555606219.db2.gz RTNGMLZNZRRKFW-BSFHNJQISA-N 0 0 487.626 2.949 40 0 JFABRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c3cccs3)cc2)cc1 ZINC000010042116 555606530 /nfs/dbraw/zinc/60/65/30/555606530.db2.gz PJYJSJLWCHWIRS-UHFFFAOYSA-N 0 0 494.525 2.548 40 0 JFABRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCSCc2ccc(Cl)c(Cl)c2)C1 ZINC000020039861 555613032 /nfs/dbraw/zinc/61/30/32/555613032.db2.gz WDOHPGRZOOAMKY-CQSZACIVSA-N 0 0 454.445 2.861 40 0 JFABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCSCc2ccc(Cl)c(Cl)c2)C1 ZINC000020039864 555613060 /nfs/dbraw/zinc/61/30/60/555613060.db2.gz WDOHPGRZOOAMKY-AWEZNQCLSA-N 0 0 454.445 2.861 40 0 JFABRN O=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000020044987 555615889 /nfs/dbraw/zinc/61/58/89/555615889.db2.gz HUISLAUGRRZZRM-UHFFFAOYSA-N 0 0 459.399 2.938 40 0 JFABRN Cc1nccn1-c1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 ZINC000020045793 555616634 /nfs/dbraw/zinc/61/66/34/555616634.db2.gz HQRBIWCGVWWFEN-UHFFFAOYSA-N 0 0 455.584 2.727 40 0 JFABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000020049271 555618826 /nfs/dbraw/zinc/61/88/26/555618826.db2.gz GOBJDBSPKWEPHW-UHFFFAOYSA-N 0 0 499.633 2.610 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)c(C)cc3[nH]c2=O)N2CCOCC2)cc1 ZINC000020079958 555628723 /nfs/dbraw/zinc/62/87/23/555628723.db2.gz BUORCMGLGMWAQC-QHCPKHFHSA-N 0 0 460.538 2.610 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)c(C)cc3[nH]c2=O)N2CCN(C)CC2)cc1 ZINC000020079908 555628869 /nfs/dbraw/zinc/62/88/69/555628869.db2.gz CUBFWXVCHJHZTR-DEOSSOPVSA-N 0 0 473.581 2.525 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCc2ccccc2C1)OCO3 ZINC000020080806 555629833 /nfs/dbraw/zinc/62/98/33/555629833.db2.gz HBZWGWGVYPXUBG-CYFREDJKSA-N 0 0 486.532 2.570 40 0 JFABRN C[C@@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000010119312 555630084 /nfs/dbraw/zinc/63/00/84/555630084.db2.gz XBCIMBODQAREIZ-CQSZACIVSA-N 0 0 456.973 2.501 40 0 JFABRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000010157523 555638465 /nfs/dbraw/zinc/63/84/65/555638465.db2.gz XKNMFHHDWSQDOX-NHCUHLMSSA-N 0 0 470.957 2.877 40 0 JFABRN COc1ccc(NC(=O)N(CCN2CCOCC2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000020109220 555644975 /nfs/dbraw/zinc/64/49/75/555644975.db2.gz JENMGPWQLSDTAI-UHFFFAOYSA-N 0 0 466.538 2.912 40 0 JFABRN COCCn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000020109349 555645176 /nfs/dbraw/zinc/64/51/76/555645176.db2.gz VZYJEMXYCBICQL-UHFFFAOYSA-N 0 0 492.580 2.732 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(Br)cc2)C1C(=O)c1ccc(OC)cc1 ZINC000010231885 555655286 /nfs/dbraw/zinc/65/52/86/555655286.db2.gz SBIUVXOKGOUZEZ-QGZVFWFLSA-N 0 0 470.283 2.769 40 0 JFABRN COc1ccc(CCN2CCCn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1OC ZINC000010250105 555660592 /nfs/dbraw/zinc/66/05/92/555660592.db2.gz LGSMCDVEDIJTIA-UHFFFAOYSA-N 0 0 489.576 2.723 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020150579 555666729 /nfs/dbraw/zinc/66/67/29/555666729.db2.gz NKHFTZBGCLGXNM-QPXQOZNCSA-N 0 0 458.511 2.646 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(O)c(OC)c2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000020150661 555667010 /nfs/dbraw/zinc/66/70/10/555667010.db2.gz NXIQXVHLXVZLII-IZZGNVEXSA-N 0 0 484.574 2.824 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCSCc1ccccc1F ZINC000010282131 555672876 /nfs/dbraw/zinc/67/28/76/555672876.db2.gz CSBNYCLNYORZIE-UHFFFAOYSA-N 0 0 452.573 2.818 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1 ZINC000010288448 555674132 /nfs/dbraw/zinc/67/41/32/555674132.db2.gz XKQAYKPRNHQYSO-SFHVURJKSA-N 0 0 499.614 2.579 40 0 JFABRN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(CCN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1 ZINC000020160299 555677019 /nfs/dbraw/zinc/67/70/19/555677019.db2.gz VRKFEYJZNXVQPA-JENJCCCWSA-N 0 0 453.627 2.768 40 0 JFABRN COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1 ZINC000010303150 555678567 /nfs/dbraw/zinc/67/85/67/555678567.db2.gz VYBSDFTVLYYFQY-UHFFFAOYSA-N 0 0 450.488 2.660 40 0 JFABRN COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)c1 ZINC000010303106 555678595 /nfs/dbraw/zinc/67/85/95/555678595.db2.gz IKDVNRZXHGDULM-UHFFFAOYSA-N 0 0 452.504 2.891 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000010330621 555687445 /nfs/dbraw/zinc/68/74/45/555687445.db2.gz XTMNRUYNCCOKAY-HNNXBMFYSA-N 0 0 498.001 2.908 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000010332896 555688566 /nfs/dbraw/zinc/68/85/66/555688566.db2.gz FGZBDXUDWKLSBM-UHFFFAOYSA-N 0 0 476.551 2.962 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1Cl ZINC000010333852 555689110 /nfs/dbraw/zinc/68/91/10/555689110.db2.gz GOTCMRBFZNHTHQ-ZDUSSCGKSA-N 0 0 490.003 2.538 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000010542015 555725189 /nfs/dbraw/zinc/72/51/89/555725189.db2.gz WPOXFRPWZILKCX-UHFFFAOYSA-N 0 0 460.552 2.611 40 0 JFABRN CC(C)C[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000014202243 555733823 /nfs/dbraw/zinc/73/38/23/555733823.db2.gz NMJJOECAJJFSQG-KANFNMMFSA-N 0 0 470.522 2.694 40 0 JFABRN O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccc2c(c1)OCCO2 ZINC000014269080 555757641 /nfs/dbraw/zinc/75/76/41/555757641.db2.gz JVTCJNRHSVLFQJ-UHFFFAOYSA-N 0 0 473.423 2.990 40 0 JFABRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000014271716 555767160 /nfs/dbraw/zinc/76/71/60/555767160.db2.gz PEDSMLDSIQUYNE-UHFFFAOYSA-N 0 0 456.568 2.889 40 0 JFABRN CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc5c(c4)OCCO5)cc3)nn12 ZINC000014274099 555775679 /nfs/dbraw/zinc/77/56/79/555775679.db2.gz LLCBIOIYDLLABN-UHFFFAOYSA-N 0 0 480.575 2.991 40 0 JFABRN CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1 ZINC000014276960 555784837 /nfs/dbraw/zinc/78/48/37/555784837.db2.gz DJBYSEPGQIRUJF-UHFFFAOYSA-N 0 0 474.970 2.907 40 0 JFABRN CN(Cc1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)S(C)(=O)=O ZINC000014400198 555805524 /nfs/dbraw/zinc/80/55/24/555805524.db2.gz GJVQDEXZCSNDKE-UHFFFAOYSA-N 0 0 485.528 2.824 40 0 JFABRN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)CC1 ZINC000014400382 555805958 /nfs/dbraw/zinc/80/59/58/555805958.db2.gz KVODZETXVAQIFY-UHFFFAOYSA-N 0 0 452.573 2.531 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000014400903 555806598 /nfs/dbraw/zinc/80/65/98/555806598.db2.gz PNCSHPQFVOJFSM-UHFFFAOYSA-N 0 0 461.584 2.865 40 0 JFABRN Nn1c(SCC(=O)Nc2ccc(I)cc2)nnc1-c1ccccc1 ZINC000014406131 555808277 /nfs/dbraw/zinc/80/82/77/555808277.db2.gz RHVAISXDJJGQDZ-UHFFFAOYSA-N 0 0 451.293 2.994 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000014410752 555809753 /nfs/dbraw/zinc/80/97/53/555809753.db2.gz YPQCKPWWKBMHKJ-UHFFFAOYSA-N 0 0 467.547 2.897 40 0 JFABRN O=C(OC[C@]1(O)[C@H](OC(=O)c2ccccc2)C=C[C@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 ZINC000014489553 555814847 /nfs/dbraw/zinc/81/48/47/555814847.db2.gz UEYWXBQABUNMMN-IMBSWCNGSA-N 0 0 488.492 2.956 40 0 biogenic,in-vitro JFABRN COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(C(=O)OC)c1 ZINC000015012489 555854350 /nfs/dbraw/zinc/85/43/50/555854350.db2.gz MONSMICLJMLSKF-UHFFFAOYSA-N 0 0 474.535 2.608 40 0 JFABRN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC000022053208 555866553 /nfs/dbraw/zinc/86/65/53/555866553.db2.gz OERLMOWQSLSEPI-KRWDZBQOSA-N 0 0 464.551 2.589 40 0 JFABRN COC(=O)C1=C(NCCc2ccc(OC)c(OC)c2)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccccc1 ZINC000022146303 555881477 /nfs/dbraw/zinc/88/14/77/555881477.db2.gz CHCBNBXOVYBRHA-CAKYRVLISA-N 0 0 483.561 2.991 40 0 JFABRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000015198693 555884078 /nfs/dbraw/zinc/88/40/78/555884078.db2.gz OFGVHCZRTLJQGO-DOTOQJQBSA-N 0 0 468.572 2.507 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000015224745 555886431 /nfs/dbraw/zinc/88/64/31/555886431.db2.gz GZVLBSPZJZMEDJ-YOKWNPFVSA-N 0 0 495.601 2.771 40 0 JFABRN CCOC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000022227881 555886734 /nfs/dbraw/zinc/88/67/34/555886734.db2.gz FENVOPFEELBLEH-UHFFFAOYSA-N 0 0 495.623 2.951 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000022227941 555886954 /nfs/dbraw/zinc/88/69/54/555886954.db2.gz UGMXDOPJURJIII-UHFFFAOYSA-N 0 0 461.005 2.900 40 0 JFABRN C[C@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccccc1 ZINC000022228331 555887310 /nfs/dbraw/zinc/88/73/10/555887310.db2.gz ZQJLNGWRUIBQGK-SFHVURJKSA-N 0 0 457.596 2.834 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000022229254 555888126 /nfs/dbraw/zinc/88/81/26/555888126.db2.gz RKCYPWFMAKIYND-UHFFFAOYSA-N 0 0 467.975 2.677 40 0 JFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000022230074 555888874 /nfs/dbraw/zinc/88/88/74/555888874.db2.gz IIRMIABKRCSHSO-NRFANRHFSA-N 0 0 461.559 2.645 40 0 JFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000022230056 555888892 /nfs/dbraw/zinc/88/88/92/555888892.db2.gz WLJKMZYTPZHXQD-QFIPXVFZSA-N 0 0 457.596 2.501 40 0 JFABRN COC(=O)[C@@H](C)[C@H]1c2cc(Br)cc(Br)c2OC(=O)[C@@H]1C(=O)OC ZINC000015276710 555892205 /nfs/dbraw/zinc/89/22/05/555892205.db2.gz WTTLFVLYQYOQPQ-CYUDJLOBSA-N 0 0 450.079 2.813 40 0 JFABRN COc1ccc(C(NC(=O)CSC2=NCCS2)NC(=O)CSC2=NCCS2)cc1 ZINC000012042521 555894794 /nfs/dbraw/zinc/89/47/94/555894794.db2.gz OIZFBSICKMRDJS-UHFFFAOYSA-N 0 0 470.667 2.598 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(C)c2)CC1 ZINC000022247187 555897245 /nfs/dbraw/zinc/89/72/45/555897245.db2.gz UERKLBUTAPLEGV-JOCHJYFZSA-N 0 0 488.606 2.695 40 0 JFABRN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000015372355 555901255 /nfs/dbraw/zinc/90/12/55/555901255.db2.gz HWNICDWRJXRUKT-CYBMUJFWSA-N 0 0 463.364 2.711 40 0 JFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000022253121 555901296 /nfs/dbraw/zinc/90/12/96/555901296.db2.gz ILMPGGHLFDCYBN-CQSZACIVSA-N 0 0 466.556 2.998 40 0 JFABRN O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000015372356 555901378 /nfs/dbraw/zinc/90/13/78/555901378.db2.gz HWNICDWRJXRUKT-ZDUSSCGKSA-N 0 0 463.364 2.711 40 0 JFABRN COc1cc(C(=O)NCCCn2ccnc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254690 555903258 /nfs/dbraw/zinc/90/32/58/555903258.db2.gz NHNMSCRNZWDAKQ-UHFFFAOYSA-N 0 0 490.557 2.826 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1C ZINC000022268213 555906998 /nfs/dbraw/zinc/90/69/98/555906998.db2.gz ZRJFLWJPCDNNNI-QFIPXVFZSA-N 0 0 453.564 2.995 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1C ZINC000022268216 555907025 /nfs/dbraw/zinc/90/70/25/555907025.db2.gz ZRJFLWJPCDNNNI-JOCHJYFZSA-N 0 0 453.564 2.995 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015579529 555916633 /nfs/dbraw/zinc/91/66/33/555916633.db2.gz NPZJOHBHQXQLTL-KRWDZBQOSA-N 0 0 495.598 2.650 40 0 JFABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015639341 555921217 /nfs/dbraw/zinc/92/12/17/555921217.db2.gz AJFYMJQTGHNKAF-HKUYNNGSSA-N 0 0 489.569 2.774 40 0 JFABRN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000015638384 555921339 /nfs/dbraw/zinc/92/13/39/555921339.db2.gz GMERPIXLZUOAFX-GOSISDBHSA-N 0 0 457.552 2.632 40 0 JFABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015638768 555921392 /nfs/dbraw/zinc/92/13/92/555921392.db2.gz KEXVYALICKDTMW-IBGZPJMESA-N 0 0 471.579 2.635 40 0 JFABRN CC(=O)Nc1ccc(CN2C[C@H](O)C[C@H]2c2nc(CS(=O)(=O)c3ccc(C)cc3)no2)cc1 ZINC000015674578 555933389 /nfs/dbraw/zinc/93/33/89/555933389.db2.gz JUZMXKCLHBBCTJ-CTNGQTDRSA-N 0 0 470.551 2.618 40 0 biogenic,in-vitro JFABRN O=C([C@H]1COc2ccccc2O1)N1CCN([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000022748289 555951654 /nfs/dbraw/zinc/95/16/54/555951654.db2.gz FLFHCZZAFBFTLF-YLJYHZDGSA-N 0 0 490.343 2.610 40 0 JFABRN O=C(Nc1cccc(Cl)c1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCc4ccccc43)N2C1 ZINC000015707603 555952905 /nfs/dbraw/zinc/95/29/05/555952905.db2.gz AKZXAYBHFFROGZ-VWPQPMDRSA-N 0 0 481.984 2.772 40 0 biogenic,in-vitro JFABRN COc1ccc(OC)c([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)c1 ZINC000022929061 555980904 /nfs/dbraw/zinc/98/09/04/555980904.db2.gz QWYXOPHCPNTHRT-WIOPSUGQSA-N 0 0 478.597 2.777 40 0 JFABRN O=c1[nH]c(NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2c1CCCC2 ZINC000015879939 556051731 /nfs/dbraw/zinc/05/17/31/556051731.db2.gz WXUTWUORQITYAT-UHFFFAOYSA-N 0 0 456.490 2.933 40 0 JFABRN Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(S(=O)(=O)c4ccc(F)cc4)C2)[nH]c3=O)cc1 ZINC000015907279 556064353 /nfs/dbraw/zinc/06/43/53/556064353.db2.gz FFFHDMNFWLPUOI-QGZVFWFLSA-N 0 0 482.541 2.579 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1F)c1ccc(Cl)cc1 ZINC000023510978 556076294 /nfs/dbraw/zinc/07/62/94/556076294.db2.gz WDALKMWVTOJGRC-UHFFFAOYSA-N 0 0 455.939 2.732 40 0 JFABRN COc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1S(=O)(=O)N(C)C ZINC000015949917 556086475 /nfs/dbraw/zinc/08/64/75/556086475.db2.gz WBHAZNDNAAXJIQ-UHFFFAOYSA-N 0 0 451.976 2.870 40 0 JFABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc2c1nnn2Cc1ccccc1 ZINC000015987568 556101564 /nfs/dbraw/zinc/10/15/64/556101564.db2.gz IAJXZQNVWNPROF-UHFFFAOYSA-N 0 0 450.524 2.544 40 0 JFABRN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016012088 556111045 /nfs/dbraw/zinc/11/10/45/556111045.db2.gz PQBZPXSNEYDBOO-DRMCAJHRSA-N 0 0 474.344 2.603 40 0 JFABRN NC(=S)C1=C(N)n2c(=O)c(=Cc3ccccc3)sc2=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000016451032 556139791 /nfs/dbraw/zinc/13/97/91/556139791.db2.gz JAVKNELOGNMKGX-UZLGTAQGSA-N 0 0 495.629 2.983 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000016688848 556152487 /nfs/dbraw/zinc/15/24/87/556152487.db2.gz DFHMKKZXOKHPAR-XOYGFPHKSA-N 0 0 494.569 2.911 40 0 JFABRN O=C(NCc1ccccc1CN1CCCC1=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000025009397 556172080 /nfs/dbraw/zinc/17/20/80/556172080.db2.gz ZKHQURWUHRRIFD-OAQYLSRUSA-N 0 0 455.580 2.526 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013024468 556214538 /nfs/dbraw/zinc/21/45/38/556214538.db2.gz JGQAOSFTVQGUCN-HSZRJFAPSA-N 0 0 467.570 2.961 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1cc(OC)cc(OC)c1 ZINC000013029614 556224149 /nfs/dbraw/zinc/22/41/49/556224149.db2.gz DCPSXSSWZLALSY-RUZDIDTESA-N 0 0 495.580 2.724 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccc(OC)cc1OC ZINC000013030482 556225654 /nfs/dbraw/zinc/22/56/54/556225654.db2.gz GEOCDRBLZMZGKC-VWLOTQADSA-N 0 0 497.596 2.827 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000025767314 556233065 /nfs/dbraw/zinc/23/30/65/556233065.db2.gz PLUNMWPHJXGSQI-UHFFFAOYSA-N 0 0 475.586 2.579 40 0 JFABRN COc1ccc(C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)cc1Br ZINC000025819832 556237226 /nfs/dbraw/zinc/23/72/26/556237226.db2.gz DCHPOSIGCYHWGL-UHFFFAOYSA-N 0 0 462.344 2.772 40 0 JFABRN CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)S(C)(=O)=O ZINC000026111388 556243144 /nfs/dbraw/zinc/24/31/44/556243144.db2.gz QJGSQLARBJGGFM-UHFFFAOYSA-N 0 0 465.597 2.899 40 0 JFABRN O=C([C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CC(=O)Nc2ccccc21 ZINC000026113335 556244454 /nfs/dbraw/zinc/24/44/54/556244454.db2.gz GCENIXIYFMGIQE-JOCHJYFZSA-N 0 0 463.515 2.769 40 0 JFABRN CSc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1C(=O)N1CCOCC1 ZINC000026117416 556246986 /nfs/dbraw/zinc/24/69/86/556246986.db2.gz AXASPRYEJOFTDV-UHFFFAOYSA-N 0 0 456.611 2.686 40 0 JFABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000013057007 556252095 /nfs/dbraw/zinc/25/20/95/556252095.db2.gz SRAOSMPBFFMRKS-FCEWJHQRSA-N 0 0 472.449 2.696 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](c2ccccn2)N2CCN(c3ccccc3)CC2)cc1 ZINC000026438988 556253855 /nfs/dbraw/zinc/25/38/55/556253855.db2.gz GGTZZHXLWIJQOL-DEOSSOPVSA-N 0 0 489.605 2.720 40 0 JFABRN C[C@H]1[C@H](NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCC[C@@H]1C ZINC000013062944 556258728 /nfs/dbraw/zinc/25/87/28/556258728.db2.gz XVTKPDRTPMVUTO-RZQQEMMASA-N 0 0 454.564 2.711 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000026770651 556260577 /nfs/dbraw/zinc/26/05/77/556260577.db2.gz FEVPWVNKYYOXAP-HSZRJFAPSA-N 0 0 485.606 2.512 40 0 JFABRN CC[C@@H](c1nnnn1CCOC)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064483 556261916 /nfs/dbraw/zinc/26/19/16/556261916.db2.gz DODMSWRXUIVMGT-FQEVSTJZSA-N 0 0 468.558 2.828 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@H](Cc3ccc(F)cc3)NC(C)=O)CC2)c1 ZINC000013084814 556282284 /nfs/dbraw/zinc/28/22/84/556282284.db2.gz ZTMLRHRDQNNYSA-QFIPXVFZSA-N 0 0 456.518 2.694 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3OC)CC2)cc1 ZINC000013085173 556283227 /nfs/dbraw/zinc/28/32/27/556283227.db2.gz IUHPLJCHYDLJIN-QFIPXVFZSA-N 0 0 468.554 2.564 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@@H](Cc3ccc(OC)cc3OC)NC(C)=O)CC2)c1 ZINC000013085346 556283806 /nfs/dbraw/zinc/28/38/06/556283806.db2.gz YMUJVYWPHKLCPL-HSZRJFAPSA-N 0 0 498.580 2.572 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(OC)c1 ZINC000013085355 556283855 /nfs/dbraw/zinc/28/38/55/556283855.db2.gz AYDPSVVZHHSWSD-JOCHJYFZSA-N 0 0 486.544 2.703 40 0 JFABRN COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3F)CC2)cc(OC)c1 ZINC000013085522 556284339 /nfs/dbraw/zinc/28/43/39/556284339.db2.gz KBDGOSAVPYWULT-QHCPKHFHSA-N 0 0 486.544 2.703 40 0 JFABRN COC(=O)c1ccccc1NC(=O)CSc1nnc2n(CC(=O)N3CCCC3)c3ccccc3n12 ZINC000013085582 556284596 /nfs/dbraw/zinc/28/45/96/556284596.db2.gz FYWTUHUHLKSLHG-UHFFFAOYSA-N 0 0 492.561 2.824 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000018217463 556312055 /nfs/dbraw/zinc/31/20/55/556312055.db2.gz AYMBCWITCXMIHQ-QFIPXVFZSA-N 0 0 478.014 2.642 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 ZINC000028207242 556317863 /nfs/dbraw/zinc/31/78/63/556317863.db2.gz MEBJHBFXGOEQLO-UHFFFAOYSA-N 0 0 460.293 2.559 40 0 JFABRN CCOc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(OC)cc2)ccc1O ZINC000013116488 556324679 /nfs/dbraw/zinc/32/46/79/556324679.db2.gz KGUWKAPJHDUIMD-SQGPQFPESA-N 0 0 454.401 2.903 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000019235603 556336707 /nfs/dbraw/zinc/33/67/07/556336707.db2.gz WUGHXIBKFNTUMD-VWLOTQADSA-N 0 0 487.608 2.998 40 0 JFABRN Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c12 ZINC000019236403 556336981 /nfs/dbraw/zinc/33/69/81/556336981.db2.gz DZOGFCPFTIZXOT-NRFANRHFSA-N 0 0 475.553 2.718 40 0 JFABRN O=C(NC1CCCCC1)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019292520 556338113 /nfs/dbraw/zinc/33/81/13/556338113.db2.gz OQPYLYRHOKCMOX-UHFFFAOYSA-N 0 0 470.570 2.823 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000028808097 556341684 /nfs/dbraw/zinc/34/16/84/556341684.db2.gz OUMYZJGKVBEPAA-UHFFFAOYSA-N 0 0 493.607 2.797 40 0 JFABRN O=C(NCc1ccccc1)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019372677 556347454 /nfs/dbraw/zinc/34/74/54/556347454.db2.gz OYULKTMIBBHGLG-UHFFFAOYSA-N 0 0 478.549 2.691 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)cc(C)c3[nH]c2=O)N2CCOCC2)cc1 ZINC000019568203 556354882 /nfs/dbraw/zinc/35/48/82/556354882.db2.gz PLAXJPOQMAQNTO-QHCPKHFHSA-N 0 0 460.538 2.610 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000029716267 556356141 /nfs/dbraw/zinc/35/61/41/556356141.db2.gz VYDBIMCRTSYLOY-UHFFFAOYSA-N 0 0 478.014 2.887 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000029882385 556359709 /nfs/dbraw/zinc/35/97/09/556359709.db2.gz QAHTZAUOIPAFMV-NRFANRHFSA-N 0 0 492.041 2.889 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000030856171 556380183 /nfs/dbraw/zinc/38/01/83/556380183.db2.gz LWRLEMSSLADMBX-KRWDZBQOSA-N 0 0 495.623 2.581 40 0 JFABRN CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN1CCOCC1 ZINC000030879933 556386033 /nfs/dbraw/zinc/38/60/33/556386033.db2.gz NLWPNVZRCUPTNL-FIXSFTCYSA-N 0 0 477.671 2.658 40 0 biogenic,in-vitro JFABRN COc1ccc(S(=O)(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CCN(C)CC3)C[C@H]2C(C)C)cc1 ZINC000030880739 556386317 /nfs/dbraw/zinc/38/63/17/556386317.db2.gz JMCBNLZCBWQUPH-HFMPRLQTSA-N 0 0 477.671 2.992 40 0 biogenic,in-vitro JFABRN COC(=O)c1c(C)nc2ccn(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1-c1ccc(OC)cc1 ZINC000019819289 556387697 /nfs/dbraw/zinc/38/76/97/556387697.db2.gz JQRZRIANUADBCT-UHFFFAOYSA-N 0 0 479.514 2.804 40 0 JFABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1C ZINC000019823529 556394095 /nfs/dbraw/zinc/39/40/95/556394095.db2.gz SDRBAMIEBBSPNC-QFIPXVFZSA-N 0 0 472.655 2.723 40 0 JFABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NC[C@H]3CCCO3)cc12 ZINC000019824189 556395091 /nfs/dbraw/zinc/39/50/91/556395091.db2.gz FIOPDOQCSNSZEN-OAQYLSRUSA-N 0 0 472.655 2.723 40 0 JFABRN Cc1cc2cc(CN(CCCN3CCOCC3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000019824349 556395407 /nfs/dbraw/zinc/39/54/07/556395407.db2.gz GBORAYLNSOIESN-JOCHJYFZSA-N 0 0 472.655 2.723 40 0 JFABRN CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(OCCCOc2ccc(NC(=O)C=CC(=O)[O-])cc2)c1 ZINC000031938849 556411629 /nfs/dbraw/zinc/41/16/29/556411629.db2.gz CUECVWQONYWKTH-QXMHVHEDSA-N 0 0 480.525 2.719 40 0 JFABRN O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514289848 560031771 /nfs/dbraw/zinc/03/17/71/560031771.db2.gz PEXKOLFEKXGUJE-FGZHOGPDSA-N 0 0 459.512 2.780 40 0 biogenic,in-vitro JFABRN O=C(Cc1ccccc1)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 ZINC000225428093 560042933 /nfs/dbraw/zinc/04/29/33/560042933.db2.gz WIRPKBMLSPBECZ-UHFFFAOYSA-N 0 0 477.634 2.913 40 0 biogenic,in-vitro JFABRN Cc1cc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3CCCc3ccccc3)cc2)n(C)n1 ZINC000077262218 560046718 /nfs/dbraw/zinc/04/67/18/560046718.db2.gz URKNOEQRXOVOCD-ILBGXUMGSA-N 0 0 462.550 2.874 40 0 biogenic,in-vitro JFABRN COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)Nc3c(C)noc3C)CN(C)C(=O)C2)cc1 ZINC000096113379 560060448 /nfs/dbraw/zinc/06/04/48/560060448.db2.gz LZVTYPRLBVUYCE-RTBURBONSA-N 0 0 471.558 2.755 40 0 biogenic,in-vitro JFABRN CN(Cc1cccnc1)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c2OCO3)CN(C)C(=O)C1 ZINC000096113472 560061234 /nfs/dbraw/zinc/06/12/34/560061234.db2.gz JXONKHOTOQJMAF-TZIWHRDSSA-N 0 0 452.555 2.576 40 0 biogenic,in-vitro JFABRN COC(=O)c1ccccc1S(=O)(=O)N(CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000008586359 562940986 /nfs/dbraw/zinc/94/09/86/562940986.db2.gz AWYYDNCWTFUSNE-UHFFFAOYSA-N 0 0 458.536 2.505 40 0 JFABRN COc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1 ZINC000008666911 562948958 /nfs/dbraw/zinc/94/89/58/562948958.db2.gz ANNBSFWLDYRPAN-QHCPKHFHSA-N 0 0 460.538 2.724 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCCCCC1)OCCO3 ZINC000008677428 562950690 /nfs/dbraw/zinc/95/06/90/562950690.db2.gz XXLFWQIECRDDGJ-VGOFRKELSA-N 0 0 466.542 2.843 40 0 JFABRN Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F ZINC000034997404 563118123 /nfs/dbraw/zinc/11/81/23/563118123.db2.gz ORVNHOYNEHYKJG-UHFFFAOYSA-N 0 0 456.424 2.939 40 0 investigational JFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccncc2)cc1OC ZINC000059444202 569603987 /nfs/dbraw/zinc/60/39/87/569603987.db2.gz BVOYBYHTLSMFQA-UHFFFAOYSA-N 0 0 469.563 2.649 40 0 JFABRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000033668718 569630435 /nfs/dbraw/zinc/63/04/35/569630435.db2.gz GVVKZVMHQXYJGB-NVNXTCNLSA-N 0 0 492.868 2.763 40 0 JFABRN COc1ccc(CC(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(OC)cc3)n2C)cc1 ZINC000033760750 569633773 /nfs/dbraw/zinc/63/37/73/569633773.db2.gz LPOJLEILNQEVMY-OAHLLOKOSA-N 0 0 469.567 2.983 40 0 JFABRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCC ZINC000033870972 569636691 /nfs/dbraw/zinc/63/66/91/569636691.db2.gz SETPVBFWVCEABY-ZSOIEALJSA-N 0 0 459.411 2.865 40 0 JFABRN CC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000033937150 569638438 /nfs/dbraw/zinc/63/84/38/569638438.db2.gz BMSVTIBRIMWQGY-QKNQBKEWSA-N 0 0 496.568 2.555 40 0 JFABRN CC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n12 ZINC000034898284 569669663 /nfs/dbraw/zinc/66/96/63/569669663.db2.gz LZNSQADIXDQQRT-OFBQMZFBSA-N 0 0 456.527 2.665 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)o1 ZINC000035058825 569674156 /nfs/dbraw/zinc/67/41/56/569674156.db2.gz XFFBCGUNQOZICE-UNOMPAQXSA-N 0 0 462.462 2.961 40 0 JFABRN CCOc1ccc(NC(=O)CSc2nnc([C@@H](CO)NC(=O)c3ccc(OC)cc3)n2CC)cc1 ZINC000035087188 569674604 /nfs/dbraw/zinc/67/46/04/569674604.db2.gz GEDLCLHVMUTDIS-HXUWFJFHSA-N 0 0 499.593 2.900 40 0 JFABRN O=C(CSCc1nc2c(nnn2Cc2ccc(F)cc2)c(=O)[nH]1)Nc1ccc2c(c1)OCCO2 ZINC000035310823 569680158 /nfs/dbraw/zinc/68/01/58/569680158.db2.gz GBQCHSKPBWSSJX-UHFFFAOYSA-N 0 0 482.497 2.757 40 0 JFABRN O=c1[nH]c(Cn2nnc(-c3ccc(Cl)cc3)n2)nc2c1nnn2Cc1ccccc1Cl ZINC000035315962 569680474 /nfs/dbraw/zinc/68/04/74/569680474.db2.gz LMPLHXKMIUBDOM-UHFFFAOYSA-N 0 0 454.281 2.984 40 0 JFABRN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)[C@](C)(O)C[C@]12NNC(=S)N2 ZINC000035323697 569680686 /nfs/dbraw/zinc/68/06/86/569680686.db2.gz JLEORZPEHVPALO-WSMBEVRASA-N 0 0 477.627 2.519 40 0 JFABRN Cn1c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)cc2n(C)c1=O ZINC000035352275 569681730 /nfs/dbraw/zinc/68/17/30/569681730.db2.gz OCPDRFIGCZFOAC-CAOOACKPSA-N 0 0 458.446 2.830 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 ZINC000069525641 569693197 /nfs/dbraw/zinc/69/31/97/569693197.db2.gz JHTUYMFJRBBJIM-OAHLLOKOSA-N 0 0 494.953 2.953 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](c2cccc(C(F)(F)F)c2)N2CCC(O)CC2)cc1 ZINC000072189937 569699864 /nfs/dbraw/zinc/69/98/64/569699864.db2.gz WNCFHXSSSJYRPP-HXUWFJFHSA-N 0 0 495.527 2.978 40 0 JFABRN COc1ccc2c(c1OC)C(=O)N1CCc3c(Br)c(OC)c4c(c3[C@@H]1[C@H]2O)OCO4 ZINC000095470468 569723316 /nfs/dbraw/zinc/72/33/16/569723316.db2.gz KXRBFODKEMDLDG-CVEARBPZSA-N 0 0 478.295 2.990 40 0 JFABRN CC[C@@H](c1nnnn1Cc1ccco1)N(CCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000095546557 569727146 /nfs/dbraw/zinc/72/71/46/569727146.db2.gz HULVQJORACSXAQ-DEOSSOPVSA-N 0 0 491.596 2.750 40 0 JFABRN CC[C@H](c1nnnn1Cc1ccco1)N(CCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000095546558 569727150 /nfs/dbraw/zinc/72/71/50/569727150.db2.gz HULVQJORACSXAQ-XMMPIXPASA-N 0 0 491.596 2.750 40 0 JFABRN CCC(C)(C)n1nnnc1CN(CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000095549335 569727472 /nfs/dbraw/zinc/72/74/72/569727472.db2.gz HELXNQMOBLXBEP-UHFFFAOYSA-N 0 0 467.618 2.693 40 0 JFABRN COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4nccs4)CC3)O2)cc1 ZINC000096036690 569732238 /nfs/dbraw/zinc/73/22/38/569732238.db2.gz FHOGHPZVRKBSIT-LJQANCHMSA-N 0 0 453.568 2.555 40 0 JFABRN COc1ccc(NC(=O)c2ccc3nnc([C@H]4CN(Cc5ccccn5)CCN4C)n3c2)cc1 ZINC000096156666 569736877 /nfs/dbraw/zinc/73/68/77/569736877.db2.gz IEMYDVXKDAHOOR-JOCHJYFZSA-N 0 0 457.538 2.874 40 0 JFABRN CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCCc4cccc(F)c4)cc32)n1 ZINC000096156481 569736888 /nfs/dbraw/zinc/73/68/88/569736888.db2.gz IXCKHWQWDKSBMI-HXUWFJFHSA-N 0 0 471.558 2.882 40 0 JFABRN COc1ccc(C(=O)OCCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000035986613 569742949 /nfs/dbraw/zinc/74/29/49/569742949.db2.gz OWSFQFXEIQLAIK-UHFFFAOYSA-N 0 0 462.568 2.566 40 0 JFABRN COc1ccc(OCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)cc1 ZINC000101189709 569786596 /nfs/dbraw/zinc/78/65/96/569786596.db2.gz RCAMGANXAWQMTD-UHFFFAOYSA-N 0 0 453.568 2.844 40 0 JFABRN Cc1ccc(S(=O)(=O)c2cnn3c2ncc(S(=O)(=O)c2ccc(Cl)cc2)c3N)cc1 ZINC000101411447 569797122 /nfs/dbraw/zinc/79/71/22/569797122.db2.gz WTBLBLMELVODLH-UHFFFAOYSA-N 0 0 462.940 2.769 40 0 JFABRN O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000101435244 569797564 /nfs/dbraw/zinc/79/75/64/569797564.db2.gz AKKHDPUATIDSNS-DKXQDJALSA-N 0 0 462.594 2.688 40 0 JFABRN C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)N1CCc2ccccc2C1 ZINC000101482413 569799314 /nfs/dbraw/zinc/79/93/14/569799314.db2.gz ILRSWSUDULNORQ-JAXLGGSGSA-N 0 0 483.634 2.861 40 0 JFABRN C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)N(C)Cc1ccccc1 ZINC000101491509 569799895 /nfs/dbraw/zinc/79/98/95/569799895.db2.gz ZIWDPPPRFAVMOR-JAXLGGSGSA-N 0 0 471.623 2.935 40 0 JFABRN Cc1cc(NC(=O)COc2cccc([C@@H]3CC(=O)N=C4NC=NN43)c2)ccc1Br ZINC000038199404 569800567 /nfs/dbraw/zinc/80/05/67/569800567.db2.gz UGJUMQHTQLIHKQ-KRWDZBQOSA-N 0 0 456.300 2.951 40 0 JFABRN O=C(COc1ccccc1[C@@H]1CC(=O)N=C2NC=NN21)Nc1ccc(Br)cc1F ZINC000038199673 569800801 /nfs/dbraw/zinc/80/08/01/569800801.db2.gz KIFASWZOXIJDOW-HNNXBMFYSA-N 0 0 460.263 2.782 40 0 JFABRN COc1ccc(NC(=O)COc2ccc(Br)cc2[C@H]2CC(=O)N=C3NC=NN32)cc1 ZINC000038200240 569800823 /nfs/dbraw/zinc/80/08/23/569800823.db2.gz YEHURFHQHZLYIZ-MRXNPFEDSA-N 0 0 472.299 2.651 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000038754765 569806815 /nfs/dbraw/zinc/80/68/15/569806815.db2.gz DVLFLWIHNISXNJ-KRWDZBQOSA-N 0 0 497.639 2.792 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000038754767 569806824 /nfs/dbraw/zinc/80/68/24/569806824.db2.gz DVLFLWIHNISXNJ-QGZVFWFLSA-N 0 0 497.639 2.792 40 0 JFABRN NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000038773222 569807909 /nfs/dbraw/zinc/80/79/09/569807909.db2.gz TYVOPLASFKHHDO-UHFFFAOYSA-N 0 0 480.384 2.729 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1C ZINC000039986222 569813124 /nfs/dbraw/zinc/81/31/24/569813124.db2.gz HUCCKOFIIOORGK-UHFFFAOYSA-N 0 0 492.550 2.616 40 0 JFABRN CCN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039986903 569813312 /nfs/dbraw/zinc/81/33/12/569813312.db2.gz DUKLUGFQHHCCIY-UHFFFAOYSA-N 0 0 495.601 2.924 40 0 JFABRN COCc1nn2c(nnc3c2ccn(NC(=O)c2ccc(OC)cc2)c3=O)c1-c1ccccc1 ZINC000040391283 569825320 /nfs/dbraw/zinc/82/53/20/569825320.db2.gz ULQPHLDYTQEZHR-UHFFFAOYSA-N 0 0 456.462 2.645 40 0 JFABRN Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000103088386 569832806 /nfs/dbraw/zinc/83/28/06/569832806.db2.gz JTCHJFDYRGHTST-UPCARPLXSA-N 0 0 463.515 2.562 40 0 JFABRN O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N=c1sccn1Cc1ccccc1Cl ZINC000103126024 569833010 /nfs/dbraw/zinc/83/30/10/569833010.db2.gz GLTOSTQYDYFLMI-IGRHHKMISA-N 0 0 489.981 2.787 40 0 JFABRN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1OC ZINC000104126375 569841659 /nfs/dbraw/zinc/84/16/59/569841659.db2.gz CTPICXKAIHYEHS-RZXSNQJFSA-N 0 0 465.893 2.954 40 0 JFABRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000106375814 569854140 /nfs/dbraw/zinc/85/41/40/569854140.db2.gz JZTKDRRRVXOILW-AWEZNQCLSA-N 0 0 470.364 2.604 40 0 JFABRN CCOC(=O)COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OC ZINC000106756959 569855576 /nfs/dbraw/zinc/85/55/76/569855576.db2.gz OXSCTXUNAXVHNN-PDGQHHTCSA-N 0 0 462.524 2.686 40 0 JFABRN CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OCC ZINC000106769839 569855722 /nfs/dbraw/zinc/85/57/22/569855722.db2.gz YWLOPRARQPVPQJ-PDGQHHTCSA-N 0 0 462.524 2.686 40 0 JFABRN CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)CC1 ZINC000107681402 569856983 /nfs/dbraw/zinc/85/69/83/569856983.db2.gz TWSOAMBWBUOLRX-UHFFFAOYSA-N 0 0 475.567 2.784 40 0 JFABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)cc1 ZINC000107671212 569857003 /nfs/dbraw/zinc/85/70/03/569857003.db2.gz FSPCLHAECQJDTD-LJQANCHMSA-N 0 0 483.594 2.943 40 0 JFABRN CCc1ccc(NC(=O)CSc2nnc([C@H](CO)NC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000107836019 569857605 /nfs/dbraw/zinc/85/76/05/569857605.db2.gz ZZJIYSVHWWTPAH-IBGZPJMESA-N 0 0 469.567 2.580 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4nc(C)cc(=O)[nH]4)c3)C2)cc1 ZINC000108154761 569858868 /nfs/dbraw/zinc/85/88/68/569858868.db2.gz SVBQBUKYGIUKQX-GOSISDBHSA-N 0 0 482.562 2.793 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3OC(C)=O)C2=O)o1 ZINC000108223944 569859077 /nfs/dbraw/zinc/85/90/77/569859077.db2.gz WZZIIAFRXQVXSS-AUWJEWJLSA-N 0 0 493.266 2.856 40 0 JFABRN O=C(CN1C(=O)N/C(=C\c2ccccc2I)C1=O)Nc1ccc(F)cc1 ZINC000108927082 569859913 /nfs/dbraw/zinc/85/99/13/569859913.db2.gz OHSUYLGAHVBNQD-DHDCSXOGSA-N 0 0 465.222 2.962 40 0 JFABRN COc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000109477644 569860565 /nfs/dbraw/zinc/86/05/65/569860565.db2.gz HOOZUQGSNQSTAK-UHFFFAOYSA-N 0 0 484.578 2.830 40 0 JFABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)cc1Cl ZINC000110219623 569860742 /nfs/dbraw/zinc/86/07/42/569860742.db2.gz PFFBXDCILUNGEG-IUXPMGMMSA-N 0 0 475.910 2.888 40 0 JFABRN CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1 ZINC000113570569 569861922 /nfs/dbraw/zinc/86/19/22/569861922.db2.gz MWKYMZXCGYXLPL-ZDUSSCGKSA-N 0 0 450.465 2.885 40 0 in-vitro JFABRN Cc1ccccc1N(CCCC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000113968592 569862763 /nfs/dbraw/zinc/86/27/63/569862763.db2.gz IOHWVRDOZHDKTI-UHFFFAOYSA-N 0 0 459.568 2.652 40 0 JFABRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@@H](C(=O)OC(C)C)[C@@H]3C2=O)cc1 ZINC000138253307 569865769 /nfs/dbraw/zinc/86/57/69/569865769.db2.gz GQAKSUCFVQTQEH-KCQAQPDRSA-N 0 0 476.532 2.725 40 0 JFABRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@H](C(=O)OC(C)C)[C@@H]3C2=O)cc1 ZINC000138253427 569865786 /nfs/dbraw/zinc/86/57/86/569865786.db2.gz GQAKSUCFVQTQEH-GZBFAFLISA-N 0 0 476.532 2.725 40 0 JFABRN COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000138678741 569866252 /nfs/dbraw/zinc/86/62/52/569866252.db2.gz WDTWYFZBHANRNY-CYBMUJFWSA-N 0 0 480.304 2.677 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1 ZINC000138744137 569866340 /nfs/dbraw/zinc/86/63/40/569866340.db2.gz XJFNYDDLHLCRKU-IBGZPJMESA-N 0 0 466.490 2.991 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000138848896 569866474 /nfs/dbraw/zinc/86/64/74/569866474.db2.gz FZAOTMYGVMAMKJ-UHFFFAOYSA-N 0 0 458.467 2.781 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 ZINC000138872656 569866555 /nfs/dbraw/zinc/86/65/55/569866555.db2.gz FJWIJYGXZLPYAM-KRWDZBQOSA-N 0 0 454.479 2.795 40 0 JFABRN C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 ZINC000139087962 569867053 /nfs/dbraw/zinc/86/70/53/569867053.db2.gz NFSBORBXHQFVKS-BXUZGUMPSA-N 0 0 460.332 2.976 40 0 JFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cc(OC)ccc1OC)CC(=O)N2 ZINC000139118510 569867187 /nfs/dbraw/zinc/86/71/87/569867187.db2.gz CXCITGVSQUWLOC-UKRRQHHQSA-N 0 0 455.515 2.621 40 0 JFABRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)OCC)C1=O ZINC000205689891 569874123 /nfs/dbraw/zinc/87/41/23/569874123.db2.gz WEUPSHNYPGZURM-RIYZIHGNSA-N 0 0 472.313 2.990 40 0 JFABRN Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)N(C2CCCCC2)C2CCCCC2)N(C)S(=O)(=O)N1 ZINC000208532434 569875819 /nfs/dbraw/zinc/87/58/19/569875819.db2.gz GOZNFZDZAQSTHB-SFTDATJTSA-N 0 0 451.637 2.802 40 0 JFABRN COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2)cc1 ZINC000214658995 569876890 /nfs/dbraw/zinc/87/68/90/569876890.db2.gz CYGLAGKBXXSMSP-XSFVSMFZSA-N 0 0 482.514 2.810 40 0 JFABRN CCOC(=O)c1cc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)ccc1Cl ZINC000216414581 569878768 /nfs/dbraw/zinc/87/87/68/569878768.db2.gz QBHIJKKOINFXOF-UHFFFAOYSA-N 0 0 454.888 2.650 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c(Cl)c1 ZINC000216448304 569878925 /nfs/dbraw/zinc/87/89/25/569878925.db2.gz HVKTVYYFNYNLBJ-UHFFFAOYSA-N 0 0 457.911 2.907 40 0 JFABRN CCOc1ccc(CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1OC ZINC000216480265 569879095 /nfs/dbraw/zinc/87/90/95/569879095.db2.gz FBBGSCWRQGKLTE-UHFFFAOYSA-N 0 0 467.563 2.595 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222370714 569883970 /nfs/dbraw/zinc/88/39/70/569883970.db2.gz WVKBNFKSGLARAI-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222382869 569884007 /nfs/dbraw/zinc/88/40/07/569884007.db2.gz IKGDKTNJTKJBOH-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222393366 569884094 /nfs/dbraw/zinc/88/40/94/569884094.db2.gz KUDFIEXNJOURAU-QGZVFWFLSA-N 0 0 481.565 2.983 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222393230 569884097 /nfs/dbraw/zinc/88/40/97/569884097.db2.gz JQJDLMOEGQVSFM-HSZRJFAPSA-N 0 0 488.654 2.940 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222412980 569884162 /nfs/dbraw/zinc/88/41/62/569884162.db2.gz VWWHENADHLXEPD-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222412797 569884177 /nfs/dbraw/zinc/88/41/77/569884177.db2.gz PLPUAJCIRCSQHF-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222415598 569884184 /nfs/dbraw/zinc/88/41/84/569884184.db2.gz QZSCPYHZQQQVCX-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222436907 569884357 /nfs/dbraw/zinc/88/43/57/569884357.db2.gz IAQISMVHAWCKLI-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222450721 569884392 /nfs/dbraw/zinc/88/43/92/569884392.db2.gz IEQXEOGHEIKCGG-NRFANRHFSA-N 0 0 485.606 2.862 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222459250 569884405 /nfs/dbraw/zinc/88/44/05/569884405.db2.gz RCIJZMIGHKEIGZ-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000222460617 569884420 /nfs/dbraw/zinc/88/44/20/569884420.db2.gz OYRGQHAWWAWVDI-MRXNPFEDSA-N 0 0 485.528 2.943 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222482600 569884700 /nfs/dbraw/zinc/88/47/00/569884700.db2.gz SNRAKJZGLOVFMF-IBGZPJMESA-N 0 0 467.591 2.932 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222483769 569884702 /nfs/dbraw/zinc/88/47/02/569884702.db2.gz NOSZJSTYXPQUJQ-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222497877 569884868 /nfs/dbraw/zinc/88/48/68/569884868.db2.gz UQKHTAJDKHOYRC-NRFANRHFSA-N 0 0 485.606 2.862 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222505060 569884990 /nfs/dbraw/zinc/88/49/90/569884990.db2.gz ZOOQMKCXIIDUBW-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000222508424 569885047 /nfs/dbraw/zinc/88/50/47/569885047.db2.gz BDAWJEAVPJAXGX-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN COc1cccc(OC)c1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 ZINC000222547386 569885545 /nfs/dbraw/zinc/88/55/45/569885545.db2.gz RZPDNMNVGXXPKO-KRWDZBQOSA-N 0 0 462.568 2.738 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222551284 569885655 /nfs/dbraw/zinc/88/56/55/569885655.db2.gz XCJYAWSIBANGBZ-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222551676 569885675 /nfs/dbraw/zinc/88/56/75/569885675.db2.gz VTIYJSCDIQWZDH-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000222554287 569885753 /nfs/dbraw/zinc/88/57/53/569885753.db2.gz ZVNRTACTJOOYTE-HXUWFJFHSA-N 0 0 451.548 2.907 40 0 JFABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@@H]4CCCN(S(C)(=O)=O)C4)cc32)cc1 ZINC000222557566 569885795 /nfs/dbraw/zinc/88/57/95/569885795.db2.gz XPCIBGXPKXLOHT-GOSISDBHSA-N 0 0 457.552 2.508 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000222572943 569886037 /nfs/dbraw/zinc/88/60/37/569886037.db2.gz GGYJGMPECMWQIS-GOSISDBHSA-N 0 0 490.578 2.849 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000222573011 569886041 /nfs/dbraw/zinc/88/60/41/569886041.db2.gz GGYJGMPECMWQIS-SFHVURJKSA-N 0 0 490.578 2.849 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222618152 569887076 /nfs/dbraw/zinc/88/70/76/569887076.db2.gz NDCPDKBECBZNBJ-MRXNPFEDSA-N 0 0 467.538 2.674 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222623732 569887199 /nfs/dbraw/zinc/88/71/99/569887199.db2.gz WBLFCZHLWNFODX-QFIPXVFZSA-N 0 0 493.601 2.932 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222626981 569887275 /nfs/dbraw/zinc/88/72/75/569887275.db2.gz GBRKGZLKEZQEMO-KRWDZBQOSA-N 0 0 471.554 2.763 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222627749 569887289 /nfs/dbraw/zinc/88/72/89/569887289.db2.gz WNZJMOOGSPYYGC-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CCOc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222628560 569887318 /nfs/dbraw/zinc/88/73/18/569887318.db2.gz NIWIRZFVBCYSHY-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222639048 569887537 /nfs/dbraw/zinc/88/75/37/569887537.db2.gz GMMCPKXDDYMTES-UHFFFAOYSA-N 0 0 487.607 2.544 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222646575 569887667 /nfs/dbraw/zinc/88/76/67/569887667.db2.gz JUCMDWZQHHWXKN-SFHVURJKSA-N 0 0 475.611 2.793 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222660601 569887926 /nfs/dbraw/zinc/88/79/26/569887926.db2.gz TVMDRTAJHDJGEL-SFHVURJKSA-N 0 0 492.617 2.771 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222667804 569888024 /nfs/dbraw/zinc/88/80/24/569888024.db2.gz DKSAVMAUHTZUIH-QGZVFWFLSA-N 0 0 471.579 2.553 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222675636 569888260 /nfs/dbraw/zinc/88/82/60/569888260.db2.gz WJBKEUWAYGAFAX-ZDUSSCGKSA-N 0 0 498.388 2.691 40 0 JFABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1C(=O)N1CCOCC1 ZINC000222704485 569889069 /nfs/dbraw/zinc/88/90/69/569889069.db2.gz YUXUAXJEMSRUEH-OAHLLOKOSA-N 0 0 478.592 2.692 40 0 JFABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(N)=O)cc3)cc2)cc1 ZINC000222705531 569889118 /nfs/dbraw/zinc/88/91/18/569889118.db2.gz KLGZLHAFCVJWHS-UHFFFAOYSA-N 0 0 483.546 2.931 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222718838 569889441 /nfs/dbraw/zinc/88/94/41/569889441.db2.gz LWELSOSBMOORGS-LJQANCHMSA-N 0 0 457.596 2.567 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc[nH]n3)cc2)cc1Cl ZINC000222732423 569889785 /nfs/dbraw/zinc/88/97/85/569889785.db2.gz LQTIYQJZQJCDAW-UHFFFAOYSA-N 0 0 497.986 2.555 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc2c(c1)OCCO2 ZINC000222734649 569889860 /nfs/dbraw/zinc/88/98/60/569889860.db2.gz ARLDYOUDVZSMKE-UHFFFAOYSA-N 0 0 460.537 2.771 40 0 JFABRN C[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000222739889 569889957 /nfs/dbraw/zinc/88/99/57/569889957.db2.gz SBFHRQMXXAAYTL-OAHLLOKOSA-N 0 0 486.421 2.918 40 0 JFABRN Cc1cccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222741666 569890103 /nfs/dbraw/zinc/89/01/03/569890103.db2.gz LVBAKMLJZYYZCR-GOSISDBHSA-N 0 0 485.606 2.862 40 0 JFABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc[nH]n3)c(C)c2)cc1 ZINC000222807260 569891604 /nfs/dbraw/zinc/89/16/04/569891604.db2.gz RSYZXHXRYNLAHO-UHFFFAOYSA-N 0 0 491.595 2.600 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222817548 569891836 /nfs/dbraw/zinc/89/18/36/569891836.db2.gz VDTVYZDVMSUPKI-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000222844493 569892483 /nfs/dbraw/zinc/89/24/83/569892483.db2.gz FHCDWAIBYSIHEO-SFHVURJKSA-N 0 0 483.590 2.778 40 0 JFABRN Cc1nc(SCCNC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)n[nH]1 ZINC000222851976 569892772 /nfs/dbraw/zinc/89/27/72/569892772.db2.gz BZKWEKTXIPBOOQ-UHFFFAOYSA-N 0 0 451.618 2.565 40 0 JFABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NCCSc2nc[nH]n2)cc1)c1ccccc1 ZINC000222856522 569892857 /nfs/dbraw/zinc/89/28/57/569892857.db2.gz BJLJKYSBUJCRAY-MRXNPFEDSA-N 0 0 459.597 2.685 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222856386 569892879 /nfs/dbraw/zinc/89/28/79/569892879.db2.gz RTHJUAYFLITDJB-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000222892356 569893719 /nfs/dbraw/zinc/89/37/19/569893719.db2.gz FWDSVHLOHHYWDT-LJQANCHMSA-N 0 0 467.591 2.812 40 0 JFABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222897434 569893843 /nfs/dbraw/zinc/89/38/43/569893843.db2.gz FQBUPJIDMSAOAX-UHFFFAOYSA-N 0 0 471.608 2.754 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222914633 569894239 /nfs/dbraw/zinc/89/42/39/569894239.db2.gz RQPCYWQEKHFCJC-GOSISDBHSA-N 0 0 463.575 2.578 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222935323 569894845 /nfs/dbraw/zinc/89/48/45/569894845.db2.gz ZUOLVLUULSOMLV-SFHVURJKSA-N 0 0 451.976 2.659 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222938070 569894913 /nfs/dbraw/zinc/89/49/13/569894913.db2.gz LTNQJKIORDWWLD-LJQANCHMSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222939694 569894968 /nfs/dbraw/zinc/89/49/68/569894968.db2.gz RTEZETBCHLULBU-OAQYLSRUSA-N 0 0 485.606 2.596 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222952242 569895314 /nfs/dbraw/zinc/89/53/14/569895314.db2.gz IYAIHTXVMQVTCA-GOSISDBHSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222952689 569895355 /nfs/dbraw/zinc/89/53/55/569895355.db2.gz LFIBSVWTBLQRGZ-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222952837 569895368 /nfs/dbraw/zinc/89/53/68/569895368.db2.gz LSAQEFHQIKIMJE-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222955982 569895383 /nfs/dbraw/zinc/89/53/83/569895383.db2.gz GCLNOGNCYHGUGB-OAHLLOKOSA-N 0 0 499.992 2.807 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222963970 569895610 /nfs/dbraw/zinc/89/56/10/569895610.db2.gz DFZOZGLQPOZNKE-AWEZNQCLSA-N 0 0 487.956 2.938 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222965510 569895658 /nfs/dbraw/zinc/89/56/58/569895658.db2.gz WDHUHPGLMPKUNK-GOSISDBHSA-N 0 0 463.575 2.925 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222975157 569895899 /nfs/dbraw/zinc/89/58/99/569895899.db2.gz UMBHVMZTQQFVDW-SFHVURJKSA-N 0 0 489.594 2.515 40 0 JFABRN CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000222976407 569895910 /nfs/dbraw/zinc/89/59/10/569895910.db2.gz NRQCOBADDQPXAL-HXUWFJFHSA-N 0 0 462.593 2.819 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222981529 569896018 /nfs/dbraw/zinc/89/60/18/569896018.db2.gz DWBLVIZEYXJWLD-JOCHJYFZSA-N 0 0 459.612 2.931 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222980765 569896047 /nfs/dbraw/zinc/89/60/47/569896047.db2.gz MKDREHQTPYQFJN-IBGZPJMESA-N 0 0 492.617 2.772 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222987917 569896312 /nfs/dbraw/zinc/89/63/12/569896312.db2.gz OWZLPOWZJHICQO-SFHVURJKSA-N 0 0 471.579 2.555 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)CN(c3ccccc3F)S(=O)(=O)N(C)C)s2)cc1 ZINC000222998415 569896529 /nfs/dbraw/zinc/89/65/29/569896529.db2.gz HGIWPMNUTTWEKX-UHFFFAOYSA-N 0 0 465.532 2.604 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223029595 569897202 /nfs/dbraw/zinc/89/72/02/569897202.db2.gz XIUROBGBRKHHGQ-HXUWFJFHSA-N 0 0 466.003 2.968 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000223036299 569897451 /nfs/dbraw/zinc/89/74/51/569897451.db2.gz BEDSZCGGWOYTPE-QFIPXVFZSA-N 0 0 459.612 2.877 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223075214 569898666 /nfs/dbraw/zinc/89/86/66/569898666.db2.gz BLKZQWQDXQGIRN-QFIPXVFZSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223074915 569898706 /nfs/dbraw/zinc/89/87/06/569898706.db2.gz XCVZIEZFEHCHHT-NRFANRHFSA-N 0 0 459.612 2.931 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000223082928 569898914 /nfs/dbraw/zinc/89/89/14/569898914.db2.gz PNLXSXJUWWRSFA-QFIPXVFZSA-N 0 0 459.612 2.877 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223082514 569898925 /nfs/dbraw/zinc/89/89/25/569898925.db2.gz OYEWLXPREPGYAG-FCEUIQTBSA-N 0 0 453.583 2.970 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223103756 569899530 /nfs/dbraw/zinc/89/95/30/569899530.db2.gz FTSHXCJRNFFOMB-QZTJIDSGSA-N 0 0 493.601 2.932 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223105865 569899618 /nfs/dbraw/zinc/89/96/18/569899618.db2.gz GNABUOSKEXMANB-LJQANCHMSA-N 0 0 459.612 2.827 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 ZINC000223114657 569899831 /nfs/dbraw/zinc/89/98/31/569899831.db2.gz QDLLPURXWHHFTN-HUUCEWRRSA-N 0 0 466.556 2.753 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223125963 569900252 /nfs/dbraw/zinc/90/02/52/569900252.db2.gz GHDRYGPDJUSJKX-QGZVKYPTSA-N 0 0 457.546 2.799 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223140361 569900930 /nfs/dbraw/zinc/90/09/30/569900930.db2.gz VWHUPSHYZSIUHE-HXUWFJFHSA-N 0 0 466.003 2.822 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223157939 569901477 /nfs/dbraw/zinc/90/14/77/569901477.db2.gz OYCGXLWTFOXBPI-LJQANCHMSA-N 0 0 471.579 2.553 40 0 JFABRN COc1ccc(OC[C@H](C)NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000223170450 569901917 /nfs/dbraw/zinc/90/19/17/569901917.db2.gz UBSHUJFALVIBQY-KRWDZBQOSA-N 0 0 450.557 2.834 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223181475 569902354 /nfs/dbraw/zinc/90/23/54/569902354.db2.gz VQYSWPLIBJUIHO-HXUWFJFHSA-N 0 0 499.008 2.645 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223184463 569902604 /nfs/dbraw/zinc/90/26/04/569902604.db2.gz XIKXYYICTUKAIC-FQEVSTJZSA-N 0 0 466.003 2.822 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223210387 569903572 /nfs/dbraw/zinc/90/35/72/569903572.db2.gz HKRATBJLHWPXLI-SFHVURJKSA-N 0 0 469.966 2.799 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](CC)C(=O)NC)S(C)(=O)=O ZINC000223211324 569903597 /nfs/dbraw/zinc/90/35/97/569903597.db2.gz OLMVWEMGMZSJDA-IBGZPJMESA-N 0 0 479.574 2.544 40 0 JFABRN O=C(COc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO ZINC000223216685 569903747 /nfs/dbraw/zinc/90/37/47/569903747.db2.gz BLINPOJAKIHOMO-DEOSSOPVSA-N 0 0 450.510 2.953 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223234590 569904410 /nfs/dbraw/zinc/90/44/10/569904410.db2.gz YJULWNHBQXRRGC-JOCHJYFZSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223248731 569904866 /nfs/dbraw/zinc/90/48/66/569904866.db2.gz AFPUELZQYKXIRR-HXUWFJFHSA-N 0 0 485.606 2.862 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223261813 569905293 /nfs/dbraw/zinc/90/52/93/569905293.db2.gz CKZKNSCNRCOJAD-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)s1 ZINC000223282261 569906002 /nfs/dbraw/zinc/90/60/02/569906002.db2.gz FWKVFURYEKRMMK-SNVBAGLBSA-N 0 0 479.005 2.558 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223387418 569909492 /nfs/dbraw/zinc/90/94/92/569909492.db2.gz AYGPRSVKWWLJTQ-QFIPXVFZSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223387195 569909532 /nfs/dbraw/zinc/90/95/32/569909532.db2.gz VIKAOBFKUFICEO-OAQYLSRUSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223431386 569911170 /nfs/dbraw/zinc/91/11/70/569911170.db2.gz DUBVBWZELOSTEH-FQEVSTJZSA-N 0 0 482.002 2.668 40 0 JFABRN CN([C@@H](C(=O)Nc1ccccc1C(=O)NCc1cccnc1)c1ccccc1)S(C)(=O)=O ZINC000223437410 569911396 /nfs/dbraw/zinc/91/13/96/569911396.db2.gz GKJPFHGSADWSRA-OAQYLSRUSA-N 0 0 452.536 2.583 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223449781 569911701 /nfs/dbraw/zinc/91/17/01/569911701.db2.gz YZEVLYWAGQCCMB-NRFANRHFSA-N 0 0 451.523 2.625 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223453219 569911866 /nfs/dbraw/zinc/91/18/66/569911866.db2.gz BQGPOWOWBLSULA-HXUWFJFHSA-N 0 0 482.002 2.523 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223458867 569912016 /nfs/dbraw/zinc/91/20/16/569912016.db2.gz GHGLKOGZCWBEFX-QIJUGHKUSA-N 0 0 469.582 2.670 40 0 JFABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223467496 569912274 /nfs/dbraw/zinc/91/22/74/569912274.db2.gz RPSVFHLMMHJJNN-QFIPXVFZSA-N 0 0 463.575 2.703 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223473558 569912478 /nfs/dbraw/zinc/91/24/78/569912478.db2.gz BMXYXKXRYDYMAP-OAQYLSRUSA-N 0 0 459.612 2.665 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223476197 569912580 /nfs/dbraw/zinc/91/25/80/569912580.db2.gz YEUCRSOCJFDDOW-IBGZPJMESA-N 0 0 496.029 2.711 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223488814 569913161 /nfs/dbraw/zinc/91/31/61/569913161.db2.gz XLICHWFJSXGEDH-QFIPXVFZSA-N 0 0 477.602 2.968 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223489579 569913242 /nfs/dbraw/zinc/91/32/42/569913242.db2.gz JBIWHMDQRNNBMU-JOCHJYFZSA-N 0 0 488.654 2.512 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223496992 569913517 /nfs/dbraw/zinc/91/35/17/569913517.db2.gz FRZGBPJZRYUESX-JOCHJYFZSA-N 0 0 459.612 2.683 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223504854 569913917 /nfs/dbraw/zinc/91/39/17/569913917.db2.gz MVZMUAXTGDDYOJ-QIJUGHKUSA-N 0 0 469.582 2.670 40 0 JFABRN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)s1 ZINC000223506691 569913960 /nfs/dbraw/zinc/91/39/60/569913960.db2.gz NYBNEYDYZHRRJR-UHFFFAOYSA-N 0 0 461.544 2.749 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223520417 569914463 /nfs/dbraw/zinc/91/44/63/569914463.db2.gz PJYHUMIAOAQOAZ-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223539372 569915155 /nfs/dbraw/zinc/91/51/55/569915155.db2.gz GUXCODCURWIGDK-XMMPIXPASA-N 0 0 489.638 2.963 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000223540682 569915275 /nfs/dbraw/zinc/91/52/75/569915275.db2.gz DZUKEHCSIPWTGM-UHFFFAOYSA-N 0 0 478.958 2.898 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223542236 569915336 /nfs/dbraw/zinc/91/53/36/569915336.db2.gz DSWSUTRVWFRNDP-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223542736 569915338 /nfs/dbraw/zinc/91/53/38/569915338.db2.gz ZMGABYSTIOWDRK-OAQYLSRUSA-N 0 0 488.654 2.676 40 0 JFABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223549680 569915592 /nfs/dbraw/zinc/91/55/92/569915592.db2.gz DLLVEUYYYNUYQA-NRFANRHFSA-N 0 0 473.639 2.992 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223562581 569916171 /nfs/dbraw/zinc/91/61/71/569916171.db2.gz PSXPEASXGASFLL-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223574583 569916533 /nfs/dbraw/zinc/91/65/33/569916533.db2.gz GYYRGPXYMBDJKT-SFHVURJKSA-N 0 0 473.595 2.517 40 0 JFABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000223574557 569916560 /nfs/dbraw/zinc/91/65/60/569916560.db2.gz NHEBKKDNZFHTHK-CYBMUJFWSA-N 0 0 450.542 2.620 40 0 JFABRN CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C(=O)N4CCCC4)c3)n2)cc1 ZINC000223592941 569917179 /nfs/dbraw/zinc/91/71/79/569917179.db2.gz UGLWCQOIEYCPPY-UHFFFAOYSA-N 0 0 486.550 2.858 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 ZINC000223603611 569917583 /nfs/dbraw/zinc/91/75/83/569917583.db2.gz GYGSOPSQUBAROO-UHFFFAOYSA-N 0 0 456.520 2.572 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223609012 569917805 /nfs/dbraw/zinc/91/78/05/569917805.db2.gz GFEOSKYWDUBHMZ-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223610233 569917865 /nfs/dbraw/zinc/91/78/65/569917865.db2.gz BVGQYKNPLKXLKW-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223631709 569918427 /nfs/dbraw/zinc/91/84/27/569918427.db2.gz AAPYYQXABLZMFX-HXUWFJFHSA-N 0 0 459.612 2.949 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223631756 569918429 /nfs/dbraw/zinc/91/84/29/569918429.db2.gz AAPYYQXABLZMFX-FQEVSTJZSA-N 0 0 459.612 2.949 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc3ccccc3c2)cc1OC ZINC000223644806 569918771 /nfs/dbraw/zinc/91/87/71/569918771.db2.gz SJFHZFSUDHVXNV-UHFFFAOYSA-N 0 0 458.536 2.673 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223652188 569919007 /nfs/dbraw/zinc/91/90/07/569919007.db2.gz RYBZMMWEFJMHRM-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN COc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c(OC)c1 ZINC000223679158 569919770 /nfs/dbraw/zinc/91/97/70/569919770.db2.gz JOPSSOABVHMERW-UHFFFAOYSA-N 0 0 464.584 2.963 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223698560 569920373 /nfs/dbraw/zinc/92/03/73/569920373.db2.gz QYRYQTMKRHIJAS-HXUWFJFHSA-N 0 0 485.606 2.596 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223699936 569920421 /nfs/dbraw/zinc/92/04/21/569920421.db2.gz IJPHLQKVZOLUNZ-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223709995 569920715 /nfs/dbraw/zinc/92/07/15/569920715.db2.gz OVXPRHNBMIBCNJ-KRWDZBQOSA-N 0 0 481.018 2.506 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223710341 569920791 /nfs/dbraw/zinc/92/07/91/569920791.db2.gz VGYASAMVKZTJQV-AWEZNQCLSA-N 0 0 487.956 2.938 40 0 JFABRN C[C@@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223741864 569921802 /nfs/dbraw/zinc/92/18/02/569921802.db2.gz YNCFWWCAEWWNAN-YOCVDRLZSA-N 0 0 463.550 2.977 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223741642 569921839 /nfs/dbraw/zinc/92/18/39/569921839.db2.gz IMRNUOKETHZBPE-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223743196 569921877 /nfs/dbraw/zinc/92/18/77/569921877.db2.gz CYIVUVHUSMGJSG-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223750094 569922097 /nfs/dbraw/zinc/92/20/97/569922097.db2.gz CGFPZLUXGLIWKD-SFHVURJKSA-N 0 0 483.590 2.697 40 0 JFABRN CC[C@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223764055 569922550 /nfs/dbraw/zinc/92/25/50/569922550.db2.gz IDDHLJORVOYEBS-CYBMUJFWSA-N 0 0 493.032 2.948 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCC1CCCCC1)c1ccc(I)cc1 ZINC000223774484 569922886 /nfs/dbraw/zinc/92/28/86/569922886.db2.gz CFFJNMHHVLJMEA-UHFFFAOYSA-N 0 0 450.342 2.754 40 0 JFABRN CC(C)c1ccccc1OCCNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223774982 569922947 /nfs/dbraw/zinc/92/29/47/569922947.db2.gz SSJJVURHWVSOAZ-KRWDZBQOSA-N 0 0 462.568 2.931 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCOc1ccccc1C(C)C ZINC000223799700 569923757 /nfs/dbraw/zinc/92/37/57/569923757.db2.gz ZVRNQUDKEVYIQD-UHFFFAOYSA-N 0 0 459.612 2.863 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223801479 569923783 /nfs/dbraw/zinc/92/37/83/569923783.db2.gz XEAGTUZSCOYPNT-IBGZPJMESA-N 0 0 492.617 2.609 40 0 JFABRN C[C@@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223845551 569924911 /nfs/dbraw/zinc/92/49/11/569924911.db2.gz XMGWZHSXSNRMKL-ZIAGYGMSSA-N 0 0 458.989 2.775 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223856987 569925322 /nfs/dbraw/zinc/92/53/22/569925322.db2.gz UURLYJQIDFQSIN-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223859116 569925362 /nfs/dbraw/zinc/92/53/62/569925362.db2.gz ZOFQUYNIKSIYAX-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223876755 569925903 /nfs/dbraw/zinc/92/59/03/569925903.db2.gz KLNKATASUOXKNV-INIZCTEOSA-N 0 0 450.582 2.507 40 0 JFABRN C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223876696 569925926 /nfs/dbraw/zinc/92/59/26/569925926.db2.gz KLNKATASUOXKNV-MRXNPFEDSA-N 0 0 450.582 2.507 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223879211 569925973 /nfs/dbraw/zinc/92/59/73/569925973.db2.gz XQOKJXNVGIFWKX-QGZVFWFLSA-N 0 0 496.580 2.521 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000223881179 569926099 /nfs/dbraw/zinc/92/60/99/569926099.db2.gz OKZYPVVXGZNBIR-KBXCAEBGSA-N 0 0 456.561 2.651 40 0 JFABRN CCOc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000223883573 569926229 /nfs/dbraw/zinc/92/62/29/569926229.db2.gz NCNDTRMQOOENSN-KRWDZBQOSA-N 0 0 482.624 2.912 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223891858 569926479 /nfs/dbraw/zinc/92/64/79/569926479.db2.gz ZGOOBRVKFQBBMK-KRWDZBQOSA-N 0 0 494.635 2.693 40 0 JFABRN Cc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1C ZINC000223952749 569928255 /nfs/dbraw/zinc/92/82/55/569928255.db2.gz WOAYPJCJJYAZRG-UHFFFAOYSA-N 0 0 466.003 2.702 40 0 JFABRN Cc1cccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1C ZINC000223958435 569928419 /nfs/dbraw/zinc/92/84/19/569928419.db2.gz VLISZNFPCQXEJB-UHFFFAOYSA-N 0 0 462.568 2.816 40 0 JFABRN COc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(I)c2)cc1 ZINC000223983148 569929418 /nfs/dbraw/zinc/92/94/18/569929418.db2.gz MVMSSZACAOWGOC-UHFFFAOYSA-N 0 0 463.293 2.666 40 0 JFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(Cc2ccccc2F)S(C)(=O)=O)CC1 ZINC000224006579 569930222 /nfs/dbraw/zinc/93/02/22/569930222.db2.gz GFOIHLHYIDBELC-UHFFFAOYSA-N 0 0 453.967 2.898 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1OC ZINC000224033794 569931254 /nfs/dbraw/zinc/93/12/54/569931254.db2.gz ZTOFLQJCDXTAMA-KRWDZBQOSA-N 0 0 450.557 2.670 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C(=O)N1CCOCC1 ZINC000224035413 569931343 /nfs/dbraw/zinc/93/13/43/569931343.db2.gz FDAAGZYAXXWSLG-UHFFFAOYSA-N 0 0 476.595 2.822 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000224040200 569931532 /nfs/dbraw/zinc/93/15/32/569931532.db2.gz DDBNAJFSFKDMAI-QGZVFWFLSA-N 0 0 451.523 2.625 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000224043733 569931569 /nfs/dbraw/zinc/93/15/69/569931569.db2.gz LOJRZRXOFFWQBI-IBGZPJMESA-N 0 0 475.611 2.649 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224062518 569932062 /nfs/dbraw/zinc/93/20/62/569932062.db2.gz YRBZZSMOCZRMIO-KRWDZBQOSA-N 0 0 463.575 2.924 40 0 JFABRN CN(c1cccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1)S(C)(=O)=O ZINC000224065244 569932131 /nfs/dbraw/zinc/93/21/31/569932131.db2.gz SRIRZBZCPFBWPP-UHFFFAOYSA-N 0 0 475.539 2.546 40 0 JFABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224068691 569932282 /nfs/dbraw/zinc/93/22/82/569932282.db2.gz GCMNIWBPSPKJLQ-QFIPXVFZSA-N 0 0 499.633 2.987 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224087920 569932897 /nfs/dbraw/zinc/93/28/97/569932897.db2.gz UXNKNZSJCVXQLE-FQEVSTJZSA-N 0 0 489.638 2.837 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224088076 569932923 /nfs/dbraw/zinc/93/29/23/569932923.db2.gz RXDWJRTWXVAFDF-SFHVURJKSA-N 0 0 463.575 2.781 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224088024 569932936 /nfs/dbraw/zinc/93/29/36/569932936.db2.gz RXDWJRTWXVAFDF-GOSISDBHSA-N 0 0 463.575 2.781 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224103480 569933266 /nfs/dbraw/zinc/93/32/66/569933266.db2.gz QRESWCGJCBQLRU-PTUXOGIPSA-N 0 0 465.594 2.846 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224108455 569933485 /nfs/dbraw/zinc/93/34/85/569933485.db2.gz HHINGDFUFLYZDF-HXUWFJFHSA-N 0 0 475.611 2.795 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224119585 569933796 /nfs/dbraw/zinc/93/37/96/569933796.db2.gz BJSQVLXKVAZLLZ-FQEVSTJZSA-N 0 0 467.538 2.674 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000224122415 569933902 /nfs/dbraw/zinc/93/39/02/569933902.db2.gz NYLFNRXHFKKRCI-HXUWFJFHSA-N 0 0 489.594 2.515 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000224122751 569933906 /nfs/dbraw/zinc/93/39/06/569933906.db2.gz VCOKTZNHTFYLTN-QFIPXVFZSA-N 0 0 488.654 2.860 40 0 JFABRN COc1ccc(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OC ZINC000224130438 569934115 /nfs/dbraw/zinc/93/41/15/569934115.db2.gz KERTVHWXLDZIFV-UHFFFAOYSA-N 0 0 456.948 2.627 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224152681 569934621 /nfs/dbraw/zinc/93/46/21/569934621.db2.gz BOZUBQMSXLOMHT-JOCHJYFZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224152558 569934628 /nfs/dbraw/zinc/93/46/28/569934628.db2.gz ZFDYRIUQLXJAPH-JOCHJYFZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224153781 569934688 /nfs/dbraw/zinc/93/46/88/569934688.db2.gz VDVLBBADFJUPAE-FQEVSTJZSA-N 0 0 463.575 2.844 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224153740 569934715 /nfs/dbraw/zinc/93/47/15/569934715.db2.gz VDVLBBADFJUPAE-HXUWFJFHSA-N 0 0 463.575 2.844 40 0 JFABRN COc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000224164987 569935070 /nfs/dbraw/zinc/93/50/70/569935070.db2.gz BNWLRVSXFWJVHZ-UHFFFAOYSA-N 0 0 462.568 2.933 40 0 JFABRN Cc1cccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224169283 569935149 /nfs/dbraw/zinc/93/51/49/569935149.db2.gz MJQYKQYZACZCEX-IBGZPJMESA-N 0 0 485.606 2.719 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000224169377 569935197 /nfs/dbraw/zinc/93/51/97/569935197.db2.gz PANWKCITXAMLAK-UHFFFAOYSA-N 0 0 485.653 2.698 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)cc1N1C(=O)CCC1=O ZINC000224188962 569935774 /nfs/dbraw/zinc/93/57/74/569935774.db2.gz CDOWLCQJWKICDY-UHFFFAOYSA-N 0 0 452.916 2.668 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)s1 ZINC000224190012 569935820 /nfs/dbraw/zinc/93/58/20/569935820.db2.gz GPQQCAAKFCMEPT-MRVPVSSYSA-N 0 0 499.423 2.903 40 0 JFABRN COc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 ZINC000224219658 569936986 /nfs/dbraw/zinc/93/69/86/569936986.db2.gz BRNCLHOCYGIFIL-UHFFFAOYSA-N 0 0 460.596 2.865 40 0 JFABRN O=C(NCCOc1ccccc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224229352 569937278 /nfs/dbraw/zinc/93/72/78/569937278.db2.gz NANOOOGUPKZWOQ-HSZRJFAPSA-N 0 0 452.532 2.979 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224240547 569937734 /nfs/dbraw/zinc/93/77/34/569937734.db2.gz KVEOBBWGVGPJSF-JOCHJYFZSA-N 0 0 475.611 2.713 40 0 JFABRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000224250156 569938132 /nfs/dbraw/zinc/93/81/32/569938132.db2.gz KONLIWZZDBKCJR-AWEZNQCLSA-N 0 0 471.373 2.662 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224259434 569938407 /nfs/dbraw/zinc/93/84/07/569938407.db2.gz LMCGMFYRHMGRKN-NRFANRHFSA-N 0 0 492.617 2.690 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000224291318 569939519 /nfs/dbraw/zinc/93/95/19/569939519.db2.gz NRVXNCGDMMOBFQ-SFHVURJKSA-N 0 0 493.601 2.790 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224294076 569939617 /nfs/dbraw/zinc/93/96/17/569939617.db2.gz CGYVBYBQTLJGIT-NRFANRHFSA-N 0 0 495.045 2.896 40 0 JFABRN Cc1cc(C)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 ZINC000224296315 569939641 /nfs/dbraw/zinc/93/96/41/569939641.db2.gz XNRBRFFWKCRHJI-UHFFFAOYSA-N 0 0 452.598 2.754 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224300700 569939733 /nfs/dbraw/zinc/93/97/33/569939733.db2.gz JFAPFGVUFNDOIA-NSHGMRRFSA-N 0 0 459.974 2.925 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224300755 569939744 /nfs/dbraw/zinc/93/97/44/569939744.db2.gz JFAPFGVUFNDOIA-WSTZPKSXSA-N 0 0 459.974 2.925 40 0 JFABRN O=S(=O)(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2ccccc2c1 ZINC000224302070 569939788 /nfs/dbraw/zinc/93/97/88/569939788.db2.gz GJSNDRXQVHJQEV-UHFFFAOYSA-N 0 0 460.577 2.982 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224305613 569939895 /nfs/dbraw/zinc/93/98/95/569939895.db2.gz CKYAVPBJNATRAL-DZFGPLHGSA-N 0 0 457.546 2.656 40 0 JFABRN O=S(=O)(Cc1ccc(Cl)cc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224310698 569940055 /nfs/dbraw/zinc/94/00/55/569940055.db2.gz GOVSGHRZOCYIOJ-UHFFFAOYSA-N 0 0 458.989 2.623 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccccc1F ZINC000224342576 569941268 /nfs/dbraw/zinc/94/12/68/569941268.db2.gz XAVMKDKDUPSVSV-UHFFFAOYSA-N 0 0 451.564 2.931 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224365831 569942080 /nfs/dbraw/zinc/94/20/80/569942080.db2.gz QKSWXGFYOBUACJ-NRFANRHFSA-N 0 0 463.575 2.844 40 0 JFABRN CCOc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000224373352 569942392 /nfs/dbraw/zinc/94/23/92/569942392.db2.gz IHAUWVGPZQGYTK-UHFFFAOYSA-N 0 0 468.597 2.617 40 0 JFABRN COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c(OC)c1OC ZINC000224380015 569942629 /nfs/dbraw/zinc/94/26/29/569942629.db2.gz ZEELHQIOYIPZER-UHFFFAOYSA-N 0 0 498.970 2.948 40 0 JFABRN Cc1ccccc1CS(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224387388 569942861 /nfs/dbraw/zinc/94/28/61/569942861.db2.gz YLWKNWKWWQXFJU-UHFFFAOYSA-N 0 0 452.598 2.668 40 0 JFABRN COc1cccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)c4ccccc4)s3)n2)c1 ZINC000224412495 569943782 /nfs/dbraw/zinc/94/37/82/569943782.db2.gz HFLTUAPXPYADSE-UHFFFAOYSA-N 0 0 486.535 2.670 40 0 JFABRN C[C@H](SCc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224431891 569944398 /nfs/dbraw/zinc/94/43/98/569944398.db2.gz MRYXMVXVELHQJC-SFHVURJKSA-N 0 0 464.609 2.524 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224433810 569944425 /nfs/dbraw/zinc/94/44/25/569944425.db2.gz CJAYDNLGLZMGMK-SFHVURJKSA-N 0 0 493.601 2.790 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224464954 569945293 /nfs/dbraw/zinc/94/52/93/569945293.db2.gz BHTPZUQRICEXLI-SFHVURJKSA-N 0 0 493.601 2.790 40 0 JFABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224475255 569945594 /nfs/dbraw/zinc/94/55/94/569945594.db2.gz BGAJDWUKMDTWFS-HXUWFJFHSA-N 0 0 482.986 2.714 40 0 JFABRN COc1ccc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000224490758 569946082 /nfs/dbraw/zinc/94/60/82/569946082.db2.gz SLOPQGRNNQLTIF-NRFANRHFSA-N 0 0 462.568 2.715 40 0 JFABRN COc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1OC ZINC000224490948 569946116 /nfs/dbraw/zinc/94/61/16/569946116.db2.gz CLUQEDCQMVAKMA-OAQYLSRUSA-N 0 0 462.568 2.845 40 0 JFABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCOc1ccc(F)cc1)O2 ZINC000224491712 569946165 /nfs/dbraw/zinc/94/61/65/569946165.db2.gz PCXMDYQJIYSQMP-FQEVSTJZSA-N 0 0 450.532 2.845 40 0 JFABRN CCCSc1nnc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)s1 ZINC000224494889 569946309 /nfs/dbraw/zinc/94/63/09/569946309.db2.gz BTSDBECVYVFSMY-UHFFFAOYSA-N 0 0 458.587 2.606 40 0 JFABRN CCOc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl ZINC000224494999 569946321 /nfs/dbraw/zinc/94/63/21/569946321.db2.gz IHGIBMQSPMVLHH-UHFFFAOYSA-N 0 0 468.959 2.568 40 0 JFABRN CC(C)c1ccc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224548077 569947986 /nfs/dbraw/zinc/94/79/86/569947986.db2.gz IEIBXOMCTXLOFE-UHFFFAOYSA-N 0 0 459.612 2.725 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000224550660 569948137 /nfs/dbraw/zinc/94/81/37/569948137.db2.gz VXKWXNBENOLSFD-UHFFFAOYSA-N 0 0 486.421 2.908 40 0 JFABRN C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224556151 569948260 /nfs/dbraw/zinc/94/82/60/569948260.db2.gz HXLCJSHLPUPPQH-KRWDZBQOSA-N 0 0 466.003 2.643 40 0 JFABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O ZINC000224559778 569948458 /nfs/dbraw/zinc/94/84/58/569948458.db2.gz NCPBKPUCSMAHGR-KRWDZBQOSA-N 0 0 496.029 2.652 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224569684 569948953 /nfs/dbraw/zinc/94/89/53/569948953.db2.gz BMHPDFIQRYKDLN-FQEVSTJZSA-N 0 0 479.574 2.544 40 0 JFABRN Cc1ccccc1N(CCCC(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O ZINC000224581363 569949432 /nfs/dbraw/zinc/94/94/32/569949432.db2.gz XIOWVRMJWGBZOW-UHFFFAOYSA-N 0 0 459.612 2.690 40 0 JFABRN CCOc1ccc(N(CCCC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224581806 569949471 /nfs/dbraw/zinc/94/94/71/569949471.db2.gz MNHGFLSXBKNSRO-UHFFFAOYSA-N 0 0 489.638 2.780 40 0 JFABRN CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCCOc2ccc(OC)cc2)S1(=O)=O ZINC000224583180 569949505 /nfs/dbraw/zinc/94/95/05/569949505.db2.gz RVBHPGRELFJVRH-UHFFFAOYSA-N 0 0 476.551 2.808 40 0 JFABRN CC(C)n1c2ccc(S(=O)(=O)NCc3ccc(CN4CCOCC4)cc3)cc2sc1=O ZINC000224589990 569949780 /nfs/dbraw/zinc/94/97/80/569949780.db2.gz PKBORZKSUHVNAU-UHFFFAOYSA-N 0 0 461.609 2.955 40 0 JFABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224649537 569952215 /nfs/dbraw/zinc/95/22/15/569952215.db2.gz WCWPCIJMVXLHJT-NRFANRHFSA-N 0 0 485.606 2.719 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224651623 569952268 /nfs/dbraw/zinc/95/22/68/569952268.db2.gz FIDAGLTZXVJJES-SFHVURJKSA-N 0 0 473.595 2.599 40 0 JFABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224661692 569952625 /nfs/dbraw/zinc/95/26/25/569952625.db2.gz QDAZMDYXGCEFNV-SFHVURJKSA-N 0 0 483.590 2.697 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224661802 569952634 /nfs/dbraw/zinc/95/26/34/569952634.db2.gz YBHVHYQFBHNZSY-HNNXBMFYSA-N 0 0 485.528 2.812 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224694902 569953852 /nfs/dbraw/zinc/95/38/52/569953852.db2.gz FZWYAYVPSLUAIP-UIFIKXQLSA-N 0 0 469.557 2.943 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224696924 569953921 /nfs/dbraw/zinc/95/39/21/569953921.db2.gz WFRNUBIRQPXIAN-LJQANCHMSA-N 0 0 492.617 2.690 40 0 JFABRN CC(C)c1ccc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224713866 569954481 /nfs/dbraw/zinc/95/44/81/569954481.db2.gz XMRFOSKFYPKPMQ-UHFFFAOYSA-N 0 0 459.612 2.725 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000224714772 569954503 /nfs/dbraw/zinc/95/45/03/569954503.db2.gz OHUANDKETHSTRN-UHFFFAOYSA-N 0 0 485.528 2.620 40 0 JFABRN Cc1ccc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1Cl ZINC000224715386 569954537 /nfs/dbraw/zinc/95/45/37/569954537.db2.gz LYKVOZDKPGFYKC-UHFFFAOYSA-N 0 0 466.003 2.563 40 0 JFABRN COc1ccc(OC)c(N(CCCC(=O)NCc2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 ZINC000224719130 569954644 /nfs/dbraw/zinc/95/46/44/569954644.db2.gz SPLNBDYMCJDCPA-UHFFFAOYSA-N 0 0 466.556 2.584 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1Br ZINC000224724134 569954839 /nfs/dbraw/zinc/95/48/39/569954839.db2.gz OESWEMUCPLZXBW-UHFFFAOYSA-N 0 0 455.374 2.768 40 0 JFABRN Cc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000224725326 569954855 /nfs/dbraw/zinc/95/48/55/569954855.db2.gz MZIVPFVCSCNNBN-UHFFFAOYSA-N 0 0 457.596 2.542 40 0 JFABRN COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1OC ZINC000224727780 569955008 /nfs/dbraw/zinc/95/50/08/569955008.db2.gz RKMJNDUKHXKGCF-INIZCTEOSA-N 0 0 450.557 2.616 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000224743874 569955721 /nfs/dbraw/zinc/95/57/21/569955721.db2.gz QATFFUWLNBGEEV-UHFFFAOYSA-N 0 0 457.596 2.623 40 0 JFABRN CCc1ccc(N([C@@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224745261 569955814 /nfs/dbraw/zinc/95/58/14/569955814.db2.gz PJZMLPVOVRCHNR-IBGZPJMESA-N 0 0 459.612 2.552 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc(CN4CCOCC4)c3)C2)cc1 ZINC000224756277 569956205 /nfs/dbraw/zinc/95/62/05/569956205.db2.gz XSMCHKRRZHDGDI-HSZRJFAPSA-N 0 0 471.623 2.544 40 0 JFABRN COc1ccccc1OCCNC(=O)CCCN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224764168 569956632 /nfs/dbraw/zinc/95/66/32/569956632.db2.gz CDPIGSWHTGPTHS-UHFFFAOYSA-N 0 0 450.557 2.754 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224768173 569956790 /nfs/dbraw/zinc/95/67/90/569956790.db2.gz LYTCVJZDWBFBKR-HXUWFJFHSA-N 0 0 459.612 2.867 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224769490 569956843 /nfs/dbraw/zinc/95/68/43/569956843.db2.gz YDARXPSSWFJDNA-LJQANCHMSA-N 0 0 492.617 2.690 40 0 JFABRN COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224771346 569956946 /nfs/dbraw/zinc/95/69/46/569956946.db2.gz DNDRXRFBDCUNJC-UHFFFAOYSA-N 0 0 453.520 2.867 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1nc(-c2ccccc2)no1 ZINC000224786618 569957520 /nfs/dbraw/zinc/95/75/20/569957520.db2.gz ZTTCYMHAHLECCZ-UHFFFAOYSA-N 0 0 470.551 2.779 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1cc(Cl)ccc1OC ZINC000224800941 569958154 /nfs/dbraw/zinc/95/81/54/569958154.db2.gz HXEGNPMGZQYXPE-UHFFFAOYSA-N 0 0 468.959 2.949 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224864748 569960781 /nfs/dbraw/zinc/96/07/81/569960781.db2.gz WTJXSGCIGHSNFI-INIZCTEOSA-N 0 0 467.538 2.674 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224872326 569961114 /nfs/dbraw/zinc/96/11/14/569961114.db2.gz KBKQDZRXUAPAAI-GOSISDBHSA-N 0 0 463.575 2.698 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224872365 569961121 /nfs/dbraw/zinc/96/11/21/569961121.db2.gz KBKQDZRXUAPAAI-SFHVURJKSA-N 0 0 463.575 2.698 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224873556 569961168 /nfs/dbraw/zinc/96/11/68/569961168.db2.gz PFWHDMKLEXYTLE-KRWDZBQOSA-N 0 0 496.580 2.521 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224900887 569962441 /nfs/dbraw/zinc/96/24/41/569962441.db2.gz DVUAPYJMLGDEMT-UHFFFAOYSA-N 0 0 486.493 2.954 40 0 JFABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224933976 569964016 /nfs/dbraw/zinc/96/40/16/569964016.db2.gz YBNPUJWETGULHP-XPWALMASSA-N 0 0 483.609 2.916 40 0 JFABRN COc1ccccc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000408594269 569965320 /nfs/dbraw/zinc/96/53/20/569965320.db2.gz PKUMMOYASAZJBC-GOSISDBHSA-N 0 0 453.564 2.864 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CCNC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000408594864 569965775 /nfs/dbraw/zinc/96/57/75/569965775.db2.gz CTLWVFWHPJHKDJ-UHFFFAOYSA-N 0 0 497.577 2.704 40 0 JFABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1 ZINC000408597183 569967265 /nfs/dbraw/zinc/96/72/65/569967265.db2.gz YEPOPHYZNRHQQD-INIZCTEOSA-N 0 0 498.590 2.628 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCc1ccc2c(c1)OCO2 ZINC000408597499 569967361 /nfs/dbraw/zinc/96/73/61/569967361.db2.gz XBLYKXVQEOBRHU-UHFFFAOYSA-N 0 0 466.943 2.985 40 0 JFABRN C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)C(=O)N1CCOCC1 ZINC000408597357 569967419 /nfs/dbraw/zinc/96/74/19/569967419.db2.gz VBRLMKFMAGXWMD-CQSZACIVSA-N 0 0 469.357 2.876 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224986294 569967420 /nfs/dbraw/zinc/96/74/20/569967420.db2.gz JJDKSABAFRKRDK-RTBURBONSA-N 0 0 475.611 2.793 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000408597506 569967470 /nfs/dbraw/zinc/96/74/70/569967470.db2.gz XCQPPAGGSBQCLE-QGZVFWFLSA-N 0 0 466.003 2.981 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000224987653 569967585 /nfs/dbraw/zinc/96/75/85/569967585.db2.gz IFIMHXIXQYGIEW-UHFFFAOYSA-N 0 0 457.474 2.947 40 0 JFABRN COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408597718 569967685 /nfs/dbraw/zinc/96/76/85/569967685.db2.gz WCHNQEZVVHLIQU-UHFFFAOYSA-N 0 0 488.393 2.865 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408598117 569967943 /nfs/dbraw/zinc/96/79/43/569967943.db2.gz ZZZNVQZJOIIDND-AWEZNQCLSA-N 0 0 472.519 2.949 40 0 JFABRN CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)c1ccc2c(c1)OCCO2 ZINC000224995408 569968051 /nfs/dbraw/zinc/96/80/51/569968051.db2.gz YDRBRMDKPCZREG-HNNXBMFYSA-N 0 0 464.540 2.509 40 0 JFABRN CCOc1ccccc1N(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(C)cc1 ZINC000408601676 569969140 /nfs/dbraw/zinc/96/91/40/569969140.db2.gz BEAQCPLEMRXCKQ-UHFFFAOYSA-N 0 0 456.568 2.992 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000225018110 569969395 /nfs/dbraw/zinc/96/93/95/569969395.db2.gz KYERPLZNGPDADZ-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225027855 569970118 /nfs/dbraw/zinc/97/01/18/569970118.db2.gz AVMHEKNHWZLQFK-INIZCTEOSA-N 0 0 497.564 2.683 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCCCN1CCc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000225029436 569970236 /nfs/dbraw/zinc/97/02/36/569970236.db2.gz BKNKPEYYHRNLEY-UHFFFAOYSA-N 0 0 473.595 2.573 40 0 JFABRN Cn1c(=O)sc2cc(NC(=O)CN(c3ccccc3Br)S(C)(=O)=O)ccc21 ZINC000225029945 569970246 /nfs/dbraw/zinc/97/02/46/569970246.db2.gz PWZIYQBHDYRFPU-UHFFFAOYSA-N 0 0 470.370 2.767 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225032154 569970477 /nfs/dbraw/zinc/97/04/77/569970477.db2.gz VGWSROTXYPBLMV-LJQANCHMSA-N 0 0 475.611 2.568 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225034859 569970536 /nfs/dbraw/zinc/97/05/36/569970536.db2.gz YAHTVYYXCQSDDZ-KRWDZBQOSA-N 0 0 496.029 2.913 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000408605819 569971015 /nfs/dbraw/zinc/97/10/15/569971015.db2.gz NOBWEXNXMRCTNU-AWEZNQCLSA-N 0 0 470.975 2.782 40 0 JFABRN CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000408606894 569971318 /nfs/dbraw/zinc/97/13/18/569971318.db2.gz PGPPUEZNZAQURD-TYOLEZHBSA-N 0 0 471.623 2.998 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225041928 569971342 /nfs/dbraw/zinc/97/13/42/569971342.db2.gz GPYDUNGEBSCEKV-YUVXSKOASA-N 0 0 453.583 2.968 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225045507 569971556 /nfs/dbraw/zinc/97/15/56/569971556.db2.gz WQWUTDZVYRZJHF-OALUTQOASA-N 0 0 485.606 2.862 40 0 JFABRN CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000408607942 569971617 /nfs/dbraw/zinc/97/16/17/569971617.db2.gz RDDXGCUVRITMGI-UHFFFAOYSA-N 0 0 455.502 2.895 40 0 JFABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225049698 569971694 /nfs/dbraw/zinc/97/16/94/569971694.db2.gz KVDDRGGLVMESSK-UHFFFAOYSA-N 0 0 464.931 2.823 40 0 JFABRN Cn1c(=O)sc2cc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)ccc21 ZINC000225050812 569971911 /nfs/dbraw/zinc/97/19/11/569971911.db2.gz FHWIUYYDSGPDBZ-UHFFFAOYSA-N 0 0 463.556 2.920 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225052001 569971964 /nfs/dbraw/zinc/97/19/64/569971964.db2.gz UDNNCFLWGROHEY-GOSISDBHSA-N 0 0 463.575 2.578 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000225057960 569972374 /nfs/dbraw/zinc/97/23/74/569972374.db2.gz COUYPAKIEARBNI-LJQANCHMSA-N 0 0 487.622 2.641 40 0 JFABRN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)CC1 ZINC000408614141 569973767 /nfs/dbraw/zinc/97/37/67/569973767.db2.gz YUTVOXSHEADCPA-QGZVFWFLSA-N 0 0 466.600 2.867 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225082404 569973861 /nfs/dbraw/zinc/97/38/61/569973861.db2.gz NUPVZDFLSHARQF-JOCHJYFZSA-N 0 0 475.611 2.795 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1Cl ZINC000408614421 569973979 /nfs/dbraw/zinc/97/39/79/569973979.db2.gz CAKWWIOTBNHLND-MRXNPFEDSA-N 0 0 495.985 2.662 40 0 JFABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O ZINC000408614677 569974224 /nfs/dbraw/zinc/97/42/24/569974224.db2.gz GGAXKGAZQJZXBX-KRWDZBQOSA-N 0 0 479.986 2.962 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000225089572 569974286 /nfs/dbraw/zinc/97/42/86/569974286.db2.gz HDYIKPWCHZRYGP-HXUWFJFHSA-N 0 0 489.594 2.515 40 0 JFABRN COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)C1 ZINC000408615105 569974483 /nfs/dbraw/zinc/97/44/83/569974483.db2.gz LUYKSNCKMFDUFV-MRXNPFEDSA-N 0 0 459.930 2.863 40 0 JFABRN Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)c1 ZINC000408615378 569974621 /nfs/dbraw/zinc/97/46/21/569974621.db2.gz PQPHPGLHNZLTHP-XXBNENTESA-N 0 0 465.550 2.969 40 0 JFABRN CCc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)cc1 ZINC000408615796 569975006 /nfs/dbraw/zinc/97/50/06/569975006.db2.gz SHQQJDGOBLBVIY-WMZHIEFXSA-N 0 0 465.550 2.915 40 0 JFABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(Cc1ccccc1F)S(C)(=O)=O ZINC000225100360 569975120 /nfs/dbraw/zinc/97/51/20/569975120.db2.gz WFIZGQRIVIVYBY-UHFFFAOYSA-N 0 0 452.533 2.748 40 0 JFABRN Cn1c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2n(C)c1=O ZINC000408616242 569975361 /nfs/dbraw/zinc/97/53/61/569975361.db2.gz FHUGNHFNYLARQJ-UHFFFAOYSA-N 0 0 450.520 2.711 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)S(C)(=O)=O ZINC000408616882 569975821 /nfs/dbraw/zinc/97/58/21/569975821.db2.gz BKYCTHWAWFPXST-UHFFFAOYSA-N 0 0 482.562 2.733 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(C)(=O)=O)cc1 ZINC000408617258 569976057 /nfs/dbraw/zinc/97/60/57/569976057.db2.gz FRVJHGVXAOAMGP-KRWDZBQOSA-N 0 0 482.562 2.813 40 0 JFABRN COc1ccc(N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)cc1OC ZINC000408617420 569976175 /nfs/dbraw/zinc/97/61/75/569976175.db2.gz CWRZGGMXBWJBGP-UHFFFAOYSA-N 0 0 458.920 2.779 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)Cc2ccc(Cl)cc2)cc1 ZINC000408617423 569976191 /nfs/dbraw/zinc/97/61/91/569976191.db2.gz CGOHVECQPWSNDE-UHFFFAOYSA-N 0 0 480.030 2.678 40 0 JFABRN COc1ccc(N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)c(OC)c1 ZINC000408617765 569976283 /nfs/dbraw/zinc/97/62/83/569976283.db2.gz JKTGAEKCZAYYJN-UHFFFAOYSA-N 0 0 458.920 2.779 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C(=O)N1CCOCC1 ZINC000408618349 569976801 /nfs/dbraw/zinc/97/68/01/569976801.db2.gz FTGFTFQCYURPLA-UHFFFAOYSA-N 0 0 478.014 2.940 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000408619046 569977140 /nfs/dbraw/zinc/97/71/40/569977140.db2.gz LISXSQLUVKLRBZ-UHFFFAOYSA-N 0 0 471.938 2.650 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccc(C)c(C)c1 ZINC000408619342 569977282 /nfs/dbraw/zinc/97/72/82/569977282.db2.gz HIPWZDOOKVJERD-UHFFFAOYSA-N 0 0 489.638 2.654 40 0 JFABRN COc1ccc(N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)S(C)(=O)=O)cc1 ZINC000408619849 569977472 /nfs/dbraw/zinc/97/74/72/569977472.db2.gz NZBZQTYLLOOKKT-UHFFFAOYSA-N 0 0 471.501 2.829 40 0 JFABRN COC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000408619903 569977500 /nfs/dbraw/zinc/97/75/00/569977500.db2.gz OHXGQSOHRVCULV-AWEZNQCLSA-N 0 0 456.948 2.704 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225152101 569978365 /nfs/dbraw/zinc/97/83/65/569978365.db2.gz LAKCXKYLZPXSAF-UHFFFAOYSA-N 0 0 491.591 2.926 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1Cl ZINC000408621888 569978518 /nfs/dbraw/zinc/97/85/18/569978518.db2.gz PVUXPKIAIRZPBD-OAHLLOKOSA-N 0 0 465.959 2.654 40 0 JFABRN CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408621799 569978538 /nfs/dbraw/zinc/97/85/38/569978538.db2.gz OGRPFLHLYGZBTG-UHFFFAOYSA-N 0 0 469.529 2.858 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225153917 569978592 /nfs/dbraw/zinc/97/85/92/569978592.db2.gz YDVGKOSLAKVJLL-INIZCTEOSA-N 0 0 491.997 2.818 40 0 JFABRN CCOC(=O)c1c(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)sc2c1CCC2 ZINC000408622723 569978893 /nfs/dbraw/zinc/97/88/93/569978893.db2.gz QUAMBXJVBWIWMQ-UHFFFAOYSA-N 0 0 452.554 2.827 40 0 JFABRN Cc1ccc(CN(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000408625189 569980071 /nfs/dbraw/zinc/98/00/71/569980071.db2.gz VUXXJOFDYQTNSE-UHFFFAOYSA-N 0 0 473.639 2.560 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000408625686 569980282 /nfs/dbraw/zinc/98/02/82/569980282.db2.gz VWVSTHZGXQJISN-UHFFFAOYSA-N 0 0 453.948 2.511 40 0 JFABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)S(C)(=O)=O ZINC000408627692 569981281 /nfs/dbraw/zinc/98/12/81/569981281.db2.gz OUNBFMCMPGYSRZ-MRXNPFEDSA-N 0 0 495.985 2.662 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000408629390 569981523 /nfs/dbraw/zinc/98/15/23/569981523.db2.gz AHYZYFWHHMLBGW-UHFFFAOYSA-N 0 0 470.931 2.857 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000225194752 569981698 /nfs/dbraw/zinc/98/16/98/569981698.db2.gz VLSLGUBSVDCRJS-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000225195660 569981803 /nfs/dbraw/zinc/98/18/03/569981803.db2.gz DVDAYBQCFZZHMM-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccc(Cl)cc2C)cc1 ZINC000408629881 569981849 /nfs/dbraw/zinc/98/18/49/569981849.db2.gz JQNSJILNJSTPHN-UHFFFAOYSA-N 0 0 480.030 2.991 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000225199543 569982019 /nfs/dbraw/zinc/98/20/19/569982019.db2.gz SRPSAMIGZVXLCR-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccc(C)cc2)cc1 ZINC000408630335 569982246 /nfs/dbraw/zinc/98/22/46/569982246.db2.gz RYODMKITOPVARX-UHFFFAOYSA-N 0 0 456.568 2.992 40 0 JFABRN O=S(=O)(c1ccc(CNC(=S)Nc2ccc(Oc3ccccc3)nn2)cc1)N1CCOCC1 ZINC000225221439 569983399 /nfs/dbraw/zinc/98/33/99/569983399.db2.gz YSELJTMUCOSZSD-UHFFFAOYSA-N 0 0 485.591 2.776 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000225224192 569983730 /nfs/dbraw/zinc/98/37/30/569983730.db2.gz FXXBAAYZXJXGTE-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225226830 569983986 /nfs/dbraw/zinc/98/39/86/569983986.db2.gz VZTXSWSUCOUMLF-QZTJIDSGSA-N 0 0 493.601 2.932 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000225259364 569986377 /nfs/dbraw/zinc/98/63/77/569986377.db2.gz HVHXJRVJQRIGEF-OAQYLSRUSA-N 0 0 458.580 2.617 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225263633 569986715 /nfs/dbraw/zinc/98/67/15/569986715.db2.gz YJWVBRAKWAEPIY-QFIPXVFZSA-N 0 0 493.601 2.934 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225263541 569986718 /nfs/dbraw/zinc/98/67/18/569986718.db2.gz PJTJGRHWWWDPNZ-QFIPXVFZSA-N 0 0 493.601 2.934 40 0 JFABRN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000225273933 569987496 /nfs/dbraw/zinc/98/74/96/569987496.db2.gz XOENMSFYRQZXSU-CZUORRHYSA-N 0 0 458.458 2.816 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225277126 569987719 /nfs/dbraw/zinc/98/77/19/569987719.db2.gz KYNOCHHQWGYGPO-FQEVSTJZSA-N 0 0 489.569 2.694 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000225290950 569988658 /nfs/dbraw/zinc/98/86/58/569988658.db2.gz DFQADXQSPUTFCT-UHFFFAOYSA-N 0 0 484.578 2.830 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225372018 569993522 /nfs/dbraw/zinc/99/35/22/569993522.db2.gz QNLUATUXUOKLTI-OSZJIOELSA-N 0 0 469.582 2.668 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225373072 569993636 /nfs/dbraw/zinc/99/36/36/569993636.db2.gz LVXPPBKNHGHROG-QFIPXVFZSA-N 0 0 493.601 2.934 40 0 JFABRN COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc4ccccc43)CC2=O)c1 ZINC000408651251 569994111 /nfs/dbraw/zinc/99/41/11/569994111.db2.gz CURUBXPIQDEVLI-GOSISDBHSA-N 0 0 491.500 2.532 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000408651064 569994119 /nfs/dbraw/zinc/99/41/19/569994119.db2.gz AQVCRMDTXGKXSP-OYRHEFFESA-N 0 0 461.474 2.896 40 0 JFABRN COc1ccc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cc1Cl ZINC000225382654 569994164 /nfs/dbraw/zinc/99/41/64/569994164.db2.gz WBDXPYIRJMDBRM-UHFFFAOYSA-N 0 0 466.987 2.979 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1 ZINC000408651282 569994221 /nfs/dbraw/zinc/99/42/21/569994221.db2.gz DBDWSKWDHCNYJZ-OAHLLOKOSA-N 0 0 463.412 2.689 40 0 JFABRN COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1 ZINC000408651746 569994508 /nfs/dbraw/zinc/99/45/08/569994508.db2.gz DSPZBQNDLOETJK-LJQANCHMSA-N 0 0 496.516 2.821 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000225390411 569994577 /nfs/dbraw/zinc/99/45/77/569994577.db2.gz JNWLDIQBTFOODR-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225393470 569994844 /nfs/dbraw/zinc/99/48/44/569994844.db2.gz UXMDTHYXKPQLHR-ZWKOTPCHSA-N 0 0 493.601 2.932 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225399069 569994912 /nfs/dbraw/zinc/99/49/12/569994912.db2.gz LMCNTUOTFMFPBF-JOCHJYFZSA-N 0 0 475.611 2.795 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225399112 569994921 /nfs/dbraw/zinc/99/49/21/569994921.db2.gz LMCNTUOTFMFPBF-QFIPXVFZSA-N 0 0 475.611 2.795 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000225406055 569995213 /nfs/dbraw/zinc/99/52/13/569995213.db2.gz MNZWGIWXCBBHAC-KRWDZBQOSA-N 0 0 466.003 2.904 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225407112 569995321 /nfs/dbraw/zinc/99/53/21/569995321.db2.gz HZNDUTZIAYTQBK-JOCHJYFZSA-N 0 0 493.601 2.934 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225414918 569995680 /nfs/dbraw/zinc/99/56/80/569995680.db2.gz VJGQKUSCAIFLAH-QHCPKHFHSA-N 0 0 489.638 2.958 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000225437821 569996849 /nfs/dbraw/zinc/99/68/49/569996849.db2.gz RIPBSDFGTZDZFW-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225437172 569996851 /nfs/dbraw/zinc/99/68/51/569996851.db2.gz KHJHBAWYYUJBPV-KRWDZBQOSA-N 0 0 471.554 2.763 40 0 JFABRN CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1 ZINC000408655816 569997117 /nfs/dbraw/zinc/99/71/17/569997117.db2.gz MHOQEQDZTSJTLO-GOSISDBHSA-N 0 0 452.463 2.601 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1OC ZINC000225445923 569997206 /nfs/dbraw/zinc/99/72/06/569997206.db2.gz DCLKTGZPNUEQRB-UHFFFAOYSA-N 0 0 494.957 2.686 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225463505 569997855 /nfs/dbraw/zinc/99/78/55/569997855.db2.gz AUSFABDHQVOIRC-MRXNPFEDSA-N 0 0 496.427 2.541 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225467187 569998014 /nfs/dbraw/zinc/99/80/14/569998014.db2.gz GKQLJCDZRFYXPH-MRXNPFEDSA-N 0 0 467.538 2.673 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)Nc1ccccc1Cl ZINC000408657230 569998080 /nfs/dbraw/zinc/99/80/80/569998080.db2.gz OLXDDDBBBZHXQJ-GFCCVEGCSA-N 0 0 450.278 2.669 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1N1C(=O)CCC1=O ZINC000225471884 569998381 /nfs/dbraw/zinc/99/83/81/569998381.db2.gz GZKBABSRIPHTJW-UHFFFAOYSA-N 0 0 471.535 2.776 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225474375 569998562 /nfs/dbraw/zinc/99/85/62/569998562.db2.gz XMRVBNGBXCDHRB-YLJYHZDGSA-N 0 0 471.579 2.553 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C ZINC000225488006 569999259 /nfs/dbraw/zinc/99/92/59/569999259.db2.gz WXXCPRSDEOJXPA-KRWDZBQOSA-N 0 0 481.565 2.981 40 0 JFABRN COc1ccccc1OC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000225492515 569999589 /nfs/dbraw/zinc/99/95/89/569999589.db2.gz VWJYETGWFXGIBQ-INIZCTEOSA-N 0 0 450.532 2.819 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000225502148 570000390 /nfs/dbraw/zinc/00/03/90/570000390.db2.gz HXPCOPYDEKTZQU-UHFFFAOYSA-N 0 0 470.551 2.771 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000225502774 570000478 /nfs/dbraw/zinc/00/04/78/570000478.db2.gz LPVUFZDHJYRJOT-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c1C ZINC000408661334 570000821 /nfs/dbraw/zinc/00/08/21/570000821.db2.gz VJUDIPHLZZGVFR-INIZCTEOSA-N 0 0 488.338 2.741 40 0 JFABRN Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3)C2)c(C)cc1Br ZINC000408661484 570001024 /nfs/dbraw/zinc/00/10/24/570001024.db2.gz VYUVHXWRMGZLOV-INIZCTEOSA-N 0 0 488.338 2.741 40 0 JFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225510183 570001110 /nfs/dbraw/zinc/00/11/10/570001110.db2.gz HWFIWSADTUGSEW-XMMPIXPASA-N 0 0 497.592 2.978 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)C2)cc1 ZINC000225523105 570002260 /nfs/dbraw/zinc/00/22/60/570002260.db2.gz QLCPMPLHNUDHIX-UXHICEINSA-N 0 0 485.606 2.943 40 0 JFABRN COc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc(OC)c1OC ZINC000225525194 570002447 /nfs/dbraw/zinc/00/24/47/570002447.db2.gz CWDIWSKGTGYGHA-SFHVURJKSA-N 0 0 462.568 2.738 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(CN4CCCC4=O)cc3)C2)cc1 ZINC000225525838 570002498 /nfs/dbraw/zinc/00/24/98/570002498.db2.gz ZQHYEGXJUBGOOL-JOCHJYFZSA-N 0 0 469.607 2.835 40 0 JFABRN Cc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225530171 570002956 /nfs/dbraw/zinc/00/29/56/570002956.db2.gz AFHOHIDKEBEYLW-FQEVSTJZSA-N 0 0 459.612 2.866 40 0 JFABRN Cc1ccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225531301 570003072 /nfs/dbraw/zinc/00/30/72/570003072.db2.gz HBCLMYIMCDADHL-LJQANCHMSA-N 0 0 485.606 2.862 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(OC)ccc3OC)CC2=O)cc1 ZINC000408664400 570003147 /nfs/dbraw/zinc/00/31/47/570003147.db2.gz ZOHQGDJHMMSJQM-KRWDZBQOSA-N 0 0 484.505 2.805 40 0 JFABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1 ZINC000408664450 570003195 /nfs/dbraw/zinc/00/31/95/570003195.db2.gz ZRAGBHLFDVDQSY-ZDUSSCGKSA-N 0 0 464.305 2.977 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000225533425 570003296 /nfs/dbraw/zinc/00/32/96/570003296.db2.gz BPXPJUFIETYOSV-KRWDZBQOSA-N 0 0 497.614 2.896 40 0 JFABRN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(OC)c1OC ZINC000225537115 570003608 /nfs/dbraw/zinc/00/36/08/570003608.db2.gz HAZYTNAFHNTOPI-INIZCTEOSA-N 0 0 466.531 2.569 40 0 JFABRN O=C(NCc1ccc(CN2CCCC2=O)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225538600 570003684 /nfs/dbraw/zinc/00/36/84/570003684.db2.gz AARVYNIZECFNOK-HXUWFJFHSA-N 0 0 473.570 2.665 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1 ZINC000408665407 570003956 /nfs/dbraw/zinc/00/39/56/570003956.db2.gz ROHAUBMMCRFVLC-PMACEKPBSA-N 0 0 464.474 2.948 40 0 JFABRN COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c(OC)c1 ZINC000408667493 570005444 /nfs/dbraw/zinc/00/54/44/570005444.db2.gz UERFVWICRWMMID-RTBURBONSA-N 0 0 464.474 2.955 40 0 JFABRN O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225559457 570005683 /nfs/dbraw/zinc/00/56/83/570005683.db2.gz SKISOSOAPXTLBB-UHFFFAOYSA-N 0 0 479.558 2.890 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225566527 570006194 /nfs/dbraw/zinc/00/61/94/570006194.db2.gz CUCBIPKWACTJSK-GOSISDBHSA-N 0 0 495.045 2.895 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000408669119 570006333 /nfs/dbraw/zinc/00/63/33/570006333.db2.gz WOCBHQMSMZXSHI-UHFFFAOYSA-N 0 0 470.478 2.941 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@@H]4C3=O)cc2)cc1 ZINC000408669346 570006513 /nfs/dbraw/zinc/00/65/13/570006513.db2.gz WDPPBUYNOOTDDW-GNSUPJDDSA-N 0 0 476.485 2.970 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225577809 570007034 /nfs/dbraw/zinc/00/70/34/570007034.db2.gz VFMRIDCGIBILTP-UHFFFAOYSA-N 0 0 477.583 2.646 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1 ZINC000408670806 570007289 /nfs/dbraw/zinc/00/72/89/570007289.db2.gz XGJDNSFNIPKVOZ-RTBURBONSA-N 0 0 464.474 2.955 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)c(C)c2)cc1 ZINC000408674873 570009711 /nfs/dbraw/zinc/00/97/11/570009711.db2.gz LIWJVAXUVAECHB-UHFFFAOYSA-N 0 0 469.519 2.921 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1nc(-c2ccccc2C)no1 ZINC000225627803 570010654 /nfs/dbraw/zinc/01/06/54/570010654.db2.gz QGEBTDXKYXCZDE-UHFFFAOYSA-N 0 0 458.540 2.553 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225654331 570012595 /nfs/dbraw/zinc/01/25/95/570012595.db2.gz LQOXSYYTNFRGQE-UZLBHIALSA-N 0 0 489.569 2.692 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225656163 570012719 /nfs/dbraw/zinc/01/27/19/570012719.db2.gz XQTRJTJRWKIVSW-KRWDZBQOSA-N 0 0 479.574 2.542 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1N1C(=O)CCC1=O ZINC000225689877 570014833 /nfs/dbraw/zinc/01/48/33/570014833.db2.gz HPPOMYCQVJXYDI-UHFFFAOYSA-N 0 0 476.898 2.531 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(=O)N1CCOCC1 ZINC000408693206 570015858 /nfs/dbraw/zinc/01/58/58/570015858.db2.gz KLODRZPUZYXFGJ-UHFFFAOYSA-N 0 0 473.320 2.870 40 0 JFABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc(C(=O)OC)c1 ZINC000408693247 570015899 /nfs/dbraw/zinc/01/58/99/570015899.db2.gz KZUVRPHEFDCVPC-UHFFFAOYSA-N 0 0 490.534 2.695 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000225713341 570016826 /nfs/dbraw/zinc/01/68/26/570016826.db2.gz QJHYLPLVJYGVPS-JOCHJYFZSA-N 0 0 492.617 2.771 40 0 JFABRN COC(=O)c1cc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408695239 570017715 /nfs/dbraw/zinc/01/77/15/570017715.db2.gz OZWMGAAEIPXSDF-UHFFFAOYSA-N 0 0 462.524 2.753 40 0 JFABRN CCCn1c2ccc(S(=O)(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2sc1=O ZINC000225725713 570018032 /nfs/dbraw/zinc/01/80/32/570018032.db2.gz YQRRKYANDBLIRO-UHFFFAOYSA-N 0 0 455.583 2.670 40 0 JFABRN CCOc1cc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)ccc1OC ZINC000225782842 570021291 /nfs/dbraw/zinc/02/12/91/570021291.db2.gz CABFLIBNEIBSQE-UHFFFAOYSA-N 0 0 462.553 2.985 40 0 JFABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000408701074 570021571 /nfs/dbraw/zinc/02/15/71/570021571.db2.gz QXCXXZBAIKSYOO-SFHVURJKSA-N 0 0 459.568 2.957 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)c3ccc(CS(=O)(=O)N4CCN(C)CC4)cc3)s2)cc1 ZINC000225809289 570022929 /nfs/dbraw/zinc/02/29/29/570022929.db2.gz CFFGXVSFRFYDJW-UHFFFAOYSA-N 0 0 487.607 2.543 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)OCO2 ZINC000408704089 570023678 /nfs/dbraw/zinc/02/36/78/570023678.db2.gz JMCQHPNFVYQEFH-UHFFFAOYSA-N 0 0 479.986 2.964 40 0 JFABRN C[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704507 570024047 /nfs/dbraw/zinc/02/40/47/570024047.db2.gz OQORTMNFIOEMLP-MRXNPFEDSA-N 0 0 479.986 2.615 40 0 JFABRN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)CC1 ZINC000225845099 570024429 /nfs/dbraw/zinc/02/44/29/570024429.db2.gz JTJWUNDEFNJCSO-UHFFFAOYSA-N 0 0 457.581 2.535 40 0 JFABRN Cc1nc(SCCNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)n[nH]1 ZINC000225849699 570024651 /nfs/dbraw/zinc/02/46/51/570024651.db2.gz ZTNYZPPJUOGVTO-CQSZACIVSA-N 0 0 457.581 2.775 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)c1ccc2c(c1)OCCO2 ZINC000408705723 570024841 /nfs/dbraw/zinc/02/48/41/570024841.db2.gz LZZPJDFOKXAXTQ-UHFFFAOYSA-N 0 0 494.591 2.980 40 0 JFABRN COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000408713695 570025598 /nfs/dbraw/zinc/02/55/98/570025598.db2.gz NOEBQWSBXPLPLY-KRWDZBQOSA-N 0 0 450.532 2.603 40 0 JFABRN COc1ccc(-c2nnc(CN(C)C(=O)CCCN3C(=O)c4ccccc4C3=O)o2)cc1OC ZINC000408713994 570025700 /nfs/dbraw/zinc/02/57/00/570025700.db2.gz FXLFFOIRKIEGJR-UHFFFAOYSA-N 0 0 464.478 2.789 40 0 JFABRN C[C@@H]1CCCN(c2cc(N3CCC[C@@H](C)C3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225904199 570026750 /nfs/dbraw/zinc/02/67/50/570026750.db2.gz PRKRXYBQMFDXIK-RTBURBONSA-N 0 0 461.680 2.568 40 0 JFABRN Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)c1 ZINC000225928110 570028067 /nfs/dbraw/zinc/02/80/67/570028067.db2.gz YMLUIIDCOMNFMI-UHFFFAOYSA-N 0 0 459.597 2.618 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N[C@@H]1c1ccc(O)c(OC)c1 ZINC000408730245 570028900 /nfs/dbraw/zinc/02/89/00/570028900.db2.gz GEXFNTQKJBMAIS-ZRELAVNMSA-N 0 0 480.542 2.630 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N[C@@H]1c1ccc(OC)cc1 ZINC000408730574 570029078 /nfs/dbraw/zinc/02/90/78/570029078.db2.gz IGJNJYQZVFSZGQ-FBHQFGEZSA-N 0 0 464.543 2.924 40 0 JFABRN CCOC(=O)COc1ccc(NC(=O)[C@@]2(C)CCCN(Cc3ccccc3)S2(=O)=O)cc1 ZINC000225952408 570029467 /nfs/dbraw/zinc/02/94/67/570029467.db2.gz LPHCUWGBRVDGHM-HSZRJFAPSA-N 0 0 460.552 2.952 40 0 JFABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1 ZINC000225970898 570030333 /nfs/dbraw/zinc/03/03/33/570030333.db2.gz RLMZOTUGMBQLIV-UHFFFAOYSA-N 0 0 482.654 2.948 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408737609 570030878 /nfs/dbraw/zinc/03/08/78/570030878.db2.gz DVOHIXJAKWRJTK-LJJBLSSYSA-N 0 0 494.569 2.911 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738010 570031011 /nfs/dbraw/zinc/03/10/11/570031011.db2.gz HVEJUDWLOJGAPY-FBHQFGEZSA-N 0 0 464.543 2.903 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 ZINC000226007798 570032225 /nfs/dbraw/zinc/03/22/25/570032225.db2.gz TXYFCKFYBGDNBH-HSZRJFAPSA-N 0 0 498.532 2.984 40 0 JFABRN COc1cc(CN(C)C(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC ZINC000226037380 570033735 /nfs/dbraw/zinc/03/37/35/570033735.db2.gz XQBUPSBVEHZNEC-UHFFFAOYSA-N 0 0 464.584 2.917 40 0 JFABRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCSc2nc[nH]n2)c(C)c1 ZINC000226041328 570033739 /nfs/dbraw/zinc/03/37/39/570033739.db2.gz KJCWHIDTOLBCCX-UHFFFAOYSA-N 0 0 487.651 2.872 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCSc1nc[nH]n1)c1ccc(Cl)cc1 ZINC000226050507 570034329 /nfs/dbraw/zinc/03/43/29/570034329.db2.gz AFYILJYYJZEBCT-UHFFFAOYSA-N 0 0 496.014 2.879 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc[nH]n2)Cc2ccccc2)cc1C ZINC000226060916 570035132 /nfs/dbraw/zinc/03/51/32/570035132.db2.gz XRURFCQIXOZSLM-UHFFFAOYSA-N 0 0 489.623 2.611 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccccc2)cc1 ZINC000226064736 570035327 /nfs/dbraw/zinc/03/53/27/570035327.db2.gz NRAFOUVJARJOSU-UHFFFAOYSA-N 0 0 481.574 2.943 40 0 JFABRN O=C(NCCSc1n[nH]c(-c2ccccc2)n1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000226071803 570035759 /nfs/dbraw/zinc/03/57/59/570035759.db2.gz PHIDCHHEHOWSTG-UHFFFAOYSA-N 0 0 471.608 2.781 40 0 JFABRN O=C(NCCSc1n[nH]c(-c2ccccc2)n1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000226073892 570036080 /nfs/dbraw/zinc/03/60/80/570036080.db2.gz PKUCQVBDCZUNBR-UHFFFAOYSA-N 0 0 489.598 2.920 40 0 JFABRN O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000226081947 570036485 /nfs/dbraw/zinc/03/64/85/570036485.db2.gz QMMDAKWBUDCZMR-QGZVFWFLSA-N 0 0 489.598 2.920 40 0 JFABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1 ZINC000226086794 570036865 /nfs/dbraw/zinc/03/68/65/570036865.db2.gz JMVZSAARANBUOA-HNNXBMFYSA-N 0 0 470.551 2.840 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2)n1 ZINC000226088234 570036919 /nfs/dbraw/zinc/03/69/19/570036919.db2.gz XMDRTVLSUVPDKL-GOSISDBHSA-N 0 0 452.536 2.785 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(Cc2cccnc2)C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@@]3(C)C=C[C@@]12O3 ZINC000231613388 570046656 /nfs/dbraw/zinc/04/66/56/570046656.db2.gz CHVLMVOAOQLBBG-QCFCARSOSA-N 0 0 492.551 2.815 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000231644680 570046827 /nfs/dbraw/zinc/04/68/27/570046827.db2.gz QGEGYURRMPKSKK-QTDDQOEGSA-N 0 0 482.558 2.710 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)occ(-c2ccccc2)c3=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238900273 570047463 /nfs/dbraw/zinc/04/74/63/570047463.db2.gz IKJNNQJEFRCUHB-CLGXGOCFSA-N 0 0 568.531 2.922 40 0 JFABRN CCOC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3cccs3)[C@@H]2C1=O ZINC000238924112 570047988 /nfs/dbraw/zinc/04/79/88/570047988.db2.gz RBCZJILDZWSGIA-MQBYHPHHSA-N 0 0 490.628 2.924 40 0 JFABRN CCc1c(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O ZINC000238937392 570048105 /nfs/dbraw/zinc/04/81/05/570048105.db2.gz VBEJBERDNOPXME-HPLFBIAMSA-N 0 0 630.599 2.571 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000245229678 570056190 /nfs/dbraw/zinc/05/61/90/570056190.db2.gz CXLBCXITWVXHHO-PABYOWBDSA-N 0 0 488.587 2.634 40 0 JFABRN CCC[C@]1(C(=O)OC)N[C@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000245229788 570056192 /nfs/dbraw/zinc/05/61/92/570056192.db2.gz FRBXZKHVONDOQG-IFOBJOEFSA-N 0 0 496.516 2.595 40 0 JFABRN CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000245230503 570056586 /nfs/dbraw/zinc/05/65/86/570056586.db2.gz SXLYGBGVPSJFHR-SRCYTUNASA-N 0 0 480.517 2.716 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408862229 570057459 /nfs/dbraw/zinc/05/74/59/570057459.db2.gz XSJJQFKLDMZNJB-SRKIZSPNSA-N 0 0 453.539 2.893 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408867927 570058603 /nfs/dbraw/zinc/05/86/03/570058603.db2.gz MNWOIBWGTHIGCZ-PZHBDVNGSA-N 0 0 479.558 2.837 40 0 JFABRN COC(=O)COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1I ZINC000408902518 570069459 /nfs/dbraw/zinc/06/94/59/570069459.db2.gz IWTLJFUZZWAWAR-SXGWCWSVSA-N 0 0 492.294 2.613 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Sc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000252430688 570080465 /nfs/dbraw/zinc/08/04/65/570080465.db2.gz FDRTYADXAMZRMR-CENDIDJXSA-N 0 0 474.915 2.515 40 0 JFABRN O=C(Cn1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21)N1CCOCC1 ZINC000408962428 570086347 /nfs/dbraw/zinc/08/63/47/570086347.db2.gz RWROYCFIDZZIHY-BKUYFWCQSA-N 0 0 462.481 2.732 40 0 JFABRN O=C(CN1C(=O)N/C(=C\c2ccc(O)c(I)c2)C1=O)Nc1ccccc1F ZINC000408963906 570086830 /nfs/dbraw/zinc/08/68/30/570086830.db2.gz PYUZYXRCCULBOP-ZSOIEALJSA-N 0 0 481.221 2.667 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408986773 570092587 /nfs/dbraw/zinc/09/25/87/570092587.db2.gz PDQJRHCQZYEPDX-ACEGTKJHSA-N 0 0 470.572 2.877 40 0 JFABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NC[C@H]1CCCO1 ZINC000408988865 570093239 /nfs/dbraw/zinc/09/32/39/570093239.db2.gz RVEFQBAQLZBSQF-LJQANCHMSA-N 0 0 481.412 2.978 40 0 JFABRN O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)c1ccc(Br)cc1 ZINC000409000335 570096178 /nfs/dbraw/zinc/09/61/78/570096178.db2.gz VNLGZDLWTCFNBI-MSOLQXFVSA-N 0 0 462.296 2.947 40 0 JFABRN O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C1CCC1)CC2=O)N1CCOCC1 ZINC000253405701 570097079 /nfs/dbraw/zinc/09/70/79/570097079.db2.gz SZLNTSLDXSKYIG-CJNRHSBSSA-N 0 0 467.610 2.703 40 0 JFABRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409014879 570100832 /nfs/dbraw/zinc/10/08/32/570100832.db2.gz QNDKCPSWKUFMAP-HKWRFOASSA-N 0 0 498.561 2.628 40 0 JFABRN O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCCO3)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409016964 570101441 /nfs/dbraw/zinc/10/14/41/570101441.db2.gz UMVRSTURIZEQGK-RCCKNPSSSA-N 0 0 465.531 2.843 40 0 JFABRN Cc1cccc(CN(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409019397 570102519 /nfs/dbraw/zinc/10/25/19/570102519.db2.gz RZHKQVGEIAUEJI-UHFFFAOYSA-N 0 0 463.987 2.563 40 0 JFABRN NC(=O)C1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000409024890 570104085 /nfs/dbraw/zinc/10/40/85/570104085.db2.gz YTSLJSYGQZYCFO-UHFFFAOYSA-N 0 0 484.405 2.908 40 0 JFABRN NC(=O)C1CCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000409025479 570104239 /nfs/dbraw/zinc/10/42/39/570104239.db2.gz VOFGIPVZNUQMRM-UHFFFAOYSA-N 0 0 470.378 2.913 40 0 JFABRN COc1ccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c(OC)c1 ZINC000409028074 570105058 /nfs/dbraw/zinc/10/50/58/570105058.db2.gz JOUXVVBRKBRTPC-UHFFFAOYSA-N 0 0 490.319 2.713 40 0 JFABRN COc1cccc(N(CC(=O)Nc2ccccc2C(N)=O)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000409029083 570105514 /nfs/dbraw/zinc/10/55/14/570105514.db2.gz VPXHJYBVLXBJMB-UHFFFAOYSA-N 0 0 453.520 2.937 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(C(=O)OC)cc3)sc2=N1 ZINC000409034011 570106281 /nfs/dbraw/zinc/10/62/81/570106281.db2.gz MXIKLGNSEYOAQP-LUDQZLGDSA-N 0 0 462.527 2.585 40 0 JFABRN COc1ccc(NC(=O)COc2ccccc2/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1 ZINC000256055529 570106918 /nfs/dbraw/zinc/10/69/18/570106918.db2.gz JTEPGKWCPRTPHR-STZFKDTASA-N 0 0 485.525 2.787 40 0 JFABRN COc1ccccc1NC(=O)COc1cccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)c1 ZINC000256055399 570106932 /nfs/dbraw/zinc/10/69/32/570106932.db2.gz FNWFSISISFAXOG-STZFKDTASA-N 0 0 485.525 2.787 40 0 JFABRN COc1cc(/C=c2\sc3ncnn3c2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000256055634 570106933 /nfs/dbraw/zinc/10/69/33/570106933.db2.gz NZDGUTQASBVSMT-IUXPMGMMSA-N 0 0 476.436 2.744 40 0 JFABRN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000257199230 570107584 /nfs/dbraw/zinc/10/75/84/570107584.db2.gz XFWSZALVEWOUNG-CUMRGQLISA-N 0 0 494.551 2.999 40 0 JFABRN Cn1nccc1CCC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 ZINC000257200140 570107713 /nfs/dbraw/zinc/10/77/13/570107713.db2.gz ACEALEXMCMPBRK-RUZDIDTESA-N 0 0 489.016 2.943 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(OC)c(OC)c(OC)c3)sc2=N1 ZINC000409042185 570107778 /nfs/dbraw/zinc/10/77/78/570107778.db2.gz BTYTWBHFRCDAKQ-FBHQFGEZSA-N 0 0 494.569 2.824 40 0 JFABRN O=C(c1ccccc1OCCN1CCCC1=O)N1CCOC[C@H](Cc2cccc3n[nH]cc32)C1 ZINC000257200902 570107974 /nfs/dbraw/zinc/10/79/74/570107974.db2.gz AFHLIVQUXHLVNV-LJQANCHMSA-N 0 0 462.550 2.895 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OC)c(OC)c3)sc2=N1 ZINC000409043276 570107976 /nfs/dbraw/zinc/10/79/76/570107976.db2.gz DQVVEAPENRMVBQ-FBHQFGEZSA-N 0 0 464.543 2.816 40 0 JFABRN O=C(c1ccccc1OCCN1CCOCC1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)O2 ZINC000257204314 570109106 /nfs/dbraw/zinc/10/91/06/570109106.db2.gz ATYBXUJWRGEVJT-VWLOTQADSA-N 0 0 451.523 2.639 40 0 JFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)n1 ZINC000257206203 570109738 /nfs/dbraw/zinc/10/97/38/570109738.db2.gz BCHXJIHXLRCOIH-MRXNPFEDSA-N 0 0 455.946 2.718 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OC(C)=O)c(OC)c3)sc2=N1 ZINC000409050626 570109796 /nfs/dbraw/zinc/10/97/96/570109796.db2.gz XXLARDMGCCJASF-CVGPFBNFSA-N 0 0 492.553 2.732 40 0 JFABRN O=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@@]2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000257206349 570109876 /nfs/dbraw/zinc/10/98/76/570109876.db2.gz BCYFHBKCEFBNLK-SANMLTNESA-N 0 0 464.566 2.978 40 0 JFABRN CNC(=O)c1cccc([C@@H]2CN(CC(=O)NCc3ccc4[nH]c(C)c(C)c4c3)CCN2C(C)=O)c1 ZINC000257207697 570110200 /nfs/dbraw/zinc/11/02/00/570110200.db2.gz BIUOTBWCAUEROC-VWLOTQADSA-N 0 0 475.593 2.666 40 0 JFABRN CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1ccc(Cn2cccn2)cc1 ZINC000257208482 570110566 /nfs/dbraw/zinc/11/05/66/570110566.db2.gz BMJCJEDWQKVXIR-SANMLTNESA-N 0 0 456.550 2.978 40 0 JFABRN CNc1nc([C@@H]2CCCCN2C(=O)CCn2cnc3ccccc32)nc2c1CCN(C(C)=O)C2 ZINC000257211201 570111411 /nfs/dbraw/zinc/11/14/11/570111411.db2.gz BXWPVBVILYAEBL-QFIPXVFZSA-N 0 0 461.570 2.917 40 0 JFABRN C[C@H](c1ccccc1)N(C[C@@H]1C[C@H](O)[C@@H](n2cnc3c2ncnc3N)[C@@H]1O)C(=O)OC(C)(C)C ZINC000257211185 570111477 /nfs/dbraw/zinc/11/14/77/570111477.db2.gz BXUJFNTUIUISJA-SQRAORDBSA-N 0 0 468.558 2.690 40 0 JFABRN CC1(C)C(=O)NCCN1C(=O)CCC(=O)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000257213697 570112223 /nfs/dbraw/zinc/11/22/23/570112223.db2.gz CISKFGYNPOJXFB-IBGZPJMESA-N 0 0 469.973 2.978 40 0 JFABRN Cn1c2ccc(NC(=O)CN3C[C@@H](c4cc(F)cc(F)c4)[C@]4(C3)CCCCC(=O)N4)cc2n(C)c1=O ZINC000257214543 570112431 /nfs/dbraw/zinc/11/24/31/570112431.db2.gz CMJVAMSZEFYCLR-RXFWQSSRSA-N 0 0 497.546 2.622 40 0 JFABRN COc1ccc(C(=O)N2CC[C@@H](Cc3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C)CC4)n3)C2)cc1 ZINC000257214466 570112452 /nfs/dbraw/zinc/11/24/52/570112452.db2.gz CMCPIUIBLQQUIL-IBGZPJMESA-N 0 0 490.612 2.717 40 0 JFABRN CC(C)(C)c1ccc2c(c1)N(CC(=O)N1CCCC[C@@H]1c1ccnc3c(C(N)=O)cnn31)C(=O)CO2 ZINC000257221138 570114401 /nfs/dbraw/zinc/11/44/01/570114401.db2.gz DNQQBTSSHUIMEI-GOSISDBHSA-N 0 0 490.564 2.605 40 0 JFABRN Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)NCCc2ccccc2)n1C ZINC000409061686 570114553 /nfs/dbraw/zinc/11/45/53/570114553.db2.gz ZWIMILHHKYDVCA-UHFFFAOYSA-N 0 0 467.595 2.578 40 0 JFABRN CCc1nccn1CC(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257223058 570115021 /nfs/dbraw/zinc/11/50/21/570115021.db2.gz DVSXTORVPCCMMP-RUZDIDTESA-N 0 0 472.561 2.521 40 0 JFABRN O=C(CNC(=O)c1cncc(O)c1)N1CCC[C@@]2(C[C@@H](Oc3ccc(F)c(Cl)c3)CO2)C1 ZINC000257234080 570118303 /nfs/dbraw/zinc/11/83/03/570118303.db2.gz GRZPQSBOPOFRSL-VGOFRKELSA-N 0 0 463.893 2.539 40 0 JFABRN O=C(c1ccccc1OCCN1CCOCC1)N1CC[C@@]2(CN(Cc3ccccc3)C(=O)O2)C1 ZINC000257237378 570119367 /nfs/dbraw/zinc/11/93/67/570119367.db2.gz HGFPCWSNKPLGNM-SANMLTNESA-N 0 0 465.550 2.635 40 0 JFABRN CCc1nccn1CC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257237763 570119506 /nfs/dbraw/zinc/11/95/06/570119506.db2.gz HIBJQDBQRHJRJL-RXVVDRJESA-N 0 0 474.989 2.644 40 0 JFABRN CN1C(=O)N(CC(=O)N2CCCC[C@@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)C(=O)C12CCCCC2 ZINC000257243681 570121192 /nfs/dbraw/zinc/12/11/92/570121192.db2.gz IIBLHITUCAHRLM-HXUWFJFHSA-N 0 0 484.601 2.733 40 0 JFABRN CC(C)Cc1cc(C(=O)N2CC[C@H]3NC(=O)COc4ccccc4C/C=C/C[C@H]3C2)[nH]c(=O)n1 ZINC000257257665 570125577 /nfs/dbraw/zinc/12/55/77/570125577.db2.gz KQPRPTOAVUUQBZ-AWJROHARSA-N 0 0 464.566 2.909 40 0 JFABRN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccccc2NC(=O)CN2CCOCC2)n1 ZINC000257259879 570126224 /nfs/dbraw/zinc/12/62/24/570126224.db2.gz LALFICVVBKOKTQ-QHCPKHFHSA-N 0 0 474.565 2.824 40 0 JFABRN CC(C)(NC(=O)Cc1cccc(F)c1)C(=O)N1CCOC[C@H](Cc2cccn3nccc23)C1 ZINC000257261042 570126689 /nfs/dbraw/zinc/12/66/89/570126689.db2.gz LFMHZSYCWNLFCD-LJQANCHMSA-N 0 0 452.530 2.628 40 0 JFABRN CC(C)(NC(=O)Cc1cccc(F)c1)C(=O)N1CCOC[C@@H](Cc2cccn3nccc23)C1 ZINC000257261041 570126738 /nfs/dbraw/zinc/12/67/38/570126738.db2.gz LFMHZSYCWNLFCD-IBGZPJMESA-N 0 0 452.530 2.628 40 0 JFABRN CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc2nc3ccc(C)cc3s2)[C@H]1c1ccccc1 ZINC000257262638 570127230 /nfs/dbraw/zinc/12/72/30/570127230.db2.gz LMEHKHKNIIUMBJ-JTAQYXEDSA-N 0 0 479.606 2.952 40 0 JFABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)CCN2C(=O)COCC2=O)n1 ZINC000257273082 570130643 /nfs/dbraw/zinc/13/06/43/570130643.db2.gz NFEDGXKSNKPHDY-LJQANCHMSA-N 0 0 485.972 2.692 40 0 JFABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)CCN2C(=O)COCC2=O)n1 ZINC000257273081 570130645 /nfs/dbraw/zinc/13/06/45/570130645.db2.gz NFEDGXKSNKPHDY-IBGZPJMESA-N 0 0 485.972 2.692 40 0 JFABRN CN1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3ccccc3F)C2)CC1 ZINC000257273364 570130651 /nfs/dbraw/zinc/13/06/51/570130651.db2.gz NGFXTWGSVNSSNL-RUZDIDTESA-N 0 0 489.613 2.840 40 0 JFABRN Cn1c(CCC(=O)N2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)nc2cc(Cl)ccc21 ZINC000257274608 570131041 /nfs/dbraw/zinc/13/10/41/570131041.db2.gz NLVNFJHBAXIUKI-NHCUHLMSSA-N 0 0 465.941 2.657 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409109555 570131638 /nfs/dbraw/zinc/13/16/38/570131638.db2.gz HERDCDFOLXIVHZ-HQMFNGAOSA-N 0 0 497.935 2.913 40 0 JFABRN Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN3C(=O)CN3CC[NH+](C(C)C)CC3)n2)nc1 ZINC000257277955 570132063 /nfs/dbraw/zinc/13/20/63/570132063.db2.gz OADJLHYICQJLSG-QFIPXVFZSA-N 0 0 450.587 2.727 40 0 JFABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000409116308 570134241 /nfs/dbraw/zinc/13/42/41/570134241.db2.gz NIYHUSYFLGAURL-HNNXBMFYSA-N 0 0 463.556 2.637 40 0 JFABRN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ccc3[nH]c(C)nc3c1)C2 ZINC000257286677 570134581 /nfs/dbraw/zinc/13/45/81/570134581.db2.gz PMNLJCXQTSGDJL-GDKKVTFASA-N 0 0 488.592 2.610 40 0 JFABRN CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3nccs3)CCO2)CC1 ZINC000257291252 570135871 /nfs/dbraw/zinc/13/58/71/570135871.db2.gz QGGLNYSANSBAFU-JOCHJYFZSA-N 0 0 465.019 2.611 40 0 JFABRN O=C([O-])CCC(=O)N[C@@H]1C[C@@H](Oc2cccc(Cl)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257292136 570136141 /nfs/dbraw/zinc/13/61/41/570136141.db2.gz QKDITJNZYDOZAI-CHOVIJNXSA-N 0 0 458.942 2.629 40 0 JFABRN CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257293177 570136509 /nfs/dbraw/zinc/13/65/09/570136509.db2.gz QOLFSBXWXQPASV-XMMPIXPASA-N 0 0 479.581 2.508 40 0 JFABRN COCCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(I)c2)C1=O ZINC000409124311 570137175 /nfs/dbraw/zinc/13/71/75/570137175.db2.gz BFIMOWBYYABARY-MDWZMJQESA-N 0 0 477.276 2.526 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000409126413 570138244 /nfs/dbraw/zinc/13/82/44/570138244.db2.gz OUGFHVXYPXGOID-UHFFFAOYSA-N 0 0 451.976 2.772 40 0 JFABRN COc1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccnc(N3CCOCC3)c2)c1 ZINC000257300299 570138506 /nfs/dbraw/zinc/13/85/06/570138506.db2.gz RTUACWINDPSLCS-NRFANRHFSA-N 0 0 460.538 2.943 40 0 JFABRN CNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)CCCNc3ncccn3)ccc2c1N ZINC000257303807 570139462 /nfs/dbraw/zinc/13/94/62/570139462.db2.gz SIUDONDJAIUCDR-INIZCTEOSA-N 0 0 453.572 2.974 40 0 JFABRN CNc1cc(C)nc([C@]2(C)CCCN(C(=O)c3cccc(N4CCCCS4(=O)=O)c3)C2)n1 ZINC000257305664 570140036 /nfs/dbraw/zinc/14/00/36/570140036.db2.gz SQYGSNBTUOXBMY-HSZRJFAPSA-N 0 0 457.600 2.951 40 0 JFABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@]2(CN(CCc3ccccc3)C(=O)CO2)CC1 ZINC000257309554 570141288 /nfs/dbraw/zinc/14/12/88/570141288.db2.gz UBKABZUZGRAWKS-SANMLTNESA-N 0 0 459.550 2.734 40 0 JFABRN COC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)c1 ZINC000409135373 570142008 /nfs/dbraw/zinc/14/20/08/570142008.db2.gz UQVAMCXCKKSAJJ-AWEZNQCLSA-N 0 0 453.524 2.824 40 0 JFABRN Cc1ccc(NC(=O)COc2ccccc2/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 ZINC000409136886 570142759 /nfs/dbraw/zinc/14/27/59/570142759.db2.gz TWTCZQPGCLLUQJ-KGENOOAVSA-N 0 0 495.557 2.908 40 0 JFABRN CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)oc(=O)n3C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000257316101 570143335 /nfs/dbraw/zinc/14/33/35/570143335.db2.gz VEDBPBKSGKEAIK-LJQANCHMSA-N 0 0 476.455 2.994 40 0 JFABRN CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@H]2c2cncc(Cc3cccc(Cl)c3)n2)ccc1=O ZINC000257318844 570144062 /nfs/dbraw/zinc/14/40/62/570144062.db2.gz VPPQCTJAIHIWNV-QFIPXVFZSA-N 0 0 479.968 2.948 40 0 JFABRN O=C(CCN1C(=O)COCC1=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257319279 570144293 /nfs/dbraw/zinc/14/42/93/570144293.db2.gz VRRZEHZUPVEOFP-QGZVFWFLSA-N 0 0 464.444 2.925 40 0 JFABRN Cc1nn(C)cc1NC(=O)CN1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 ZINC000257324046 570145600 /nfs/dbraw/zinc/14/56/00/570145600.db2.gz WMXXYDPRRAUOEH-JOCHJYFZSA-N 0 0 472.977 2.749 40 0 JFABRN O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409144358 570146086 /nfs/dbraw/zinc/14/60/86/570146086.db2.gz KSAVIHXVNLEGNB-UDWIEESQSA-N 0 0 467.503 2.927 40 0 JFABRN COc1ccc(C2=NO[C@@](C)(C(=O)N3CCC[C@@](C(=O)N(C)C)(c4ccccn4)C3)C2)cc1 ZINC000257327676 570146810 /nfs/dbraw/zinc/14/68/10/570146810.db2.gz XCFYOQUFEYCACL-RPBOFIJWSA-N 0 0 450.539 2.622 40 0 JFABRN CC(=O)N1CCC(C(=O)N(C)[C@H]2CC[C@@]3(CCO)C[C@H](c4ccccc4)C[C@](C)(O3)[C@@H]2O)CC1 ZINC000257327970 570146948 /nfs/dbraw/zinc/14/69/48/570146948.db2.gz XDPOFNMBWYHZHF-XCYZDHOTSA-N 0 0 472.626 2.701 40 0 JFABRN CC(=O)NCC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257331223 570147938 /nfs/dbraw/zinc/14/79/38/570147938.db2.gz XRWQHRADBHQSRS-PXNSSMCTSA-N 0 0 480.403 2.584 40 0 JFABRN Nc1ncnc2c1ncn2[C@H]1CCC[C@H](NC(=O)CCCc2nc3cc(Cl)ccc3[nH]2)[C@@H]1O ZINC000257333275 570148589 /nfs/dbraw/zinc/14/85/89/570148589.db2.gz YAXNGAWMAKWOHM-UVFQYZLESA-N 0 0 468.949 2.532 40 0 JFABRN CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCCN(C(=O)C2(Cc3ccccc3F)CCOCC2)C1 ZINC000257337386 570149684 /nfs/dbraw/zinc/14/96/84/570149684.db2.gz YSPAPBZRIXHQSZ-KRWDZBQOSA-N 0 0 463.575 2.773 40 0 JFABRN CN1CCN(C(=O)C[C@H]2CN(C(=O)COc3ccc(F)cc3)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257339300 570150279 /nfs/dbraw/zinc/15/02/79/570150279.db2.gz ZBDMCZYBXHMXJH-CYFREDJKSA-N 0 0 487.547 2.804 40 0 JFABRN O=C(c1ccccc1OCCN1CCCC1=O)N1CC[C@]2(CN(Cc3ccccc3)C(=O)O2)C1 ZINC000257340969 570150732 /nfs/dbraw/zinc/15/07/32/570150732.db2.gz ZIHOJZVUTDRWED-AREMUKBSSA-N 0 0 463.534 2.925 40 0 JFABRN O=C(CN1CCC[C@@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1)N1CC(=O)Nc2ccccc21 ZINC000257342339 570150936 /nfs/dbraw/zinc/15/09/36/570150936.db2.gz ZOESZFOXXPRFPS-DEOSSOPVSA-N 0 0 452.486 2.992 40 0 JFABRN Cc1nn(C)cc1C(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257344333 570151629 /nfs/dbraw/zinc/15/16/29/570151629.db2.gz ZWSYKXXWPPFLSG-RUZDIDTESA-N 0 0 488.032 2.847 40 0 JFABRN COC(=O)c1ccc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)cc1 ZINC000409160983 570152037 /nfs/dbraw/zinc/15/20/37/570152037.db2.gz RWWUXWFEDFXCDS-UHFFFAOYSA-N 0 0 453.524 2.615 40 0 JFABRN CCc1ccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2C)cc1 ZINC000409162609 570152485 /nfs/dbraw/zinc/15/24/85/570152485.db2.gz GJBOIDBFQSGRNS-UHFFFAOYSA-N 0 0 453.568 2.976 40 0 JFABRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O ZINC000409166560 570153516 /nfs/dbraw/zinc/15/35/16/570153516.db2.gz FFTAVHOKQLMDEZ-KGENOOAVSA-N 0 0 495.557 2.908 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260707305 570154699 /nfs/dbraw/zinc/15/46/99/570154699.db2.gz BGDHKQLCQSPZMJ-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260733835 570155556 /nfs/dbraw/zinc/15/55/56/570155556.db2.gz KWHZXINFXGDNTE-GOSISDBHSA-N 0 0 493.601 2.851 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260733786 570155628 /nfs/dbraw/zinc/15/56/28/570155628.db2.gz KUSUEJFEHOTSEY-LJQANCHMSA-N 0 0 475.611 2.793 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3c(OC)cccc3OC)C2)cc1 ZINC000260734355 570155714 /nfs/dbraw/zinc/15/57/14/570155714.db2.gz HURZFOLJEUYYGE-KRWDZBQOSA-N 0 0 462.568 2.820 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260740830 570155950 /nfs/dbraw/zinc/15/59/50/570155950.db2.gz MWXAPORLFYCWHD-HXUWFJFHSA-N 0 0 489.638 2.836 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000260740956 570155955 /nfs/dbraw/zinc/15/59/55/570155955.db2.gz BYVSMDYKPXCWSG-CABCVRRESA-N 0 0 464.540 2.507 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC)S(C)(=O)=O ZINC000260749037 570156336 /nfs/dbraw/zinc/15/63/36/570156336.db2.gz BLHSJABYRCAHLL-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN COc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000260748851 570156341 /nfs/dbraw/zinc/15/63/41/570156341.db2.gz CENRUTXKEAJRLH-LJQANCHMSA-N 0 0 489.638 2.836 40 0 JFABRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000260746446 570156345 /nfs/dbraw/zinc/15/63/45/570156345.db2.gz XNGSOXDNTQPXBP-MGPUTAFESA-N 0 0 468.597 2.521 40 0 JFABRN COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 ZINC000260749193 570156511 /nfs/dbraw/zinc/15/65/11/570156511.db2.gz UEHSKRHVWYGANB-WMZOPIPTSA-N 0 0 462.568 2.991 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260752629 570156552 /nfs/dbraw/zinc/15/65/52/570156552.db2.gz HDPUNLZHDUUBJI-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000260752737 570156601 /nfs/dbraw/zinc/15/66/01/570156601.db2.gz DHAFTYVLVXLRSQ-QGZVFWFLSA-N 0 0 493.601 2.932 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260758836 570156689 /nfs/dbraw/zinc/15/66/89/570156689.db2.gz NAOOQLIEIRZYMR-MRXNPFEDSA-N 0 0 466.003 2.832 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000260756069 570156717 /nfs/dbraw/zinc/15/67/17/570156717.db2.gz DZCJXNBRGBBBRK-QGZVFWFLSA-N 0 0 493.601 2.932 40 0 JFABRN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)C1 ZINC000260753547 570156721 /nfs/dbraw/zinc/15/67/21/570156721.db2.gz ZPPMDUUGACHHEV-INIZCTEOSA-N 0 0 498.026 2.702 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260761269 570156967 /nfs/dbraw/zinc/15/69/67/570156967.db2.gz SYUFBRSLNLQDHA-MRXNPFEDSA-N 0 0 497.564 2.681 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 ZINC000260764507 570157261 /nfs/dbraw/zinc/15/72/61/570157261.db2.gz UIPLRGSAWCQMOK-QGZVFWFLSA-N 0 0 481.565 2.981 40 0 JFABRN CCc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260767941 570157427 /nfs/dbraw/zinc/15/74/27/570157427.db2.gz VSSJCJCQBYVKRV-HXUWFJFHSA-N 0 0 473.639 2.999 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000260801866 570158708 /nfs/dbraw/zinc/15/87/08/570158708.db2.gz QOYSZHMSNLVODZ-LJQANCHMSA-N 0 0 487.622 2.937 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)Cc1ccccc1Cl ZINC000260808254 570158858 /nfs/dbraw/zinc/15/88/58/570158858.db2.gz HURHLGULBVWMRB-QGZVFWFLSA-N 0 0 479.986 2.649 40 0 JFABRN CN([C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1)S(C)(=O)=O ZINC000260812967 570159046 /nfs/dbraw/zinc/15/90/46/570159046.db2.gz NHZASGRKGQBXPQ-IBGZPJMESA-N 0 0 455.502 2.987 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 ZINC000260813179 570159065 /nfs/dbraw/zinc/15/90/65/570159065.db2.gz QDLLPURXWHHFTN-GJZGRUSLSA-N 0 0 466.556 2.753 40 0 JFABRN CS(=O)(=O)N1CCc2cc(C(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)ccc21 ZINC000260828289 570159418 /nfs/dbraw/zinc/15/94/18/570159418.db2.gz NNSKXKINUNJRIW-XMMPIXPASA-N 0 0 491.569 2.733 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260854865 570161016 /nfs/dbraw/zinc/16/10/16/570161016.db2.gz FXWWRAKHQJTSFD-QGZVFWFLSA-N 0 0 491.585 2.736 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260865549 570161238 /nfs/dbraw/zinc/16/12/38/570161238.db2.gz CJAYDNLGLZMGMK-GOSISDBHSA-N 0 0 493.601 2.790 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000260883613 570161419 /nfs/dbraw/zinc/16/14/19/570161419.db2.gz CHIPLHYSRLAAOP-MOPGFXCFSA-N 0 0 477.602 2.966 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000260884699 570161447 /nfs/dbraw/zinc/16/14/47/570161447.db2.gz JJDKSABAFRKRDK-OALUTQOASA-N 0 0 475.611 2.793 40 0 JFABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O ZINC000260892651 570162071 /nfs/dbraw/zinc/16/20/71/570162071.db2.gz BTFISFKTWACFHT-GOSISDBHSA-N 0 0 480.030 2.952 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000260896222 570162286 /nfs/dbraw/zinc/16/22/86/570162286.db2.gz DHOXVLXSPLGEGU-SFTDATJTSA-N 0 0 488.654 2.940 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000260896343 570162322 /nfs/dbraw/zinc/16/23/22/570162322.db2.gz DJFVAFSKPVZJAP-HXUWFJFHSA-N 0 0 488.654 2.940 40 0 JFABRN CCc1ccc(N([C@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000260899683 570162643 /nfs/dbraw/zinc/16/26/43/570162643.db2.gz PJZMLPVOVRCHNR-LJQANCHMSA-N 0 0 459.612 2.552 40 0 JFABRN CC[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000260914957 570163749 /nfs/dbraw/zinc/16/37/49/570163749.db2.gz BZAAWWGKVHFTIP-OXQOHEQNSA-N 0 0 452.598 2.821 40 0 JFABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000260937230 570165313 /nfs/dbraw/zinc/16/53/13/570165313.db2.gz PRKGYOJJYBCMMG-UONOGXRCSA-N 0 0 489.015 2.784 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000260939146 570165430 /nfs/dbraw/zinc/16/54/30/570165430.db2.gz QKRNSLQWGXZAQB-FOIQADDNSA-N 0 0 468.597 2.521 40 0 JFABRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1O ZINC000409201742 570165544 /nfs/dbraw/zinc/16/55/44/570165544.db2.gz NUFCWVUUSRQKHC-VGOFMYFVSA-N 0 0 464.247 2.834 40 0 JFABRN Cc1ccc(C)c(N([C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000260949455 570166087 /nfs/dbraw/zinc/16/60/87/570166087.db2.gz XEVLSRDVKOYCBE-SJORKVTESA-N 0 0 452.598 2.739 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000260983973 570166481 /nfs/dbraw/zinc/16/64/81/570166481.db2.gz OQEDSJXVCSSEGF-MOPGFXCFSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000260983957 570166527 /nfs/dbraw/zinc/16/65/27/570166527.db2.gz OPRDNPUHMQHJDE-MSOLQXFVSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000261097113 570167240 /nfs/dbraw/zinc/16/72/40/570167240.db2.gz VGXQEEBKRICHHK-ROUUACIJSA-N 0 0 463.575 2.924 40 0 JFABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCC(N)=O ZINC000409207853 570167961 /nfs/dbraw/zinc/16/79/61/570167961.db2.gz BINUJFCVFTXOEP-ZDLGFXPLSA-N 0 0 473.482 2.764 40 0 JFABRN COC(=O)c1ccccc1NC(=O)CSc1nnc(CN2CCOCC2)n1-c1ccccc1 ZINC000409210226 570169286 /nfs/dbraw/zinc/16/92/86/570169286.db2.gz FOPDJJCBKDBAMS-UHFFFAOYSA-N 0 0 467.551 2.617 40 0 JFABRN Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(CN2CCOCC2)n1C ZINC000409210746 570169647 /nfs/dbraw/zinc/16/96/47/570169647.db2.gz KXZBRGCRQYFMIS-UHFFFAOYSA-N 0 0 454.394 2.757 40 0 JFABRN COC(=O)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1 ZINC000409215742 570172321 /nfs/dbraw/zinc/17/23/21/570172321.db2.gz DWARHMVTLRSPCQ-UHFFFAOYSA-N 0 0 467.551 2.617 40 0 JFABRN COc1ccc(Br)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O ZINC000409221244 570174421 /nfs/dbraw/zinc/17/44/21/570174421.db2.gz NFQJSXHCBQXTMK-XNTDXEJSSA-N 0 0 460.284 2.998 40 0 JFABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OCC(N)=O ZINC000409237742 570180534 /nfs/dbraw/zinc/18/05/34/570180534.db2.gz BQLPQBDJDCOFQX-GIJQJNRQSA-N 0 0 473.482 2.764 40 0 JFABRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(O)c(I)c2)C1=O ZINC000409238741 570180921 /nfs/dbraw/zinc/18/09/21/570180921.db2.gz LTDLKZQORKRUHU-NTEUORMPSA-N 0 0 493.257 2.537 40 0 JFABRN CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000409241074 570181875 /nfs/dbraw/zinc/18/18/75/570181875.db2.gz NDMHRSNVKBOURG-QGZVFWFLSA-N 0 0 464.584 2.908 40 0 JFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C(N)=O)cc2)cc1C ZINC000408526351 570185953 /nfs/dbraw/zinc/18/59/53/570185953.db2.gz AXZOFOFKOFJJLN-UHFFFAOYSA-N 0 0 481.574 2.975 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NCCCOC(C)C)cc2)cc1OC ZINC000409251887 570186066 /nfs/dbraw/zinc/18/60/66/570186066.db2.gz QVTYNALCAADBQS-UHFFFAOYSA-N 0 0 494.610 2.535 40 0 JFABRN CCOC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000408544238 570192335 /nfs/dbraw/zinc/19/23/35/570192335.db2.gz BOHYFEQGLSVDIK-UHFFFAOYSA-N 0 0 490.578 2.944 40 0 JFABRN COC(=O)CN1C(=O)N/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000408548327 570194073 /nfs/dbraw/zinc/19/40/73/570194073.db2.gz GJCDBVBICNQAIQ-VCHYOVAHSA-N 0 0 466.881 2.999 40 0 JFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccccn2)cc1C ZINC000408554075 570196108 /nfs/dbraw/zinc/19/61/08/570196108.db2.gz YUSUSTISGOBBNW-UHFFFAOYSA-N 0 0 453.564 2.948 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000408559278 570199668 /nfs/dbraw/zinc/19/96/68/570199668.db2.gz WJEBTAWELFKCML-UHFFFAOYSA-N 0 0 451.976 2.756 40 0 JFABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000408559513 570199823 /nfs/dbraw/zinc/19/98/23/570199823.db2.gz XNCUSBJMYJYULQ-UHFFFAOYSA-N 0 0 465.959 2.877 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)c1 ZINC000408562041 570201474 /nfs/dbraw/zinc/20/14/74/570201474.db2.gz XEPBWBIPBLTISF-OAHLLOKOSA-N 0 0 462.524 2.514 40 0 JFABRN NC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000408562121 570201528 /nfs/dbraw/zinc/20/15/28/570201528.db2.gz XXURRQICOKHQIG-UHFFFAOYSA-N 0 0 486.377 2.897 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c1 ZINC000409327251 570202481 /nfs/dbraw/zinc/20/24/81/570202481.db2.gz IQTSLCPTYDMESV-UHFFFAOYSA-N 0 0 453.524 2.653 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 ZINC000408586339 570208138 /nfs/dbraw/zinc/20/81/38/570208138.db2.gz BFSBYYLYBBHLST-UHFFFAOYSA-N 0 0 457.596 2.897 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C ZINC000408587068 570208242 /nfs/dbraw/zinc/20/82/42/570208242.db2.gz BEJMXTGCSABKOM-QGZVFWFLSA-N 0 0 466.003 2.981 40 0 JFABRN CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000408586977 570208252 /nfs/dbraw/zinc/20/82/52/570208252.db2.gz APXLHDKVXHUCNU-JXMROGBWSA-N 0 0 471.623 3.000 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)c(Cl)c2)cc1 ZINC000408586992 570208277 /nfs/dbraw/zinc/20/82/77/570208277.db2.gz ATACPLJSKIEISV-UHFFFAOYSA-N 0 0 465.959 2.552 40 0 JFABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc(C(=O)OC)c1 ZINC000408587318 570208311 /nfs/dbraw/zinc/20/83/11/570208311.db2.gz BLABVSDMJYYBIW-OAHLLOKOSA-N 0 0 492.550 2.600 40 0 JFABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000408588507 570208548 /nfs/dbraw/zinc/20/85/48/570208548.db2.gz CZVZZBFMFYQERB-UHFFFAOYSA-N 0 0 480.539 2.586 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000408590016 570208923 /nfs/dbraw/zinc/20/89/23/570208923.db2.gz IPWSCIBUSCJBNC-OAHLLOKOSA-N 0 0 466.943 2.794 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C ZINC000408592820 570209528 /nfs/dbraw/zinc/20/95/28/570209528.db2.gz LYYDYTJBGDVOHU-OSICKASQSA-N 0 0 457.596 2.528 40 0 JFABRN CO[C@]12C[C@@H]3[C@H]([C@H](C)C1=CC(=O)O2)[C@H](O)[C@H](OC(C)=O)[C@@H]1C(C)(C)[C@H](OC(C)=O)CC[C@]31C ZINC000253389907 291485843 /nfs/dbraw/zinc/48/58/43/291485843.db2.gz MIFAMIONJNEQDA-MTLIHCKTSA-N 0 0 464.555 2.765 40 0 biogenic,in-vitro JFABRN COc1c2c(c(C)c3c1C[C@H]1[C@@](C)(C[C@H](O)[C@@]4(O)[C@]1(C)CCC(=O)OC4(C)C)O3)COC2=O ZINC000247987528 291486262 /nfs/dbraw/zinc/48/62/62/291486262.db2.gz ZVTVYIVILDSYIK-VZNJNNDWSA-N 0 0 460.523 2.601 40 0 biogenic,in-vitro JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000670500 193887564 /nfs/dbraw/zinc/88/75/64/193887564.db2.gz MCOOKEDXHWJNJZ-CNSVBDKNSA-N 0 0 452.507 2.946 40 0 JFABRN COC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@H]2CCCO2)c1 ZINC000000913996 193963666 /nfs/dbraw/zinc/96/36/66/193963666.db2.gz IYYQARNMHVWDEJ-HXUWFJFHSA-N 0 0 470.547 2.993 40 0 JFABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000000918361 193968773 /nfs/dbraw/zinc/96/87/73/193968773.db2.gz DZPLWGZSWZZUHB-FQEVSTJZSA-N 0 0 486.546 2.693 40 0 JFABRN Cn1c2nc(SCC(=O)N3CCCCC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000000930522 193982329 /nfs/dbraw/zinc/98/23/29/193982329.db2.gz IUOWNBKSFNLNEV-UHFFFAOYSA-N 0 0 477.590 2.740 40 0 JFABRN O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCN(c2ccccc2F)CC1 ZINC000001330943 194089323 /nfs/dbraw/zinc/08/93/23/194089323.db2.gz XRIFQLHVMBDOAA-UHFFFAOYSA-N 0 0 466.904 2.724 40 0 JFABRN COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)CC2)cc1 ZINC000001324839 194085812 /nfs/dbraw/zinc/08/58/12/194085812.db2.gz FIQZVOSCBGVMDZ-UHFFFAOYSA-N 0 0 462.485 2.730 40 0 JFABRN CC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000001325569 194086514 /nfs/dbraw/zinc/08/65/14/194086514.db2.gz MNCAIVXPEWBRNL-INIZCTEOSA-N 0 0 494.664 2.884 40 0 JFABRN O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000001325540 194086542 /nfs/dbraw/zinc/08/65/42/194086542.db2.gz VDBKAEQLIVGPNQ-UHFFFAOYSA-N 0 0 463.625 2.809 40 0 JFABRN COc1cccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)C2)c1 ZINC000001334638 194093411 /nfs/dbraw/zinc/09/34/11/194093411.db2.gz BCALAEGVJUCKRD-KRWDZBQOSA-N 0 0 462.485 2.730 40 0 JFABRN CC(=O)c1cccc(S(=O)(=O)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C[C@H]2COCCO2)c1 ZINC000001335314 194093910 /nfs/dbraw/zinc/09/39/10/194093910.db2.gz DZQXVCDHEDJANB-NRFANRHFSA-N 0 0 484.574 2.954 40 0 JFABRN Cc1cc2cc(CN(C[C@H]3COCCO3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2cc1C ZINC000001335257 194093922 /nfs/dbraw/zinc/09/39/22/194093922.db2.gz BZTHWVPKXDQAMV-IBGZPJMESA-N 0 0 460.527 2.890 40 0 JFABRN COc1ccc(S(=O)(=O)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C[C@H]2COCCO2)cc1 ZINC000001335294 194094034 /nfs/dbraw/zinc/09/40/34/194094034.db2.gz HWPZEHGJFXNBFU-FQEVSTJZSA-N 0 0 472.563 2.760 40 0 JFABRN CCOc1cc(-n2cnnn2)c(OCC)cc1NC(=O)c1cc2cccc(OC)c2oc1=O ZINC000001342112 194098607 /nfs/dbraw/zinc/09/86/07/194098607.db2.gz NGFKFWYYNLOUSV-UHFFFAOYSA-N 0 0 451.439 2.827 40 0 JFABRN COc1cccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)C2)c1 ZINC000001334361 194092840 /nfs/dbraw/zinc/09/28/40/194092840.db2.gz DIIKBIPSCAFTFM-IBGZPJMESA-N 0 0 458.522 2.900 40 0 JFABRN COc1ccc2cc(CN(Cc3nnnn3Cc3ccco3)Cc3cccnc3)c(=O)[nH]c2c1 ZINC000001373027 194106846 /nfs/dbraw/zinc/10/68/46/194106846.db2.gz WBDAGPYGXBLSFP-UHFFFAOYSA-N 0 0 457.494 2.762 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)Cc3cccnc3)cc2c1 ZINC000001373029 194106939 /nfs/dbraw/zinc/10/69/39/194106939.db2.gz AEEDJJLLLJIWKH-UHFFFAOYSA-N 0 0 457.494 2.762 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1Cc1ccccc1)C[C@@H]1CCCO1)OCCO3 ZINC000001373849 194108020 /nfs/dbraw/zinc/10/80/20/194108020.db2.gz MERVIWHHDBLVSS-NRFANRHFSA-N 0 0 488.548 2.515 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1Cc1ccco1)Cc1cccnc1)OCCO3 ZINC000001373954 194108023 /nfs/dbraw/zinc/10/80/23/194108023.db2.gz UYQNUMNUSMQHHO-UHFFFAOYSA-N 0 0 485.504 2.525 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374473 194109091 /nfs/dbraw/zinc/10/90/91/194109091.db2.gz SFJPZEIVOSICQS-NRFANRHFSA-N 0 0 480.525 2.833 40 0 JFABRN COc1cccc(C(=O)N2CCC(c3nc4c(nnn4Cc4cccc(F)c4)c(=O)[nH]3)CC2)c1 ZINC000001355247 194100905 /nfs/dbraw/zinc/10/09/05/194100905.db2.gz NJQWXJRXTKDFFP-UHFFFAOYSA-N 0 0 462.485 2.730 40 0 JFABRN CCN(CC)CC(=O)O[C@@]1(CC)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000003785240 194361524 /nfs/dbraw/zinc/36/15/24/194361524.db2.gz XYFGJQHJTZRIDW-SANMLTNESA-N 0 0 461.518 2.972 40 0 JFABRN COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@@H](NC(=O)Nc4cccc(SC)c4)CCN3C2=O)cc1 ZINC000003841143 194363205 /nfs/dbraw/zinc/36/32/05/194363205.db2.gz OSGVSOSWIFUWRE-YYWHXJBOSA-N 0 0 468.579 2.639 40 0 biogenic,in-vitro JFABRN CN(C)c1cccc2c1cccc2S(=O)(=O)N1CC[C@H]2NC(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000003842172 194363898 /nfs/dbraw/zinc/36/38/98/194363898.db2.gz NMTJMQQPOBMJMY-OFNKIYASSA-N 0 0 478.574 2.789 40 0 biogenic,in-vitro JFABRN CCOC(=O)c1cccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccccc4)CO[C@H]23)c1 ZINC000004222813 194385043 /nfs/dbraw/zinc/38/50/43/194385043.db2.gz SWAHFOSYYLBZKY-MTQWCTHYSA-N 0 0 455.467 2.768 40 0 biogenic,in-vitro JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccccc3)n2)cc1OC ZINC000004355123 194388286 /nfs/dbraw/zinc/38/82/86/194388286.db2.gz HBWYKNNQDDNRRK-UHFFFAOYSA-N 0 0 466.542 2.553 40 0 JFABRN COCCn1c(SCC(=O)N2CCN(c3ccccc3OC)CC2)nnc1-c1ccco1 ZINC000006136233 194413827 /nfs/dbraw/zinc/41/38/27/194413827.db2.gz AFGRJEBSDDBZQL-UHFFFAOYSA-N 0 0 457.556 2.634 40 0 JFABRN Cc1ccc2cc(CN(CCCO)S(=O)(=O)c3c4nsnc4ccc3C)c(=O)[nH]c2c1 ZINC000006409541 194425569 /nfs/dbraw/zinc/42/55/69/194425569.db2.gz FNLFYOYUUUPEIX-UHFFFAOYSA-N 0 0 458.565 2.723 40 0 JFABRN CCOc1ccc(N(CC(=O)NCc2ccccc2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 ZINC000006600930 194432920 /nfs/dbraw/zinc/43/29/20/194432920.db2.gz MBOKLKCPVLDMNK-UHFFFAOYSA-N 0 0 474.521 2.990 40 0 JFABRN NC(=O)c1nsc(C(=O)N(CCc2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000006551118 194431065 /nfs/dbraw/zinc/43/10/65/194431065.db2.gz LPFYFMAKPMJHLZ-HXUWFJFHSA-N 0 0 481.578 2.902 40 0 JFABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N ZINC000006820994 194434803 /nfs/dbraw/zinc/43/48/03/194434803.db2.gz QKILFRZBFRCKBF-OAHLLOKOSA-N 0 0 463.991 2.957 40 0 JFABRN COc1ccc(N2C(=S)N(Cc3cn(C)c4ccccc34)[C@@H]3[C@H]2[C@H]2C[C@@H](O)[C@@H]3OC2=O)cc1 ZINC000008253828 194437431 /nfs/dbraw/zinc/43/74/31/194437431.db2.gz ZTVSANLDBSBHOM-KNQBKSORSA-N 0 0 463.559 2.837 40 0 biogenic,in-vitro JFABRN COc1ccccc1NC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(-c2ccccc2)c1=O ZINC000009287125 194662269 /nfs/dbraw/zinc/66/22/69/194662269.db2.gz XUWCUHCHXGCJBU-UHFFFAOYSA-N 0 0 461.474 2.817 40 0 JFABRN O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012637313 195068515 /nfs/dbraw/zinc/06/85/15/195068515.db2.gz CLPQFXHOWKHTBA-UHFFFAOYSA-N 0 0 460.596 2.944 40 0 JFABRN O=C(NC1CCCC1)C(=O)N(Cc1ccco1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012640853 195070431 /nfs/dbraw/zinc/07/04/31/195070431.db2.gz MMBKEGRJHZHNBI-IRLDBZIGSA-N 0 0 471.529 2.843 40 0 JFABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)C(=O)NC2CCCCC2)C(C)C)cc1 ZINC000012641467 195071197 /nfs/dbraw/zinc/07/11/97/195071197.db2.gz LNTAYERLMQLRJC-YADHBBJMSA-N 0 0 459.587 2.717 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(Cc2cccs2)C(=O)[C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)[C@H]3C=C[C@@]12O3 ZINC000012642887 195072123 /nfs/dbraw/zinc/07/21/23/195072123.db2.gz CLJFBGWDFWTDFS-DMOSHBFOSA-N 0 0 497.592 2.769 40 0 JFABRN COc1ccc(CC(=O)NC2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1OC ZINC000012644708 195073400 /nfs/dbraw/zinc/07/34/00/195073400.db2.gz XUWJPUJDSNHEDS-UHFFFAOYSA-N 0 0 451.567 2.954 40 0 JFABRN COc1cccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000012701600 195091588 /nfs/dbraw/zinc/09/15/88/195091588.db2.gz UDRNZZDQYMCKRD-INIZCTEOSA-N 0 0 466.517 2.968 40 0 JFABRN C[C@@H](C(=O)NCc1ccccc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(Cl)cc1 ZINC000012705730 195092798 /nfs/dbraw/zinc/09/27/98/195092798.db2.gz XKXHELIEDIBFHX-LBPRGKRZSA-N 0 0 457.943 2.829 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012709002 195093901 /nfs/dbraw/zinc/09/39/01/195093901.db2.gz ZRKJHYBGMXBVFV-YHOYWCJOSA-N 0 0 479.549 2.988 40 0 JFABRN CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@H]3[C@@H]2OC(=O)CCCNC(=O)OCc2ccccc2)O1 ZINC000012655277 195077963 /nfs/dbraw/zinc/07/79/63/195077963.db2.gz WRZCTNADBXUVGP-KTIPNOMGSA-N 0 0 479.526 2.633 40 0 JFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000012711209 195095252 /nfs/dbraw/zinc/09/52/52/195095252.db2.gz AENZJKNOHRVWQO-KUHUBIRLSA-N 0 0 499.618 2.877 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1 ZINC000012716302 195097184 /nfs/dbraw/zinc/09/71/84/195097184.db2.gz NSLWGBOVONDCQP-UTKZUKDTSA-N 0 0 484.557 2.807 40 0 JFABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012727546 195097996 /nfs/dbraw/zinc/09/79/96/195097996.db2.gz NYXUXNSFFGVNMQ-WMQCIHAUSA-N 0 0 467.584 2.868 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4cccnc4)s3)CC2)cc1 ZINC000012880978 195168474 /nfs/dbraw/zinc/16/84/74/195168474.db2.gz LZGMKZBURZYKRN-UHFFFAOYSA-N 0 0 459.553 2.648 40 0 JFABRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1ccco1 ZINC000020637023 195191667 /nfs/dbraw/zinc/19/16/67/195191667.db2.gz BZFXDBZSDIYUIR-ROUUACIJSA-N 0 0 464.444 2.827 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc(CC)ccc3[nH]c2=O)CC1 ZINC000057589564 195351537 /nfs/dbraw/zinc/35/15/37/195351537.db2.gz ZOKDSRGHKXUCPK-OFNKIYASSA-N 0 0 494.596 2.621 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCC(O)CC3)cc2c1 ZINC000057594825 195352166 /nfs/dbraw/zinc/35/21/66/195352166.db2.gz SMJJUDZGFDZAHF-QFIPXVFZSA-N 0 0 452.559 2.965 40 0 JFABRN COc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c2c1 ZINC000057607804 195353073 /nfs/dbraw/zinc/35/30/73/195353073.db2.gz ZFZQKXMBRAMFFK-LJQANCHMSA-N 0 0 466.567 2.966 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000057607983 195353159 /nfs/dbraw/zinc/35/31/59/195353159.db2.gz DHVQORLMGAADNF-NRFANRHFSA-N 0 0 464.526 2.888 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000057608136 195353377 /nfs/dbraw/zinc/35/33/77/195353377.db2.gz XTHSKNDRARHFBI-REWPJTCUSA-N 0 0 478.553 2.833 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000057643141 195356688 /nfs/dbraw/zinc/35/66/88/195356688.db2.gz FOHQDOCEPOIJMF-UHFFFAOYSA-N 0 0 462.554 2.541 40 0 JFABRN COc1ccccc1N1CCN([C@H](c2nnnn2CS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1 ZINC000057671761 195357177 /nfs/dbraw/zinc/35/71/77/195357177.db2.gz UPTPDFQLZKEKLV-QHCPKHFHSA-N 0 0 484.626 2.941 40 0 JFABRN O=C(CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000057721436 195358511 /nfs/dbraw/zinc/35/85/11/195358511.db2.gz QUYPRPBAOPTUPJ-UHFFFAOYSA-N 0 0 459.550 2.946 40 0 JFABRN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)[C@H]1C[C@@H](c2ccco2)NS(=O)(=O)N1C ZINC000057730400 195358605 /nfs/dbraw/zinc/35/86/05/195358605.db2.gz XELMHQAQYPIAKW-RBUKOAKNSA-N 0 0 457.556 2.668 40 0 JFABRN CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000057730032 195358644 /nfs/dbraw/zinc/35/86/44/195358644.db2.gz OVVUVIVACXMPJE-UHFFFAOYSA-N 0 0 459.959 2.619 40 0 JFABRN CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cc1nn(CC)c(=O)c2ccccc12 ZINC000057730793 195358995 /nfs/dbraw/zinc/35/89/95/195358995.db2.gz BENFZGQBLWQVNT-MRXNPFEDSA-N 0 0 463.563 2.839 40 0 JFABRN CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000057730926 195359191 /nfs/dbraw/zinc/35/91/91/195359191.db2.gz XGCWDGNNVDGJDJ-QVKFZJNVSA-N 0 0 452.461 2.958 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc(N3CCCCC3)nc2)C[C@@]12Cc1ccccc1C(=O)N2 ZINC000057774243 195359964 /nfs/dbraw/zinc/35/99/64/195359964.db2.gz OOVDLEHPJLUAJN-CUNXSJBXSA-N 0 0 476.625 2.538 40 0 JFABRN COc1ccc(N(CCCC(=O)NCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000224856864 195468465 /nfs/dbraw/zinc/46/84/65/195468465.db2.gz ATHHUDNOEFTPCJ-UHFFFAOYSA-N 0 0 450.557 2.618 40 0 JFABRN CC(=O)[C@@H]1C[C@@H](CC(=O)N[C@H](O)C(Br)(Br)Br)C1(C)C ZINC000035181692 518207027 /nfs/dbraw/zinc/20/70/27/518207027.db2.gz ACVOQMCJYKGONO-OYNCUSHFSA-N 0 0 463.992 2.901 40 0 JFABRN CC(C)Cn1c2nnc(SCC(=O)NC(C)(C)C)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033256697 519491617 /nfs/dbraw/zinc/49/16/17/519491617.db2.gz ZRGWYLXQZWLDSW-UHFFFAOYSA-N 0 0 472.615 2.845 40 0 JFABRN CC(C)Cn1c2nnc(SCC(=O)NC(C)C)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000033256700 519491665 /nfs/dbraw/zinc/49/16/65/519491665.db2.gz CCWOZBBSAJANPM-UHFFFAOYSA-N 0 0 484.626 2.989 40 0 JFABRN CC(C)OC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H]1[C@@H]3Sc2[nH]c(=O)sc2[C@H]1c1cccs1 ZINC000035053083 519747599 /nfs/dbraw/zinc/74/75/99/519747599.db2.gz HBLVDLZQMWYJPL-PQVIFUOASA-N 0 0 490.628 2.923 40 0 JFABRN CC(C)[C@H](C(=O)NCc1ccco1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013503113 519809781 /nfs/dbraw/zinc/80/97/81/519809781.db2.gz BNFKVVCJYJNBGQ-JOCHJYFZSA-N 0 0 491.541 2.660 40 0 JFABRN CCOCCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000006195301 519896205 /nfs/dbraw/zinc/89/62/05/519896205.db2.gz ORZIUONTVMBKCB-GOSISDBHSA-N 0 0 461.584 2.581 40 0 JFABRN CCOC(=O)C1=C(CN(C)Cc2c(C)nn(CC)c2C)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000022820719 520509449 /nfs/dbraw/zinc/50/94/49/520509449.db2.gz CQTGBHVRIDTUPF-XMMPIXPASA-N 0 0 499.612 2.978 40 0 JFABRN CCC[C@@H](C(=O)NCc1ccc(OC)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000004399954 520590687 /nfs/dbraw/zinc/59/06/87/520590687.db2.gz BEBXDEUGDCSONT-KRWDZBQOSA-N 0 0 485.566 2.553 40 0 JFABRN CC1(C)O[C@@]2(C[C@H]1[C@]1(C)C=CC(=O)O1)C[C@]1(O)[C@H](CC[C@]34C[C@@]31C(=O)O[C@@H]4c1ccoc1)O2 ZINC000005493367 520611891 /nfs/dbraw/zinc/61/18/91/520611891.db2.gz CJJZZJATCPPMMW-UYCVTYTOSA-N 0 0 456.491 2.951 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(OCC)cc1 ZINC000013507166 520722188 /nfs/dbraw/zinc/72/21/88/520722188.db2.gz OXJLJIKWCSAKPM-XMMPIXPASA-N 0 0 499.564 2.600 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000014830340 520800106 /nfs/dbraw/zinc/80/01/06/520800106.db2.gz HZEPHBQKJUDJGY-UHFFFAOYSA-N 0 0 497.614 2.896 40 0 JFABRN CCOc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1OCC ZINC000004092891 520824743 /nfs/dbraw/zinc/82/47/43/520824743.db2.gz FNFOAEHIEMEWAY-UHFFFAOYSA-N 0 0 454.506 2.625 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495445 520920616 /nfs/dbraw/zinc/92/06/16/520920616.db2.gz NTLSGMDWYIJVTL-PMACEKPBSA-N 0 0 468.558 2.518 40 0 JFABRN CCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000012498354 520947739 /nfs/dbraw/zinc/94/77/39/520947739.db2.gz QDNNJANLDZUYRT-IMIIHFCZSA-N 0 0 496.516 2.595 40 0 JFABRN CCC[C@H](C(=O)NC(C)(C)C)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503190 520977352 /nfs/dbraw/zinc/97/73/52/520977352.db2.gz UVGGJBUAGSHHLR-PKOBYXMFSA-N 0 0 488.050 2.709 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000019818545 521091144 /nfs/dbraw/zinc/09/11/44/521091144.db2.gz UEMKWYLOCJIRMM-SFTDATJTSA-N 0 0 483.521 2.911 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1C ZINC000020015145 521185337 /nfs/dbraw/zinc/18/53/37/521185337.db2.gz LATWWVUCSCHSGJ-MRXNPFEDSA-N 0 0 450.557 2.909 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)cc1Cl ZINC000020016247 521203709 /nfs/dbraw/zinc/20/37/09/521203709.db2.gz MQXUZIWMNZPQBT-ZDUSSCGKSA-N 0 0 456.948 2.739 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC(C)CC3)cc2c1 ZINC000006196824 521283651 /nfs/dbraw/zinc/28/36/51/521283651.db2.gz KSBIMSZACOWICP-UGKGYDQZSA-N 0 0 452.559 2.914 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCC[C@H](C)C3)cc2c1 ZINC000006196847 521284313 /nfs/dbraw/zinc/28/43/13/521284313.db2.gz MZGCCTQYOFRAMY-NBCNXNJRSA-N 0 0 452.559 2.914 40 0 JFABRN CCOC(=O)c1c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)sc2c1CCCC2 ZINC000038857856 521410900 /nfs/dbraw/zinc/41/09/00/521410900.db2.gz YAOXJOUYKVMJJK-MRXNPFEDSA-N 0 0 464.565 2.969 40 0 JFABRN CCN(c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937927 521492678 /nfs/dbraw/zinc/49/26/78/521492678.db2.gz AWPZRQWZLUWDAS-UHFFFAOYSA-N 0 0 489.575 2.567 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1Cl ZINC000022525246 521494794 /nfs/dbraw/zinc/49/47/94/521494794.db2.gz JOLBAIZHWOHLDM-UHFFFAOYSA-N 0 0 470.931 2.939 40 0 JFABRN CCOC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000006195149 521524854 /nfs/dbraw/zinc/52/48/54/521524854.db2.gz ASYBZAITFDQGOY-UHFFFAOYSA-N 0 0 472.563 2.895 40 0 JFABRN CCOC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000006195153 521525555 /nfs/dbraw/zinc/52/55/55/521525555.db2.gz UPOMXNUJZPPLPO-UHFFFAOYSA-N 0 0 472.563 2.895 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1C ZINC000044911747 521543315 /nfs/dbraw/zinc/54/33/15/521543315.db2.gz MRYYJXHRLPJFQF-GOSISDBHSA-N 0 0 452.916 2.991 40 0 JFABRN CCCn1c(=O)c2cc3c(cc2nc1N1CCN(C(=O)c2ccc(OC)cc2)CC1)OCCO3 ZINC000028555976 521616685 /nfs/dbraw/zinc/61/66/85/521616685.db2.gz TXIKNHWUWYTMJI-UHFFFAOYSA-N 0 0 464.522 2.549 40 0 JFABRN CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)c1ccc2c(c1)OCCO2 ZINC000022526568 521659513 /nfs/dbraw/zinc/65/95/13/521659513.db2.gz DGOPOCAFULSAOM-HNNXBMFYSA-N 0 0 464.540 2.509 40 0 JFABRN CCS(=O)(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[nH]2)C1 ZINC000006161891 521664200 /nfs/dbraw/zinc/66/42/00/521664200.db2.gz FWRBFYMTZZFDPG-INIZCTEOSA-N 0 0 458.588 2.802 40 0 JFABRN CCS(=O)(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)CC1 ZINC000020143537 521666113 /nfs/dbraw/zinc/66/61/13/521666113.db2.gz OEQPJLPXTRKYGJ-CQSZACIVSA-N 0 0 452.646 2.603 40 0 JFABRN CO[C@]1(c2ccc(C)c(Cc3ccc(-c4ccc(F)cc4)s3)c2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000071973762 521773879 /nfs/dbraw/zinc/77/38/79/521773879.db2.gz UKGXVMIGVXOCSH-PRDVQWLOSA-N 0 0 474.550 2.726 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503215 521828298 /nfs/dbraw/zinc/82/82/98/521828298.db2.gz OFCSTYJATXIDOA-SFHVURJKSA-N 0 0 469.991 2.933 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020082163 522154387 /nfs/dbraw/zinc/15/43/87/522154387.db2.gz DEYBQHPWEHUWDX-HSZRJFAPSA-N 0 0 477.544 2.520 40 0 JFABRN CC[C@@H](C)NC(=O)CCn1c2nnc(SCC(=O)NC3CCCCC3)n2c2ccccc2c1=O ZINC000033292049 522155230 /nfs/dbraw/zinc/15/52/30/522155230.db2.gz PQRLKQQSPQJPKV-MRXNPFEDSA-N 0 0 484.626 2.890 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000020083116 522157045 /nfs/dbraw/zinc/15/70/45/522157045.db2.gz PYWIICDWHCHPFB-VWLOTQADSA-N 0 0 487.608 2.685 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3cccc(OC)c3)nnc1n(C)c2=O ZINC000033256764 522220263 /nfs/dbraw/zinc/22/02/63/522220263.db2.gz HLHOSRMYMLQTFW-CQSZACIVSA-N 0 0 494.577 2.849 40 0 JFABRN COC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000004388733 522247198 /nfs/dbraw/zinc/24/71/98/522247198.db2.gz FHQOLGFWFMLSSG-UHFFFAOYSA-N 0 0 475.611 2.894 40 0 JFABRN COc1cc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)ccc1OC(C)C ZINC000020488752 522432835 /nfs/dbraw/zinc/43/28/35/522432835.db2.gz WSHZBUAEIMIRJQ-HXUWFJFHSA-N 0 0 468.959 2.979 40 0 JFABRN COCC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000012481580 522750787 /nfs/dbraw/zinc/75/07/87/522750787.db2.gz LXABZWUMIIOSCX-ROUUACIJSA-N 0 0 471.520 2.803 40 0 biogenic,in-vitro JFABRN COC(=O)C1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000013670627 522908310 /nfs/dbraw/zinc/90/83/10/522908310.db2.gz UWVIFMISLMUIRK-UHFFFAOYSA-N 0 0 490.578 2.619 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3cccs3)n2)cc1OC ZINC000004374668 523269438 /nfs/dbraw/zinc/26/94/38/523269438.db2.gz YWIIKNXRBCHUDW-UHFFFAOYSA-N 0 0 486.598 2.610 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C)C(=O)NCCC(C)C)n2)cc1OC ZINC000006134367 523269978 /nfs/dbraw/zinc/26/99/78/523269978.db2.gz DRVNEBBPPZEJDL-SFHVURJKSA-N 0 0 480.569 2.941 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000012480631 523270411 /nfs/dbraw/zinc/27/04/11/523270411.db2.gz FAECXUOVMLQRNJ-UHFFFAOYSA-N 0 0 482.516 2.588 40 0 JFABRN COCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000013507908 523535491 /nfs/dbraw/zinc/53/54/91/523535491.db2.gz ITOHHZYARBLZPR-QHCPKHFHSA-N 0 0 455.555 2.983 40 0 JFABRN COC(=O)[C@@]1(CCSC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000012498046 523837974 /nfs/dbraw/zinc/83/79/74/523837974.db2.gz CXLBCXITWVXHHO-YWNPBTLJSA-N 0 0 488.587 2.634 40 0 JFABRN COCCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1cccc(C(F)(F)F)c1 ZINC000013501896 523891295 /nfs/dbraw/zinc/89/12/95/523891295.db2.gz BSPFPGHNKFRMRZ-UHFFFAOYSA-N 0 0 458.462 2.676 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 ZINC000013508357 523910461 /nfs/dbraw/zinc/91/04/61/523910461.db2.gz CHPCUGMHPONVSN-XMMPIXPASA-N 0 0 477.521 2.878 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C ZINC000012467254 523910630 /nfs/dbraw/zinc/91/06/30/523910630.db2.gz AMRIYUAGZMSSMB-HXUWFJFHSA-N 0 0 499.568 2.731 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1 ZINC000013508271 523911134 /nfs/dbraw/zinc/91/11/34/523911134.db2.gz ZVAANNUQMIVRNX-HSZRJFAPSA-N 0 0 462.485 2.503 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1 ZINC000012467289 523918460 /nfs/dbraw/zinc/91/84/60/523918460.db2.gz CUJRRFRCNOPFCJ-FQEVSTJZSA-N 0 0 499.568 2.731 40 0 JFABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3ccc(F)cc3)nnc1n(C)c2=O ZINC000033256783 524000024 /nfs/dbraw/zinc/00/00/24/524000024.db2.gz AFESJMUTPQCTQV-ZDUSSCGKSA-N 0 0 482.541 2.979 40 0 JFABRN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CC2)c1 ZINC000004093111 524127556 /nfs/dbraw/zinc/12/75/56/524127556.db2.gz XGZCETJJNRDHMZ-UHFFFAOYSA-N 0 0 463.625 2.599 40 0 JFABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@H](C)C3)[nH]c(=O)c21 ZINC000040388689 524240790 /nfs/dbraw/zinc/24/07/90/524240790.db2.gz UYOVUKWBGPHMJY-SCRDCRAPSA-N 0 0 459.934 2.979 40 0 JFABRN COc1cccc2c1cc1c(=O)n(CC(=O)N3CCN(c4cccc(C)c4C)CC3)nc(C)n12 ZINC000008605215 524252647 /nfs/dbraw/zinc/25/26/47/524252647.db2.gz ZGTOAPWBUFWVIK-UHFFFAOYSA-N 0 0 459.550 2.932 40 0 JFABRN COc1ccccc1-c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)c2ccc(N(C)C)cc2)n1 ZINC000005398752 524275537 /nfs/dbraw/zinc/27/55/37/524275537.db2.gz FLZYSNASAYKGES-NEUULRRLSA-N 0 0 475.549 2.595 40 0 biogenic,in-vitro JFABRN COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000006973651 524358963 /nfs/dbraw/zinc/35/89/63/524358963.db2.gz REWRVISNYLPWFJ-UHFFFAOYSA-N 0 0 452.490 2.580 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1Cl ZINC000020455095 524372472 /nfs/dbraw/zinc/37/24/72/524372472.db2.gz VXVRBNSUASCFFL-CYBMUJFWSA-N 0 0 456.948 2.837 40 0 JFABRN COc1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(C)=O)c4)CO[C@H]23)cc1 ZINC000004222855 524577026 /nfs/dbraw/zinc/57/70/26/524577026.db2.gz NQUZCUCDNOBCFN-DOIPELPJSA-N 0 0 455.467 2.803 40 0 biogenic,in-vitro JFABRN Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(S(=O)(=O)c4ccc(C)cc4)C2)[nH]c3=O)cc1 ZINC000006161879 524776544 /nfs/dbraw/zinc/77/65/44/524776544.db2.gz RFEDVAYBTPSKTE-LJQANCHMSA-N 0 0 478.578 2.748 40 0 JFABRN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000006237725 524847091 /nfs/dbraw/zinc/84/70/91/524847091.db2.gz ICWKBPHBQKOSHA-FQEVSTJZSA-N 0 0 457.483 2.996 40 0 JFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NCc2ccccc2)cc1C ZINC000012472679 524877331 /nfs/dbraw/zinc/87/73/31/524877331.db2.gz ISNDUDPDXNIAJZ-HNNXBMFYSA-N 0 0 451.552 2.793 40 0 JFABRN C[C@H]1OC[C@H]2O[C@@H](C)O[C@@H](C(C3C(=O)CC(C)(C)CC3=O)C3C(=O)CC(C)(C)CC3=O)[C@@H]2O1 ZINC000005479598 525057566 /nfs/dbraw/zinc/05/75/66/525057566.db2.gz VYFXIITZEXVDOU-BPYSTMSYSA-N 0 0 464.555 2.643 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1OC ZINC000020005192 525074828 /nfs/dbraw/zinc/07/48/28/525074828.db2.gz FMPIGJVWFIUONS-JOCHJYFZSA-N 0 0 468.575 2.952 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1OC ZINC000020005145 525075303 /nfs/dbraw/zinc/07/53/03/525075303.db2.gz FUDFRVJGIBGAGN-OAQYLSRUSA-N 0 0 454.548 2.910 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1Cl ZINC000020006036 525075504 /nfs/dbraw/zinc/07/55/04/525075504.db2.gz LGYJFELARCOOBE-QFBILLFUSA-N 0 0 452.960 2.533 40 0 JFABRN Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC(C)(C)C)c2ccccc2C)cc1 ZINC000012472712 525093468 /nfs/dbraw/zinc/09/34/68/525093468.db2.gz KXDFYLUXWCYVLU-JGCGQSQUSA-N 0 0 457.596 2.939 40 0 JFABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)cc1 ZINC000006074990 525115131 /nfs/dbraw/zinc/11/51/31/525115131.db2.gz KNMDQXKDQROHHI-SFHVURJKSA-N 0 0 473.599 2.874 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1OC ZINC000020019443 525135169 /nfs/dbraw/zinc/13/51/69/525135169.db2.gz LLGJCUURUUBYNO-MRXNPFEDSA-N 0 0 450.557 2.894 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC ZINC000044900515 525139569 /nfs/dbraw/zinc/13/95/69/525139569.db2.gz OBXSYFIEVSKNMX-HUUCEWRRSA-N 0 0 464.540 2.507 40 0 JFABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCCC2)Oc2ccc(Cl)cc21 ZINC000044786680 525186835 /nfs/dbraw/zinc/18/68/35/525186835.db2.gz CSBBZBUTEUPMMF-LJQANCHMSA-N 0 0 463.943 2.742 40 0 JFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000012472619 525214150 /nfs/dbraw/zinc/21/41/50/525214150.db2.gz DLTLYDUIYARKSC-CYBMUJFWSA-N 0 0 455.515 2.623 40 0 JFABRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 ZINC000022518095 525238166 /nfs/dbraw/zinc/23/81/66/525238166.db2.gz NHUIBHRKQAZJOH-HKUYNNGSSA-N 0 0 458.584 2.635 40 0 JFABRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 ZINC000022518084 525238275 /nfs/dbraw/zinc/23/82/75/525238275.db2.gz NHUIBHRKQAZJOH-PKOBYXMFSA-N 0 0 458.584 2.635 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)NCc3ccccc3)cc2c1 ZINC000019563472 525477515 /nfs/dbraw/zinc/47/75/15/525477515.db2.gz FXPKLMZZOSRQLK-UHFFFAOYSA-N 0 0 450.539 2.581 40 0 JFABRN COc1ccc2[nH]c3nc(SCCNS(=O)(=O)c4ccc(NC(C)=O)cc4)nnc3c2c1 ZINC000012475776 525486224 /nfs/dbraw/zinc/48/62/24/525486224.db2.gz XXJIACXYAMFGCW-UHFFFAOYSA-N 0 0 472.552 2.544 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1 ZINC000014830692 525500413 /nfs/dbraw/zinc/50/04/13/525500413.db2.gz XPPNXYIQNBYFMS-UHFFFAOYSA-N 0 0 453.520 2.937 40 0 JFABRN Cc1ccc(S(=O)(=O)NC[C@H]2O[C@H](Cc3cc(COc4ccccc4)on3)CC[C@@H]2O)cc1 ZINC000077262973 525576976 /nfs/dbraw/zinc/57/69/76/525576976.db2.gz HSAZCUCNMYDSQI-NKKJXINNSA-N 0 0 472.563 2.992 40 0 biogenic,in-vitro JFABRN COc1ccc2nc(NC(=O)CSc3nnnn3-c3ccc4c(c3)OCCO4)sc2c1 ZINC000012468687 525674657 /nfs/dbraw/zinc/67/46/57/525674657.db2.gz XGLMSOOEAXPDDX-UHFFFAOYSA-N 0 0 456.509 2.783 40 0 JFABRN COc1cccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@@H]5C4=O)c3)CC2=O)c1 ZINC000013856960 526163217 /nfs/dbraw/zinc/16/32/17/526163217.db2.gz DRWCAAVPLFQKNF-JTBVBZOFSA-N 0 0 472.497 2.965 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2)Nc1nccs1 ZINC000013501579 526375462 /nfs/dbraw/zinc/37/54/62/526375462.db2.gz XLNJKRWZHRFTLQ-UHFFFAOYSA-N 0 0 480.546 2.983 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NC[C@H]1CCCO1)Cc1ccccc1Cl)Nc1nccs1 ZINC000013151090 526376096 /nfs/dbraw/zinc/37/60/96/526376096.db2.gz YIWHRILLKBNVBU-MRXNPFEDSA-N 0 0 464.975 2.839 40 0 JFABRN O=C(OC[C@]1(O)[C@H](OC(=O)c2ccccc2)C=C[C@@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 ZINC000014489557 526422771 /nfs/dbraw/zinc/42/27/71/526422771.db2.gz UEYWXBQABUNMMN-DFIMXKNXSA-N 0 0 488.492 2.956 40 0 biogenic,in-vitro JFABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000033103975 526597042 /nfs/dbraw/zinc/59/70/42/526597042.db2.gz AGGPPDSLEGKPHE-UHFFFAOYSA-N 0 0 455.580 2.864 40 0 JFABRN O=C(CN(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1C(F)(F)F)NC[C@@H]1CCCO1 ZINC000012471033 526692223 /nfs/dbraw/zinc/69/22/23/526692223.db2.gz JIYKLGICVQADSJ-AWEZNQCLSA-N 0 0 494.499 2.749 40 0 JFABRN O=C(CN(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1)NCc1ccco1 ZINC000013503175 526692449 /nfs/dbraw/zinc/69/24/49/526692449.db2.gz OOFJPOGMQGWXNK-UHFFFAOYSA-N 0 0 467.975 2.689 40 0 JFABRN O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1 ZINC000013503131 526702256 /nfs/dbraw/zinc/70/22/56/526702256.db2.gz ZRNFORUZFXDIGC-UHFFFAOYSA-N 0 0 489.594 2.553 40 0 JFABRN O=C(NCc1ccncc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000020481261 526791670 /nfs/dbraw/zinc/79/16/70/526791670.db2.gz FLDQFGJOINJTBY-UHFFFAOYSA-N 0 0 452.374 2.702 40 0 JFABRN O=C(COc1ccc(Br)cc1/C=c1\sc2ncnn2c1=O)Nc1ccc(F)cc1 ZINC000047154593 526947945 /nfs/dbraw/zinc/94/79/45/526947945.db2.gz YHIWJCQFSPIBTL-PXNMLYILSA-N 0 0 475.299 2.618 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Br)cc1F ZINC000016429045 526965535 /nfs/dbraw/zinc/96/55/35/526965535.db2.gz UADYGMHGKMOXCW-UHFFFAOYSA-N 0 0 473.320 2.627 40 0 JFABRN O=C(COc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(NS(=O)(=O)c3ccccc3)c12 ZINC000008263727 526982927 /nfs/dbraw/zinc/98/29/27/526982927.db2.gz WICKDZKETVILIK-RBUKOAKNSA-N 0 0 479.558 2.674 40 0 biogenic,in-vitro JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014829894 527253972 /nfs/dbraw/zinc/25/39/72/527253972.db2.gz CCURGFUDPHZIIF-UHFFFAOYSA-N 0 0 491.635 2.901 40 0 JFABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000006161797 527274350 /nfs/dbraw/zinc/27/43/50/527274350.db2.gz GFELDLNMXLPOPM-UHFFFAOYSA-N 0 0 486.504 2.822 40 0 JFABRN O=C(NCCCN1CCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000044946861 527673220 /nfs/dbraw/zinc/67/32/20/527673220.db2.gz IFUWXNGOPVQDEQ-UHFFFAOYSA-N 0 0 459.587 2.937 40 0 JFABRN Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4ccc(S(=O)(=O)N(C)C)cc4)nnc12)OCO3 ZINC000000887079 553825423 /nfs/dbraw/zinc/82/54/23/553825423.db2.gz DVDQZAXAFWIUNI-UHFFFAOYSA-N 0 0 499.574 2.901 40 0 JFABRN COc1cc2cc(CN(C[C@H]3CCCO3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2cc1OC ZINC000000895626 553831952 /nfs/dbraw/zinc/83/19/52/553831952.db2.gz ZJRKYMMBMGNYHK-QZTJIDSGSA-N 0 0 461.584 2.580 40 0 JFABRN NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1Cc1ccccc1 ZINC000000904734 553837198 /nfs/dbraw/zinc/83/71/98/553837198.db2.gz QBBZCBOZXMGBJY-UHFFFAOYSA-N 0 0 471.608 2.745 40 0 JFABRN CCN(CC)c1ccc(NC(=O)Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)c(C)c1 ZINC000000907943 553840305 /nfs/dbraw/zinc/84/03/05/553840305.db2.gz BEYUZKNADFALSO-UHFFFAOYSA-N 0 0 463.586 2.966 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1 ZINC000000909221 553840851 /nfs/dbraw/zinc/84/08/51/553840851.db2.gz APPWBISHLAOUHF-NFBKMPQASA-N 0 0 494.596 2.675 40 0 JFABRN COc1ccc(S(=O)(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000000918341 553849610 /nfs/dbraw/zinc/84/96/10/553849610.db2.gz UXSIIOLBECHXFM-FQEVSTJZSA-N 0 0 458.536 2.915 40 0 JFABRN O=S(=O)(c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)N1CCCCC1 ZINC000000920926 553853941 /nfs/dbraw/zinc/85/39/41/553853941.db2.gz IMTPWZTXRMDEGN-UHFFFAOYSA-N 0 0 467.588 2.511 40 0 JFABRN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000000922135 553855871 /nfs/dbraw/zinc/85/58/71/553855871.db2.gz CJFMALUISOCGPD-UHFFFAOYSA-N 0 0 480.554 2.748 40 0 JFABRN O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000922330 553856377 /nfs/dbraw/zinc/85/63/77/553856377.db2.gz ICNODTCFFFIGEG-UHFFFAOYSA-N 0 0 478.527 2.627 40 0 JFABRN CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCc3ccco3)cc2c1 ZINC000000924121 553859296 /nfs/dbraw/zinc/85/92/96/553859296.db2.gz ZFWTYHPHJVBJIO-UHFFFAOYSA-N 0 0 454.596 2.892 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000000926451 553862783 /nfs/dbraw/zinc/86/27/83/553862783.db2.gz HZBMUPVBKMIAFM-UHFFFAOYSA-N 0 0 460.538 2.631 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000926663 553862971 /nfs/dbraw/zinc/86/29/71/553862971.db2.gz JILRQNJQZXSXND-UHFFFAOYSA-N 0 0 466.567 2.958 40 0 JFABRN COc1ccc(C)cc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000000930458 553868026 /nfs/dbraw/zinc/86/80/26/553868026.db2.gz IIFWWUYZIMJHFI-UHFFFAOYSA-N 0 0 479.562 2.530 40 0 JFABRN CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)c1 ZINC000000932527 553871010 /nfs/dbraw/zinc/87/10/10/553871010.db2.gz VAVDYIMQDLYGBY-UHFFFAOYSA-N 0 0 475.571 2.543 40 0 JFABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000001225134 553936028 /nfs/dbraw/zinc/93/60/28/553936028.db2.gz MCMTXVZKMLOINU-UHFFFAOYSA-N 0 0 458.519 2.683 40 0 JFABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1 ZINC000001839440 553994173 /nfs/dbraw/zinc/99/41/73/553994173.db2.gz ZGVUWRXYZBVECR-UHFFFAOYSA-N 0 0 476.624 2.684 40 0 JFABRN CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)cc1)C(C(=O)OC)=C(C)N=2 ZINC000002671514 554279552 /nfs/dbraw/zinc/27/95/52/554279552.db2.gz DKZRIWOBJIEXIA-FBHQFGEZSA-N 0 0 464.543 2.816 40 0 JFABRN CN(C)c1ccc(NC(=S)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccco3)n2)cc1 ZINC000005396868 554489699 /nfs/dbraw/zinc/48/96/99/554489699.db2.gz HZNJGMYHXIMXGU-FMWKFLBASA-N 0 0 466.567 2.736 40 0 biogenic,in-vitro JFABRN CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006074743 554501995 /nfs/dbraw/zinc/50/19/95/554501995.db2.gz XCIOFCWHRVULSW-RBBKRZOGSA-N 0 0 495.559 2.538 40 0 JFABRN COc1cccc(N(CC(=O)NCCC(C)C)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)c1 ZINC000006134018 554505967 /nfs/dbraw/zinc/50/59/67/554505967.db2.gz STODKKZUIPBRMD-UHFFFAOYSA-N 0 0 496.568 2.561 40 0 JFABRN CC(C)CCNC(=O)[C@H](c1ccco1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000006134587 554506185 /nfs/dbraw/zinc/50/61/85/554506185.db2.gz CIXUPYFRYSFDMH-KRWDZBQOSA-N 0 0 459.528 2.556 40 0 JFABRN CC(C)CCNC(=O)[C@@H](c1ccco1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000006134274 554506215 /nfs/dbraw/zinc/50/62/15/554506215.db2.gz CIXUPYFRYSFDMH-QGZVFWFLSA-N 0 0 459.528 2.556 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000006227846 554520056 /nfs/dbraw/zinc/52/00/56/554520056.db2.gz LOPNUMAHPVKTCT-VOMPUTFMSA-N 0 0 470.572 2.877 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)N2CCCCC2)cc1 ZINC000006239821 554520952 /nfs/dbraw/zinc/52/09/52/554520952.db2.gz FJKNFMZHIMPFTB-XMMPIXPASA-N 0 0 488.548 2.918 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)N2CCCC2)cc1 ZINC000006239820 554521020 /nfs/dbraw/zinc/52/10/20/554521020.db2.gz IYRNANQNSPHEBN-HSZRJFAPSA-N 0 0 474.521 2.528 40 0 JFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1 ZINC000006245108 554521464 /nfs/dbraw/zinc/52/14/64/554521464.db2.gz WBPDGTKUIVYAQL-FQEVSTJZSA-N 0 0 478.578 2.975 40 0 JFABRN CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc2nc(C)sc2c1 ZINC000006461986 554542654 /nfs/dbraw/zinc/54/26/54/554542654.db2.gz XZRVOENCGGHHLU-UHFFFAOYSA-N 0 0 460.585 2.694 40 0 JFABRN CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(C)=O)C(=O)OCC ZINC000006546171 554549594 /nfs/dbraw/zinc/54/95/94/554549594.db2.gz LAZWHUPSJRHVFT-RPWUZVMVSA-N 0 0 498.576 2.704 40 0 JFABRN CCOc1ccc(N(CC(=O)NC(C)(C)C)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000006600888 554555737 /nfs/dbraw/zinc/55/57/37/554555737.db2.gz CLKXCVQOVVHMEM-UHFFFAOYSA-N 0 0 454.506 2.826 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N ZINC000006632148 554557330 /nfs/dbraw/zinc/55/73/30/554557330.db2.gz XRWBGGMAZFPZKY-CYBMUJFWSA-N 0 0 451.980 2.813 40 0 JFABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](CC)C(=O)NCc2ccccc2)cc1 ZINC000006821236 554558266 /nfs/dbraw/zinc/55/82/66/554558266.db2.gz OXVVHDHBLPVGBN-GOSISDBHSA-N 0 0 481.578 2.965 40 0 JFABRN COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000006973656 554562687 /nfs/dbraw/zinc/56/26/87/554562687.db2.gz OWNOJBSWCDPHRU-UHFFFAOYSA-N 0 0 466.517 2.970 40 0 JFABRN COc1cc(NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3cccs3)n2)cc(OC)c1 ZINC000008299426 554565461 /nfs/dbraw/zinc/56/54/61/554565461.db2.gz OCIGBOWJVLFBSL-FMWKFLBASA-N 0 0 483.550 2.991 40 0 biogenic,in-vitro JFABRN Cc1cccc(-c2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)N4CCOCC4)C[C@H]2C(=O)N3)c1C ZINC000008299978 554565604 /nfs/dbraw/zinc/56/56/04/554565604.db2.gz HSYPNMOUQXGFCJ-CVDCTZTESA-N 0 0 462.550 2.938 40 0 biogenic,in-vitro JFABRN COc1cc([C@@H]2OC(=O)[C@@H]3[C@H](c4ccc(OC(C)=O)c(OC)c4)OC(=O)[C@@H]23)ccc1OC(C)=O ZINC000008384507 554567576 /nfs/dbraw/zinc/56/75/76/554567576.db2.gz TZUOQQNNRRRFIM-LRSLUSHPSA-N 0 0 470.430 2.683 40 0 biogenic,in-vitro JFABRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1OC ZINC000008738810 554640267 /nfs/dbraw/zinc/64/02/67/554640267.db2.gz KQHPQMMPALRFHS-QYRPDUKASA-N 0 0 465.893 2.954 40 0 JFABRN CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000008877390 554772652 /nfs/dbraw/zinc/77/26/52/554772652.db2.gz JNTQSSGVHLUIBL-GRLUNPEZSA-N 0 0 464.643 2.883 40 0 biogenic JFABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1 ZINC000008898122 554788374 /nfs/dbraw/zinc/78/83/74/554788374.db2.gz QTYYXJJMRSNCSK-UHFFFAOYSA-N 0 0 490.651 2.930 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1 ZINC000008995079 554855425 /nfs/dbraw/zinc/85/54/25/554855425.db2.gz RWVXJOYOODFAMD-VWLOTQADSA-N 0 0 494.548 2.935 40 0 JFABRN CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2nc3ccccc3o2)CC1 ZINC000009001510 554859480 /nfs/dbraw/zinc/85/94/80/554859480.db2.gz NIPPGVWYWDSSOB-UHFFFAOYSA-N 0 0 454.556 2.983 40 0 JFABRN O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]1[C@H]1CCCN12 ZINC000009013218 554865011 /nfs/dbraw/zinc/86/50/11/554865011.db2.gz INSOEGISNFOBEP-VUYBDXIFSA-N 0 0 465.893 2.542 40 0 JFABRN Cc1ccc(C)c(N(CC(=O)NCc2ccco2)C(=O)CNS(=O)(=O)c2ccc(F)cc2)c1 ZINC000013150951 555357407 /nfs/dbraw/zinc/35/74/07/555357407.db2.gz URHXQFTZBAMARP-UHFFFAOYSA-N 0 0 473.526 2.663 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)C1CCCC1)Nc1nccs1 ZINC000013151080 555358228 /nfs/dbraw/zinc/35/82/28/555358228.db2.gz YONCECYPCPATPQ-UHFFFAOYSA-N 0 0 458.540 2.678 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495443 555407558 /nfs/dbraw/zinc/40/75/58/555407558.db2.gz NTLSGMDWYIJVTL-VQTJNVASSA-N 0 0 468.558 2.518 40 0 JFABRN CC[C@@H](c1nnnn1CCc1ccccc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013496040 555410899 /nfs/dbraw/zinc/41/08/99/555410899.db2.gz QZLQOJYFXFPJBJ-QFIPXVFZSA-N 0 0 490.564 2.822 40 0 JFABRN CC(C)[C@@H](c1nnnn1Cc1ccco1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013498809 555425211 /nfs/dbraw/zinc/42/52/11/555425211.db2.gz KFBWITFUDJBVTO-QHCPKHFHSA-N 0 0 494.552 2.509 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1)Nc1nccs1 ZINC000013502006 555452335 /nfs/dbraw/zinc/45/23/35/555452335.db2.gz HIOWGBCGNKPXQD-UHFFFAOYSA-N 0 0 480.546 2.936 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000013502478 555455500 /nfs/dbraw/zinc/45/55/00/555455500.db2.gz HECWWGGZJQNFEN-HSZRJFAPSA-N 0 0 465.485 2.696 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccc(C)cc1 ZINC000013502497 555455570 /nfs/dbraw/zinc/45/55/70/555455570.db2.gz FTOQTNVCCCDEOJ-XMMPIXPASA-N 0 0 461.522 2.865 40 0 JFABRN CC(C)[C@@H](C(=O)NCc1ccco1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502780 555457185 /nfs/dbraw/zinc/45/71/85/555457185.db2.gz LTRUYXOPQFPJEF-QFIPXVFZSA-N 0 0 489.619 2.989 40 0 JFABRN CC[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1F ZINC000013502819 555457551 /nfs/dbraw/zinc/45/75/51/555457551.db2.gz JZNVJYKVCDMQBU-HXUWFJFHSA-N 0 0 473.526 2.825 40 0 JFABRN CC[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1cccc(F)c1 ZINC000013502836 555457565 /nfs/dbraw/zinc/45/75/65/555457565.db2.gz RXLFKOJTMLYJIE-NRFANRHFSA-N 0 0 473.526 2.825 40 0 JFABRN CCC[C@@H](C(=O)NC[C@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1cccc(F)c1 ZINC000013502834 555457640 /nfs/dbraw/zinc/45/76/40/555457640.db2.gz SVAFHWMACRYMCS-IRLDBZIGSA-N 0 0 491.585 2.601 40 0 JFABRN CCC[C@@H](C(=O)NC[C@@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000013502852 555457884 /nfs/dbraw/zinc/45/78/84/555457884.db2.gz GMVXCGOYUHEDFB-UNMCSNQZSA-N 0 0 491.585 2.601 40 0 JFABRN CC[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000013502857 555457957 /nfs/dbraw/zinc/45/79/57/555457957.db2.gz WGQOJRCIYQUUOA-NRFANRHFSA-N 0 0 473.526 2.825 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCC2)C(C)C)cc1 ZINC000013502922 555458185 /nfs/dbraw/zinc/45/81/85/555458185.db2.gz HKNXOFQGTCCFJT-HSZRJFAPSA-N 0 0 475.611 2.979 40 0 JFABRN O=C(CN(Cc1ccccc1Cl)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1 ZINC000013503091 555459310 /nfs/dbraw/zinc/45/93/10/555459310.db2.gz PXBONYAZFSFWSA-UHFFFAOYSA-N 0 0 493.944 2.696 40 0 JFABRN Cc1ccc(N(CC(=O)NCc2ccco2)C(=O)CNS(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000013503147 555459584 /nfs/dbraw/zinc/45/95/84/555459584.db2.gz PEUPVJQVIZUPOC-UHFFFAOYSA-N 0 0 473.526 2.663 40 0 JFABRN O=C(CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 ZINC000013503202 555459838 /nfs/dbraw/zinc/45/98/38/555459838.db2.gz FGTGKFYPLAEJRH-UHFFFAOYSA-N 0 0 475.954 2.557 40 0 JFABRN O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1 ZINC000013503226 555460081 /nfs/dbraw/zinc/46/00/81/555460081.db2.gz YCQOOHGGLPCTMU-UHFFFAOYSA-N 0 0 489.981 2.599 40 0 JFABRN O=C(CN(Cc1ccccc1Cl)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1 ZINC000013503355 555460623 /nfs/dbraw/zinc/46/06/23/555460623.db2.gz ZQQYQWSDFALHLR-UHFFFAOYSA-N 0 0 475.954 2.557 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1OC ZINC000013504497 555463808 /nfs/dbraw/zinc/46/38/08/555463808.db2.gz SKCOQHMNBZVEPM-DVECYGJZSA-N 0 0 482.560 2.920 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1C ZINC000013505849 555468554 /nfs/dbraw/zinc/46/85/54/555468554.db2.gz HZRDMYUUOIVLIN-DVECYGJZSA-N 0 0 486.569 2.522 40 0 JFABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(CCOC)C(=O)CNC(=O)c1ccco1 ZINC000013507149 555475356 /nfs/dbraw/zinc/47/53/56/555475356.db2.gz WQSFGNADECSZGW-HSZRJFAPSA-N 0 0 471.554 2.683 40 0 JFABRN COCCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013508464 555478895 /nfs/dbraw/zinc/47/88/95/555478895.db2.gz IVNHSJKHFMBKHB-JOCHJYFZSA-N 0 0 451.458 2.701 40 0 JFABRN COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013508772 555479600 /nfs/dbraw/zinc/47/96/00/555479600.db2.gz XENDOFVZUJHFQQ-SANMLTNESA-N 0 0 487.560 2.973 40 0 JFABRN COCCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013509260 555480814 /nfs/dbraw/zinc/48/08/14/555480814.db2.gz OODICGDBPIRWLI-QHCPKHFHSA-N 0 0 462.485 2.503 40 0 JFABRN CC[C@@H](c1nnnn1CCOC)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013510428 555482330 /nfs/dbraw/zinc/48/23/30/555482330.db2.gz CXHVCXKWYOWDPI-IBGZPJMESA-N 0 0 466.498 2.636 40 0 JFABRN Cc1ccc(NC(=O)N(CCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000013511733 555483522 /nfs/dbraw/zinc/48/35/22/555483522.db2.gz YXQFAOGKUZZIJN-UHFFFAOYSA-N 0 0 464.522 2.932 40 0 JFABRN O=C(NCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000019831537 555505339 /nfs/dbraw/zinc/50/53/39/555505339.db2.gz VPFDKMALGFGEDS-UHFFFAOYSA-N 0 0 493.789 2.615 40 0 JFABRN COc1cc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(OC)c1 ZINC000013572232 555510638 /nfs/dbraw/zinc/51/06/38/555510638.db2.gz WKGKZSWIOQQYTB-LSDHHAIUSA-N 0 0 459.593 2.941 40 0 JFABRN CC(C)c1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1 ZINC000019856337 555515136 /nfs/dbraw/zinc/51/51/36/555515136.db2.gz KDLIOQWXHAMDGH-UHFFFAOYSA-N 0 0 459.568 2.687 40 0 JFABRN COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)c1 ZINC000013580738 555519181 /nfs/dbraw/zinc/51/91/81/555519181.db2.gz AKAIAVGZDUMFEK-CQSZACIVSA-N 0 0 452.504 2.891 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 ZINC000019867800 555522027 /nfs/dbraw/zinc/52/20/27/555522027.db2.gz CVXJNVMTWVUCFJ-UHFFFAOYSA-N 0 0 473.595 2.552 40 0 JFABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868895 555523606 /nfs/dbraw/zinc/52/36/06/555523606.db2.gz VRKKQTCNIYWXFP-IAGOWNOFSA-N 0 0 477.608 2.696 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868889 555523637 /nfs/dbraw/zinc/52/36/37/555523637.db2.gz HKQHBVBHUOFJCU-INIZCTEOSA-N 0 0 465.597 2.554 40 0 JFABRN COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)CC1 ZINC000013586007 555524276 /nfs/dbraw/zinc/52/42/76/555524276.db2.gz CNCDIMOZVHWAKK-UHFFFAOYSA-N 0 0 489.619 2.861 40 0 JFABRN COCCCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1 ZINC000009831479 555533801 /nfs/dbraw/zinc/53/38/01/555533801.db2.gz DLBIMDNVIDNXRR-UHFFFAOYSA-N 0 0 453.930 2.831 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000013633190 555543277 /nfs/dbraw/zinc/54/32/77/555543277.db2.gz OMWVYRNKZBGZAU-UHFFFAOYSA-N 0 0 451.976 2.708 40 0 JFABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019930766 555547716 /nfs/dbraw/zinc/54/77/16/555547716.db2.gz OJFACRMSIPPOIW-QPJJXVBHSA-N 0 0 453.608 2.918 40 0 JFABRN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000019932197 555549682 /nfs/dbraw/zinc/54/96/82/555549682.db2.gz AXKKOAJCNFXCQA-UHFFFAOYSA-N 0 0 471.579 2.727 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000019932855 555550336 /nfs/dbraw/zinc/55/03/36/555550336.db2.gz RKNKZHHJAFDCQE-UHFFFAOYSA-N 0 0 495.623 2.501 40 0 JFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1ccc2c(c1)OCCO2 ZINC000019935355 555552628 /nfs/dbraw/zinc/55/26/28/555552628.db2.gz RFWBYOYVMIHWJU-UHFFFAOYSA-N 0 0 452.916 2.913 40 0 JFABRN COC(=O)c1cc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc(C(=O)OC)c1 ZINC000019937710 555554343 /nfs/dbraw/zinc/55/43/43/555554343.db2.gz ZBUONNUYIZBZOS-UHFFFAOYSA-N 0 0 455.854 2.845 40 0 JFABRN Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940606 555559175 /nfs/dbraw/zinc/55/91/75/555559175.db2.gz YXEVKCONWVZBMD-JYFHCDHNSA-N 0 0 499.619 2.909 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000019941151 555560049 /nfs/dbraw/zinc/56/00/49/555560049.db2.gz YJWNMCAMQTTZML-MWOWJKGTSA-N 0 0 461.559 2.849 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(=O)OC)CC2)c2ccccc2)cc1 ZINC000013672108 555563954 /nfs/dbraw/zinc/56/39/54/555563954.db2.gz WQJSLQJJDQBJEO-UHFFFAOYSA-N 0 0 460.552 2.692 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)cc1Cl ZINC000013680124 555572340 /nfs/dbraw/zinc/57/23/40/555572340.db2.gz SOCASMSIFGEOMM-OAHLLOKOSA-N 0 0 492.985 2.940 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(c4ccccc4)CC3)cc2c1 ZINC000019972940 555574748 /nfs/dbraw/zinc/57/47/48/555574748.db2.gz IOUZVTVUUHKKGA-XMMPIXPASA-N 0 0 473.581 2.635 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCc4ccccc4C3)cc2c1 ZINC000019973301 555575525 /nfs/dbraw/zinc/57/55/25/555575525.db2.gz HCVFTNBALZHARB-HSZRJFAPSA-N 0 0 460.538 2.707 40 0 JFABRN Cc1ccc(NC(SCC(=O)NCc2ccco2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C ZINC000009973816 555575633 /nfs/dbraw/zinc/57/56/33/555575633.db2.gz ZHRIEYHITSOKLX-UHFFFAOYSA-N 0 0 456.524 2.620 40 0 JFABRN Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2 ZINC000019974081 555576293 /nfs/dbraw/zinc/57/62/93/555576293.db2.gz VVJITEIVIIYPTC-SNVBAGLBSA-N 0 0 470.839 2.632 40 0 JFABRN COc1ccc(NC(SCC(=O)Nc2ccccc2OC)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974131 555577398 /nfs/dbraw/zinc/57/73/98/555577398.db2.gz SKTBSYLIDPHZBY-UHFFFAOYSA-N 0 0 484.534 2.750 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000009974496 555579120 /nfs/dbraw/zinc/57/91/20/555579120.db2.gz ZYZXYSPCKYGQNH-SFHVURJKSA-N 0 0 461.559 2.584 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1OC ZINC000020005142 555579228 /nfs/dbraw/zinc/57/92/28/555579228.db2.gz FUDFRVJGIBGAGN-NRFANRHFSA-N 0 0 454.548 2.910 40 0 JFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)N(c1ccccc1)S(C)(=O)=O ZINC000013685919 555579241 /nfs/dbraw/zinc/57/92/41/555579241.db2.gz GQBPJTWMXUGFHG-RXVVDRJESA-N 0 0 459.568 2.779 40 0 JFABRN CCOCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000020006419 555581035 /nfs/dbraw/zinc/58/10/35/555581035.db2.gz FIGWBQPBBAJRRW-IBGZPJMESA-N 0 0 454.976 2.781 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000020009479 555584925 /nfs/dbraw/zinc/58/49/25/555584925.db2.gz QRODNXQGARSZON-QZTJIDSGSA-N 0 0 452.960 2.533 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(Br)cc2)cc1OC ZINC000020013046 555589158 /nfs/dbraw/zinc/58/91/58/555589158.db2.gz KUIYTAKHKXNQOL-CYBMUJFWSA-N 0 0 471.373 2.964 40 0 JFABRN CC[C@@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712489 555589985 /nfs/dbraw/zinc/58/99/85/555589985.db2.gz IHZROAGOKDGBNX-SFHVURJKSA-N 0 0 474.004 2.919 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1Cl ZINC000020013952 555590245 /nfs/dbraw/zinc/59/02/45/555590245.db2.gz OSJJZJZZZRERMX-CYBMUJFWSA-N 0 0 456.948 2.864 40 0 JFABRN CC[C@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713853 555591493 /nfs/dbraw/zinc/59/14/93/555591493.db2.gz RIKRWSFSNGFIHN-GOSISDBHSA-N 0 0 464.540 2.982 40 0 JFABRN CC[C@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714650 555592292 /nfs/dbraw/zinc/59/22/92/555592292.db2.gz DYAFBLIHGGMJOR-GOSISDBHSA-N 0 0 474.004 2.919 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)cc1Cl ZINC000020016250 555592263 /nfs/dbraw/zinc/59/22/63/555592263.db2.gz MQXUZIWMNZPQBT-CYBMUJFWSA-N 0 0 456.948 2.739 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(OC)c(OC)c3)C2)cc1C ZINC000020016783 555592828 /nfs/dbraw/zinc/59/28/28/555592828.db2.gz PWCBTLMPCUFPPX-GOSISDBHSA-N 0 0 462.568 2.738 40 0 JFABRN CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715752 555593384 /nfs/dbraw/zinc/59/33/84/555593384.db2.gz FHUMOBZOIDVXMW-SFHVURJKSA-N 0 0 466.487 2.582 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1ccc(F)c(F)c1F ZINC000020023183 555601125 /nfs/dbraw/zinc/60/11/25/555601125.db2.gz SGZNPQLBGNJWKC-UHFFFAOYSA-N 0 0 464.849 2.796 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2OC)c(Cl)c1 ZINC000020023221 555601160 /nfs/dbraw/zinc/60/11/60/555601160.db2.gz KMYXFNLSXYYNBB-AWEZNQCLSA-N 0 0 456.948 2.530 40 0 JFABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000020033543 555608765 /nfs/dbraw/zinc/60/87/65/555608765.db2.gz DKJXVIURWTTXDF-UHFFFAOYSA-N 0 0 486.619 2.739 40 0 JFABRN CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000010111057 555621931 /nfs/dbraw/zinc/62/19/31/555621931.db2.gz RYOSUUZOYZBXDQ-KRWDZBQOSA-N 0 0 462.568 2.760 40 0 JFABRN CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000020081440 555630237 /nfs/dbraw/zinc/63/02/37/555630237.db2.gz WDRPYPJFTNYDPJ-UHFFFAOYSA-N 0 0 477.652 2.614 40 0 JFABRN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000010119359 555630416 /nfs/dbraw/zinc/63/04/16/555630416.db2.gz QEMHNJQFWYGUSK-UHFFFAOYSA-N 0 0 477.391 2.766 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000020083390 555631250 /nfs/dbraw/zinc/63/12/50/555631250.db2.gz BMRNYMPMYYVDTG-VWLOTQADSA-N 0 0 487.608 2.685 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2)cc1I ZINC000020110732 555647198 /nfs/dbraw/zinc/64/71/98/555647198.db2.gz OEVRRJOTTMBFHY-UHFFFAOYSA-N 0 0 469.304 2.964 40 0 JFABRN COc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000020111257 555647738 /nfs/dbraw/zinc/64/77/38/555647738.db2.gz MCZSIYVHJPGJRM-UHFFFAOYSA-N 0 0 473.595 2.954 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2cc(OC)ccc2OC)C1C(=O)c1ccc(Cl)cc1 ZINC000010231955 555655566 /nfs/dbraw/zinc/65/55/66/555655566.db2.gz VBPNUVHZBJSOME-GOSISDBHSA-N 0 0 455.858 2.669 40 0 JFABRN Cc1cc(C)nc(SCCCn2c(N3CCc4ccccc4C3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000010248815 555660295 /nfs/dbraw/zinc/66/02/95/555660295.db2.gz VCFDMGNGRJKUSM-UHFFFAOYSA-N 0 0 477.594 2.575 40 0 JFABRN O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)nc2c1nnn2Cc1ccccc1 ZINC000013997837 555668338 /nfs/dbraw/zinc/66/83/38/555668338.db2.gz KIIPUHAXEIHPBM-HNNXBMFYSA-N 0 0 456.553 2.605 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1 ZINC000010288427 555674080 /nfs/dbraw/zinc/67/40/80/555674080.db2.gz XKQAYKPRNHQYSO-GOSISDBHSA-N 0 0 499.614 2.579 40 0 JFABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000010326147 555684902 /nfs/dbraw/zinc/68/49/02/555684902.db2.gz QGIBZYOPTXSCNF-GOSISDBHSA-N 0 0 452.463 2.812 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000010334736 555689770 /nfs/dbraw/zinc/68/97/70/555689770.db2.gz KYFPFRNNDVJKKY-LBPRGKRZSA-N 0 0 498.941 2.715 40 0 JFABRN CN(c1cccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1)S(C)(=O)=O ZINC000010334570 555689778 /nfs/dbraw/zinc/68/97/78/555689778.db2.gz NWJGUPICIYMOOK-UHFFFAOYSA-N 0 0 467.613 2.785 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010338844 555693194 /nfs/dbraw/zinc/69/31/94/555693194.db2.gz VAUGTRMJTNVPRX-OAHLLOKOSA-N 0 0 467.975 2.818 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000010542045 555725195 /nfs/dbraw/zinc/72/51/95/555725195.db2.gz ZXVWWTATILEPNM-UHFFFAOYSA-N 0 0 480.970 2.956 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000020236923 555730849 /nfs/dbraw/zinc/73/08/49/555730849.db2.gz LLMSYBHBOSCNDW-UHFFFAOYSA-N 0 0 486.015 2.919 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000014257334 555756773 /nfs/dbraw/zinc/75/67/73/555756773.db2.gz MSNHETKJVMHXIZ-SRKIZSPNSA-N 0 0 468.531 2.717 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000014291898 555793756 /nfs/dbraw/zinc/79/37/56/555793756.db2.gz ULCAKNSUOYCYBH-UHFFFAOYSA-N 0 0 476.551 2.925 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc2c(c1)OCO2 ZINC000014398292 555803963 /nfs/dbraw/zinc/80/39/63/555803963.db2.gz CGGBIBXDDZSVEY-UHFFFAOYSA-N 0 0 473.551 2.836 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1OC ZINC000014411176 555810283 /nfs/dbraw/zinc/81/02/83/555810283.db2.gz NUJDYRGGRNLLNG-UHFFFAOYSA-N 0 0 484.530 2.944 40 0 JFABRN O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 ZINC000014607229 555835910 /nfs/dbraw/zinc/83/59/10/555835910.db2.gz FIJIKXHHHQDVDM-HXUWFJFHSA-N 0 0 475.376 2.673 40 0 JFABRN C[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)NCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000011867056 555843723 /nfs/dbraw/zinc/84/37/23/555843723.db2.gz KQQXTKGPLZUWRC-URAKLDTCSA-N 0 0 482.577 2.709 40 0 JFABRN CCOC(=O)c1ccc(N2C(=O)C=C(NC3CCN(C(=O)c4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000015023293 555864389 /nfs/dbraw/zinc/86/43/89/555864389.db2.gz FFDNUVJONVILEU-UHFFFAOYSA-N 0 0 477.517 2.523 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(N4CCOCC4)n3)CC2)cc1 ZINC000022053303 555866971 /nfs/dbraw/zinc/86/69/71/555866971.db2.gz LSMWDMUAPAKZCA-FQEVSTJZSA-N 0 0 481.622 2.842 40 0 JFABRN O=S(=O)(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1 ZINC000022227737 555886478 /nfs/dbraw/zinc/88/64/78/555886478.db2.gz VEVYHZOEOGIXOF-UHFFFAOYSA-N 0 0 473.414 2.755 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cccc(Br)c2)cc1 ZINC000022228917 555887539 /nfs/dbraw/zinc/88/75/39/555887539.db2.gz JEPMRTRGXQPIBP-UHFFFAOYSA-N 0 0 482.400 2.777 40 0 JFABRN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022229198 555888098 /nfs/dbraw/zinc/88/80/98/555888098.db2.gz VRPHAKRNPFKTPA-UHFFFAOYSA-N 0 0 495.557 2.755 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)cc1 ZINC000015311915 555896123 /nfs/dbraw/zinc/89/61/23/555896123.db2.gz PYJVNRYMRWOQTR-UHFFFAOYSA-N 0 0 479.624 2.593 40 0 JFABRN NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246385 555896464 /nfs/dbraw/zinc/89/64/64/555896464.db2.gz JDRAWJRGKKSVCZ-GOSISDBHSA-N 0 0 484.405 2.607 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000022246859 555896931 /nfs/dbraw/zinc/89/69/31/555896931.db2.gz QWGPOBUCMQPQMC-OAQYLSRUSA-N 0 0 488.606 2.695 40 0 JFABRN CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CN1CCC(C(N)=O)CC1 ZINC000015318999 555897314 /nfs/dbraw/zinc/89/73/14/555897314.db2.gz VVAVXOVAYNFDDG-UHFFFAOYSA-N 0 0 452.349 2.823 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCn2ccnc2)cc1C ZINC000022247473 555897536 /nfs/dbraw/zinc/89/75/36/555897536.db2.gz NXRKHBDNAFVETC-JOCHJYFZSA-N 0 0 470.595 2.686 40 0 JFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCc1ccccc1Cl ZINC000022249214 555899529 /nfs/dbraw/zinc/89/95/29/555899529.db2.gz RLVXFUBRFAXZEF-UHFFFAOYSA-N 0 0 459.351 2.710 40 0 JFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N[C@H]1CCCc2ccccc21 ZINC000022250481 555900395 /nfs/dbraw/zinc/90/03/95/555900395.db2.gz QWQRUQOPRAELFW-IBGZPJMESA-N 0 0 464.971 2.934 40 0 JFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000022253037 555901276 /nfs/dbraw/zinc/90/12/76/555901276.db2.gz LPPHSPQNUWFAFH-UHFFFAOYSA-N 0 0 496.538 2.546 40 0 JFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000022252910 555901350 /nfs/dbraw/zinc/90/13/50/555901350.db2.gz VMMRQADUPBKHMC-UHFFFAOYSA-N 0 0 465.547 2.591 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(=O)N3CCOCC3)C2)cc1 ZINC000022258979 555906296 /nfs/dbraw/zinc/90/62/96/555906296.db2.gz OMMZRQXCCYEFTE-IBGZPJMESA-N 0 0 471.579 2.507 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cccc(Br)c2)cc1 ZINC000022276224 555913347 /nfs/dbraw/zinc/91/33/47/555913347.db2.gz JWEZWUWGCPFXRG-UHFFFAOYSA-N 0 0 453.358 2.812 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc(C(=O)OC)c1 ZINC000022458266 555930513 /nfs/dbraw/zinc/93/05/13/555930513.db2.gz LHXHFOYJJANCQF-CQSZACIVSA-N 0 0 494.953 2.953 40 0 JFABRN O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC[C@H]2CC(=O)N(CCN3CCNC3=O)CC[C@H]2C1 ZINC000015673222 555932058 /nfs/dbraw/zinc/93/20/58/555932058.db2.gz WMNYLNZPAICTEW-HOTGVXAUSA-N 0 0 483.491 2.703 40 0 biogenic,in-vitro JFABRN COc1cc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(C)=O)c4)CO[C@H]23)cc(OC)c1 ZINC000015709186 555953737 /nfs/dbraw/zinc/95/37/37/555953737.db2.gz YZJCCXSXJKRYGE-DXBBTUNJSA-N 0 0 485.493 2.811 40 0 biogenic,in-vitro JFABRN COc1ccc(NC(SCC(=O)N2[C@H](C)CCC[C@@H]2C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000012393947 555975431 /nfs/dbraw/zinc/97/54/31/555975431.db2.gz XTADELWNYIYATN-GASCZTMLSA-N 0 0 474.583 2.892 40 0 JFABRN COc1ccc(OC)c([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)c1 ZINC000022929067 555981334 /nfs/dbraw/zinc/98/13/34/555981334.db2.gz QWYXOPHCPNTHRT-RCZVLFRGSA-N 0 0 478.597 2.777 40 0 JFABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3ccc(OC)cc3)nnc1n(C)c2=O ZINC000023126396 556015433 /nfs/dbraw/zinc/01/54/33/556015433.db2.gz APHDJOQYTNHKGV-AWEZNQCLSA-N 0 0 494.577 2.849 40 0 JFABRN O=c1nc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000023479520 556074604 /nfs/dbraw/zinc/07/46/04/556074604.db2.gz NZFCQTLGEAPIKM-MRXNPFEDSA-N 0 0 479.027 2.610 40 0 JFABRN CCCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000023654425 556082324 /nfs/dbraw/zinc/08/23/24/556082324.db2.gz RQYBGMHMNPDKIG-UHFFFAOYSA-N 0 0 465.959 2.753 40 0 JFABRN CCOc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000024488386 556132114 /nfs/dbraw/zinc/13/21/14/556132114.db2.gz HGXBLFGXFPQXPT-MRXNPFEDSA-N 0 0 452.463 2.656 40 0 JFABRN CN(CC(=O)NCc1ccc(CN2CCOCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000024643345 556143277 /nfs/dbraw/zinc/14/32/77/556143277.db2.gz UFPAGKWNZMNALN-UHFFFAOYSA-N 0 0 467.591 2.609 40 0 JFABRN Cc1ccc(S(=O)(=O)N(c2cccc(-n3cnnn3)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000017043966 556210417 /nfs/dbraw/zinc/21/04/17/556210417.db2.gz IZJOUBRUSOSUEB-UHFFFAOYSA-N 0 0 469.548 2.863 40 0 JFABRN O=S(=O)(c1ccccc1F)N(c1cccc(-n2cnnn2)c1)S(=O)(=O)c1ccccc1F ZINC000017043986 556210444 /nfs/dbraw/zinc/21/04/44/556210444.db2.gz RATHNFFQACHXKG-UHFFFAOYSA-N 0 0 477.474 2.525 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1cccc(OC)c1 ZINC000013029664 556224151 /nfs/dbraw/zinc/22/41/51/556224151.db2.gz CUSQLZGSZPYACN-XMMPIXPASA-N 0 0 465.554 2.715 40 0 JFABRN CCN(CC)CC(=O)O[C@]1(CC)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000017141337 556224806 /nfs/dbraw/zinc/22/48/06/556224806.db2.gz XYFGJQHJTZRIDW-AREMUKBSSA-N 0 0 461.518 2.972 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1cccc(OC)c1 ZINC000013030365 556225709 /nfs/dbraw/zinc/22/57/09/556225709.db2.gz SIIFIQOFIPBWJB-DEOSSOPVSA-N 0 0 467.570 2.819 40 0 JFABRN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000025767292 556233089 /nfs/dbraw/zinc/23/30/89/556233089.db2.gz TVOPOMVBVZMBPN-QHCPKHFHSA-N 0 0 455.624 2.982 40 0 JFABRN Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000026099646 556240883 /nfs/dbraw/zinc/24/08/83/556240883.db2.gz ZUUSHCSOQJVUCT-UHFFFAOYSA-N 0 0 465.623 2.831 40 0 JFABRN CCS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)Oc2ccccc21 ZINC000026112676 556243936 /nfs/dbraw/zinc/24/39/36/556243936.db2.gz SDFGLMDQFJAZAU-NRFANRHFSA-N 0 0 463.987 2.914 40 0 JFABRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)Oc2ccccc21 ZINC000026112859 556244270 /nfs/dbraw/zinc/24/42/70/556244270.db2.gz MLQCLBJWYWERAO-QFIPXVFZSA-N 0 0 480.546 2.567 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 ZINC000026113230 556244552 /nfs/dbraw/zinc/24/45/52/556244552.db2.gz UKJKDCWXAQWVGI-JOCHJYFZSA-N 0 0 472.563 2.586 40 0 JFABRN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000026113296 556244562 /nfs/dbraw/zinc/24/45/62/556244562.db2.gz KBBDUGJNEGNPCS-HSZRJFAPSA-N 0 0 466.515 2.829 40 0 JFABRN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)CC1 ZINC000026116300 556246282 /nfs/dbraw/zinc/24/62/82/556246282.db2.gz NLVPXLUTGFRMRI-UHFFFAOYSA-N 0 0 454.614 2.998 40 0 JFABRN COc1c(I)cc(CSC[C@H]([NH3+])C(=O)[O-])cc1I ZINC000017301133 556253359 /nfs/dbraw/zinc/25/33/59/556253359.db2.gz ZRYYPTCFMQMBIC-VIFPVBQESA-N 0 0 493.104 2.550 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000026438671 556253820 /nfs/dbraw/zinc/25/38/20/556253820.db2.gz XQHMQVCRRVYMFW-IBGZPJMESA-N 0 0 481.500 2.853 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064131 556261558 /nfs/dbraw/zinc/26/15/58/556261558.db2.gz JAZHEIISTITWBF-NRFANRHFSA-N 0 0 468.558 2.982 40 0 JFABRN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000017636925 556263081 /nfs/dbraw/zinc/26/30/81/556263081.db2.gz AZDUHTWRIHCHCL-CYBMUJFWSA-N 0 0 463.364 2.711 40 0 JFABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OCC ZINC000017969917 556273614 /nfs/dbraw/zinc/27/36/14/556273614.db2.gz QTXCHXGOMAELKB-QGZVFWFLSA-N 0 0 462.568 2.996 40 0 JFABRN COCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 ZINC000013083615 556280261 /nfs/dbraw/zinc/28/02/61/556280261.db2.gz NDGVXDUOXBAZHP-NSHDSACASA-N 0 0 451.314 2.634 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@@H](Cc3cccc(C)c3)NC(C)=O)CC2)c1 ZINC000013084994 556282780 /nfs/dbraw/zinc/28/27/80/556282780.db2.gz JINBGGYTZPGZOU-HSZRJFAPSA-N 0 0 452.555 2.864 40 0 JFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)c1 ZINC000013085126 556283235 /nfs/dbraw/zinc/28/32/35/556283235.db2.gz IORKFMPHWWVWKJ-HSZRJFAPSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccccc1NC(=O)N1CCC(NC(=O)[C@H](Cc2ccccc2F)NC(C)=O)CC1 ZINC000013085189 556283248 /nfs/dbraw/zinc/28/32/48/556283248.db2.gz VNYHPWPDLWZKHV-NRFANRHFSA-N 0 0 456.518 2.694 40 0 JFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000013085295 556283803 /nfs/dbraw/zinc/28/38/03/556283803.db2.gz OWKSOKDNEAJABR-NRFANRHFSA-N 0 0 456.518 2.694 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000027632960 556301336 /nfs/dbraw/zinc/30/13/36/556301336.db2.gz WKDGZKZHCGCPOL-SFHVURJKSA-N 0 0 459.568 2.571 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000018217490 556311879 /nfs/dbraw/zinc/31/18/79/556311879.db2.gz JEOSHTJJFCFDDW-UHFFFAOYSA-N 0 0 457.596 2.623 40 0 JFABRN O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000013116831 556324582 /nfs/dbraw/zinc/32/45/82/556324582.db2.gz PIXQTRVQSZWOPZ-INIZCTEOSA-N 0 0 468.514 2.683 40 0 JFABRN CCOC(=O)C1CCN(C(=O)NCCCCCCNC(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000019075034 556327503 /nfs/dbraw/zinc/32/75/03/556327503.db2.gz NRCTVWBFQFGUNA-UHFFFAOYSA-N 0 0 482.622 2.516 40 0 JFABRN COCCn1nnnc1[C@H](c1coc2ccc(C)cc2c1=O)N1CCN(c2ccccc2)CC1 ZINC000019219763 556334564 /nfs/dbraw/zinc/33/45/64/556334564.db2.gz JJEFKLSOVRDPJU-QHCPKHFHSA-N 0 0 460.538 2.646 40 0 JFABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)cc2c1 ZINC000019220728 556334603 /nfs/dbraw/zinc/33/46/03/556334603.db2.gz RIQNYNZBIKGAOW-NRFANRHFSA-N 0 0 475.553 2.718 40 0 JFABRN Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019222007 556335554 /nfs/dbraw/zinc/33/55/54/556335554.db2.gz UJECIYMPNYDGDP-RCZVLFRGSA-N 0 0 485.592 2.914 40 0 JFABRN Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019222000 556335653 /nfs/dbraw/zinc/33/56/53/556335653.db2.gz UJECIYMPNYDGDP-WIOPSUGQSA-N 0 0 485.592 2.914 40 0 JFABRN Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019222009 556335688 /nfs/dbraw/zinc/33/56/88/556335688.db2.gz UJECIYMPNYDGDP-RDGATRHJSA-N 0 0 485.592 2.914 40 0 JFABRN O=C(c1ccco1)N1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2ccc(Cl)cc2)CC1 ZINC000019342060 556342842 /nfs/dbraw/zinc/34/28/42/556342842.db2.gz VBONLWFLPLCHLW-UYAOXDASSA-N 0 0 456.934 2.646 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21 ZINC000019499498 556348877 /nfs/dbraw/zinc/34/88/77/556348877.db2.gz HCPLMGHDMZFBQR-RUZDIDTESA-N 0 0 492.624 2.638 40 0 JFABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)cc2c1 ZINC000019563419 556354110 /nfs/dbraw/zinc/35/41/10/556354110.db2.gz PSVMHCYVEMPIHV-URXFXBBRSA-N 0 0 472.549 2.850 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cc3c(C)cc(C)cc3[nH]c2=O)N2CCN(C)CC2)cc1 ZINC000019569217 556355369 /nfs/dbraw/zinc/35/53/69/556355369.db2.gz XCQUOYGENPIIAF-DEOSSOPVSA-N 0 0 473.581 2.525 40 0 JFABRN COCCn1nnnc1[C@H](c1ccc(OC)c(OC)c1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000019593925 556356139 /nfs/dbraw/zinc/35/61/39/556356139.db2.gz PQHZGVWBSPIHSE-QFIPXVFZSA-N 0 0 495.609 2.858 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000030852358 556378218 /nfs/dbraw/zinc/37/82/18/556378218.db2.gz IHHLJVYVNSOYQS-KRWDZBQOSA-N 0 0 497.639 2.792 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1C(=O)N1CCCCC1 ZINC000030862582 556382272 /nfs/dbraw/zinc/38/22/72/556382272.db2.gz CXVGJZNZGDFQAP-UHFFFAOYSA-N 0 0 454.552 2.986 40 0 JFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000030869601 556384444 /nfs/dbraw/zinc/38/44/44/556384444.db2.gz ZBLDWOUVPKBOLF-UHFFFAOYSA-N 0 0 478.014 2.773 40 0 JFABRN CS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)Oc2ccccc21 ZINC000030945187 556389055 /nfs/dbraw/zinc/38/90/55/556389055.db2.gz PYVOUSRRYOFTQH-IBGZPJMESA-N 0 0 469.485 2.581 40 0 JFABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000031712213 556401974 /nfs/dbraw/zinc/40/19/74/556401974.db2.gz ZHOPBUAEAHJOKQ-KRWDZBQOSA-N 0 0 464.609 2.509 40 0 JFABRN O=C(Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)N1CCCC1 ZINC000032000636 556412584 /nfs/dbraw/zinc/41/25/84/556412584.db2.gz BSXSEPJQVLMYLM-UHFFFAOYSA-N 0 0 455.580 2.891 40 0 JFABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000032125093 556428782 /nfs/dbraw/zinc/42/87/82/556428782.db2.gz BDUNHOILHMXQPP-UHFFFAOYSA-N 0 0 483.015 2.557 40 0 JFABRN C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN21 ZINC000514290114 560030626 /nfs/dbraw/zinc/03/06/26/560030626.db2.gz TXJKPGSFHZFEHL-REWPJTCUSA-N 0 0 460.937 2.904 40 0 biogenic,in-vitro JFABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3Cl)C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000225440233 560042818 /nfs/dbraw/zinc/04/28/18/560042818.db2.gz ATRVGACTMUOPSX-QUCCMNQESA-N 0 0 460.361 2.552 40 0 biogenic,in-vitro JFABRN Cc1cc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccc(F)cc3)cc2)n(C)n1 ZINC000067896590 560050318 /nfs/dbraw/zinc/05/03/18/560050318.db2.gz UZJUNNOUJYFWFB-FYYLOGMGSA-N 0 0 452.486 2.581 40 0 biogenic,in-vitro JFABRN COc1cccc(CC(=O)N[C@@H]2CCC[C@@H](C(=O)NCc3cc(F)cc(F)c3)CC(=O)N(C)C2)c1 ZINC000096113355 560060480 /nfs/dbraw/zinc/06/04/80/560060480.db2.gz LMIHBUGALSYKDI-DENIHFKCSA-N 0 0 487.547 2.966 40 0 biogenic,in-vitro JFABRN Cn1ccnc1CN1C(=O)CO[C@H](c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2)[C@H]1CO ZINC000072321509 560077566 /nfs/dbraw/zinc/07/75/66/560077566.db2.gz JBLZKZFDWZCRIE-DENIHFKCSA-N 0 0 472.904 2.926 40 0 biogenic,in-vitro JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008582648 562939827 /nfs/dbraw/zinc/93/98/27/562939827.db2.gz ZPYWYUUAQNQIBV-UHFFFAOYSA-N 0 0 476.537 2.597 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(C[C@H]2CCCO2)[C@H](C(=O)NC2CCCC2)c2cccnc2)no1 ZINC000008673018 562949952 /nfs/dbraw/zinc/94/99/52/562949952.db2.gz VZSODILOJVVEDC-YKSBVNFPSA-N 0 0 483.569 2.904 40 0 JFABRN CCc1ccc([C@@H](C(=O)NCCOC)N(C(=O)Cn2nnc3ccccc32)c2cccnc2)cc1 ZINC000008677038 562950572 /nfs/dbraw/zinc/95/05/72/562950572.db2.gz PGOFRCCEHZECQG-VWLOTQADSA-N 0 0 472.549 2.926 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000059418395 569603244 /nfs/dbraw/zinc/60/32/44/569603244.db2.gz ZVOOFFAKPQULQL-QCHPHUCNSA-N 0 0 494.569 2.824 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000059418391 569603295 /nfs/dbraw/zinc/60/32/95/569603295.db2.gz PMNZWGBUXXSLFZ-ZRELAVNMSA-N 0 0 480.542 2.521 40 0 JFABRN COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059444170 569603978 /nfs/dbraw/zinc/60/39/78/569603978.db2.gz DTVMSANSLZPRTP-UHFFFAOYSA-N 0 0 471.535 2.619 40 0 JFABRN CC(C)OCCCn1c2nn(CC(=O)NCc3ccc(Cl)cc3)c(=O)n2c2ccccc2c1=O ZINC000064580729 569620627 /nfs/dbraw/zinc/62/06/27/569620627.db2.gz UWJLMUHFFRBPAT-UHFFFAOYSA-N 0 0 483.956 2.596 40 0 JFABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000033161472 569621742 /nfs/dbraw/zinc/62/17/42/569621742.db2.gz WXSQAFPFXVQXPK-RBUKOAKNSA-N 0 0 471.579 2.635 40 0 JFABRN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033397897 569625794 /nfs/dbraw/zinc/62/57/94/569625794.db2.gz YRRKGEJDIAXGHL-GOSISDBHSA-N 0 0 473.530 2.640 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1C ZINC000033528253 569627453 /nfs/dbraw/zinc/62/74/53/569627453.db2.gz QPUWIBWXFFRVKZ-UHFFFAOYSA-N 0 0 487.622 2.762 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc(OC)c3O[C@H](C)C(=O)OC)C2=O)o1 ZINC000033783244 569634793 /nfs/dbraw/zinc/63/47/93/569634793.db2.gz PVUYRIZWUJOZHL-OXFWXOROSA-N 0 0 492.868 2.761 40 0 JFABRN COC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC ZINC000033860666 569636597 /nfs/dbraw/zinc/63/65/97/569636597.db2.gz VMDSLPJMWQHQKV-YBEGLDIGSA-N 0 0 482.942 2.949 40 0 JFABRN CC(C)CCN1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C ZINC000033939835 569639226 /nfs/dbraw/zinc/63/92/26/569639226.db2.gz OUEYSXIPPYPTFG-KAJYBCESSA-N 0 0 459.631 2.937 40 0 JFABRN Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)N(CCC(C)C)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@]2(C)O4)no1 ZINC000033939896 569639258 /nfs/dbraw/zinc/63/92/58/569639258.db2.gz IPSHFRYOSMALDM-JPJDGNMPSA-N 0 0 484.597 2.957 40 0 JFABRN Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)N(c4cccc(F)c4)[C@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@]2(C)O4)no1 ZINC000033939929 569639261 /nfs/dbraw/zinc/63/92/61/569639261.db2.gz CLWRQBMHDCACBI-XBJFUPPCSA-N 0 0 482.512 2.721 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OC)cc3OC)C2=O)o1 ZINC000034706963 569649678 /nfs/dbraw/zinc/64/96/78/569649678.db2.gz QMAICICHMYNGGO-QPEQYQDCSA-N 0 0 465.256 2.939 40 0 JFABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)cc1 ZINC000034883011 569668826 /nfs/dbraw/zinc/66/88/26/569668826.db2.gz OHINUHOKMAWHHM-SFHVURJKSA-N 0 0 489.985 2.980 40 0 JFABRN CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n12 ZINC000034898283 569669712 /nfs/dbraw/zinc/66/97/12/569669712.db2.gz LZNSQADIXDQQRT-WHYLAYTHSA-N 0 0 456.527 2.665 40 0 JFABRN CCOC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5cccs5)[C@H]34)[C@@H]2C1=O ZINC000035053089 569674141 /nfs/dbraw/zinc/67/41/41/569674141.db2.gz RBCZJILDZWSGIA-RXPYQUJRSA-N 0 0 490.628 2.924 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(I)cc3)C2=O)o1 ZINC000035128845 569675385 /nfs/dbraw/zinc/67/53/85/569675385.db2.gz SJKQBMKZYUJFRA-JYRVWZFOSA-N 0 0 452.204 2.764 40 0 JFABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C1=O ZINC000035155641 569676301 /nfs/dbraw/zinc/67/63/01/569676301.db2.gz PKPMZVPWCRAUEB-LICLKQGHSA-N 0 0 492.269 2.936 40 0 JFABRN CC1(C)[C@H](C(=O)N[C@H](O)C(Cl)(Cl)Cl)C[C@H]1CC(=O)N[C@H](O)C(Cl)(Cl)Cl ZINC000035181700 569677622 /nfs/dbraw/zinc/67/76/22/569677622.db2.gz OGTLIIHRGUPOEW-DWAQLAQLSA-N 0 0 479.015 2.648 40 0 JFABRN COc1cccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)CN2C(=O)COc3ccccc32)c1 ZINC000035312759 569680259 /nfs/dbraw/zinc/68/02/59/569680259.db2.gz QJQMGZGFOKMNRD-UHFFFAOYSA-N 0 0 477.492 2.909 40 0 JFABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000035362600 569682398 /nfs/dbraw/zinc/68/23/98/569682398.db2.gz YXANNSLLRKGCSG-LICLKQGHSA-N 0 0 455.423 2.638 40 0 JFABRN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000035363484 569682564 /nfs/dbraw/zinc/68/25/64/569682564.db2.gz FAKXREPARBMKKB-IBGZPJMESA-N 0 0 469.567 2.809 40 0 JFABRN CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C ZINC000071257146 569696007 /nfs/dbraw/zinc/69/60/07/569696007.db2.gz OHIYLCSRPCKLGF-UHFFFAOYSA-N 0 0 494.622 2.550 40 0 JFABRN COc1ccc2c(c1OC)C(=O)N1CCc3c(Br)c(OC)c4c(c3[C@H]1[C@@H]2O)OCO4 ZINC000095470467 569723282 /nfs/dbraw/zinc/72/32/82/569723282.db2.gz KXRBFODKEMDLDG-JKSUJKDBSA-N 0 0 478.295 2.990 40 0 JFABRN COc1cccc(CC(=O)N2CC[C@]3(C2)c2ccccc2S(=O)(=O)N3Cc2cccnc2)c1 ZINC000096143135 569736461 /nfs/dbraw/zinc/73/64/61/569736461.db2.gz VMKHEIMEKBQGQF-VWLOTQADSA-N 0 0 463.559 2.965 40 0 JFABRN COc1cccc(CC(=O)N2CC[C@@]3(C2)c2ccccc2S(=O)(=O)N3Cc2cccnc2)c1 ZINC000096143134 569736571 /nfs/dbraw/zinc/73/65/71/569736571.db2.gz VMKHEIMEKBQGQF-RUZDIDTESA-N 0 0 463.559 2.965 40 0 JFABRN Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@@H](N)C(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)CC2 ZINC000098091928 569750767 /nfs/dbraw/zinc/75/07/67/569750767.db2.gz RYYVRFAJTNFQBC-GOSISDBHSA-N 0 0 496.674 2.967 40 0 JFABRN COC(=O)[C@@]1(CCSC)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000100422216 569759898 /nfs/dbraw/zinc/75/98/98/569759898.db2.gz QGKJXAMFYPSPLC-IFOBJOEFSA-N 0 0 496.585 2.881 40 0 JFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)N(c1ccccc1)S(C)(=O)=O ZINC000037021540 569781178 /nfs/dbraw/zinc/78/11/78/569781178.db2.gz GQBPJTWMXUGFHG-NQIIRXRSSA-N 0 0 459.568 2.779 40 0 JFABRN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000101463857 569798482 /nfs/dbraw/zinc/79/84/82/569798482.db2.gz XYGURDJCWVRDFP-HDICACEKSA-N 0 0 487.578 2.563 40 0 JFABRN CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)NC1CCCC1 ZINC000101475760 569798951 /nfs/dbraw/zinc/79/89/51/569798951.db2.gz BSTDFXFLIQXRHX-JQVVWYNYSA-N 0 0 463.644 2.971 40 0 JFABRN COc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000038187520 569800538 /nfs/dbraw/zinc/80/05/38/569800538.db2.gz PRTJEIVLDFHKHR-OAHLLOKOSA-N 0 0 461.400 2.907 40 0 JFABRN Cc1cc(NC(=O)COc2ccccc2[C@@H]2CC(=O)N=C3NC=NN32)ccc1Br ZINC000038206928 569801000 /nfs/dbraw/zinc/80/10/00/569801000.db2.gz RBEFPHXFYUPUMQ-INIZCTEOSA-N 0 0 456.300 2.951 40 0 JFABRN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCN(C)CC3)ccc1OCC)[nH]c2=S ZINC000038403603 569801422 /nfs/dbraw/zinc/80/14/22/569801422.db2.gz LJUBVCQVNMLSTQ-UHFFFAOYSA-N 0 0 490.655 2.606 40 0 in-vitro JFABRN CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N3)CC1 ZINC000038828278 569808292 /nfs/dbraw/zinc/80/82/92/569808292.db2.gz BQCXMAAUOCAFLG-OAHLLOKOSA-N 0 0 487.944 2.576 40 0 JFABRN CCc1c(C)nc2n(c1=O)CN(CCN1CCOCC1)CN2c1cccc(C(F)(F)F)c1 ZINC000038830036 569808368 /nfs/dbraw/zinc/80/83/68/569808368.db2.gz HJLCBALTYVKCSU-UHFFFAOYSA-N 0 0 451.493 2.834 40 0 JFABRN CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(CC(=O)NC[C@@H]3CCCO3)c21 ZINC000039556294 569810283 /nfs/dbraw/zinc/81/02/83/569810283.db2.gz LGRSJVOZYBLFJE-HRVJUDJTSA-N 0 0 454.596 2.919 40 0 JFABRN CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccc(Br)cc23)N(C)C1=S ZINC000039556299 569810293 /nfs/dbraw/zinc/81/02/93/569810293.db2.gz BCEAZGVDZZTWOU-ZDLGFXPLSA-N 0 0 491.411 2.682 40 0 JFABRN CCN1C(=O)/C(=C/c2cn(CC(=O)NCCCOC)c3ccc(Br)cc23)N(C)C1=S ZINC000039556418 569810346 /nfs/dbraw/zinc/81/03/46/569810346.db2.gz KFXYEKADMBDLEJ-ZDLGFXPLSA-N 0 0 493.427 2.976 40 0 JFABRN CCN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985358 569812981 /nfs/dbraw/zinc/81/29/81/569812981.db2.gz DNGYXFUEBQHXHV-UHFFFAOYSA-N 0 0 480.428 2.804 40 0 JFABRN CCCNC(=O)Cn1c(=O)/c(=C\c2ccc(Cl)cc2Cl)s/c1=C\C(=O)C(C)(C)C ZINC000040161591 569822777 /nfs/dbraw/zinc/82/27/77/569822777.db2.gz RTWARCDRMOLLCW-ISYLLUTPSA-N 0 0 455.407 2.967 40 0 JFABRN O=C(COc1cccc2cccnc21)Nn1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O ZINC000040388255 569824530 /nfs/dbraw/zinc/82/45/30/569824530.db2.gz ZTNGMIIQQIXLHU-UHFFFAOYSA-N 0 0 463.457 2.804 40 0 JFABRN CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 ZINC000040390699 569825080 /nfs/dbraw/zinc/82/50/80/569825080.db2.gz YKVFIHFMCZLKLN-QGZVFWFLSA-N 0 0 459.506 2.796 40 0 JFABRN CCc1nn2c(nnc3c2ccn(NC(=O)COc2ccccc2)c3=O)c1-c1ccc(F)cc1 ZINC000040391783 569825327 /nfs/dbraw/zinc/82/53/27/569825327.db2.gz SWPWCPGCNILKFG-UHFFFAOYSA-N 0 0 458.453 2.957 40 0 JFABRN O=C(COc1cccc2cccnc21)Nn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000040391517 569825330 /nfs/dbraw/zinc/82/53/30/569825330.db2.gz VKSZVOXATUKXQZ-UHFFFAOYSA-N 0 0 481.447 2.943 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000044791990 569838919 /nfs/dbraw/zinc/83/89/19/569838919.db2.gz FBLBARUYTZEMRQ-UHFFFAOYSA-N 0 0 459.568 2.799 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000044802680 569839209 /nfs/dbraw/zinc/83/92/09/569839209.db2.gz YNNQACAXYOHOHX-UHFFFAOYSA-N 0 0 483.546 2.945 40 0 JFABRN COC(=O)CN1C(=O)S/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)C1=O ZINC000106758644 569855628 /nfs/dbraw/zinc/85/56/28/569855628.db2.gz LLAUVZRLNKDBSK-BOPFTXTBSA-N 0 0 463.489 2.672 40 0 JFABRN COc1ccc(CC(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccccc3OC)n2C)cc1 ZINC000107567679 569856556 /nfs/dbraw/zinc/85/65/56/569856556.db2.gz DFDADFKTCBUOKX-OAHLLOKOSA-N 0 0 469.567 2.983 40 0 JFABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)cc1 ZINC000107559794 569856572 /nfs/dbraw/zinc/85/65/72/569856572.db2.gz UNUZLGNGZHFCRZ-KRWDZBQOSA-N 0 0 475.958 2.671 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)c(OC)c3)CC2)c1 ZINC000107580435 569856602 /nfs/dbraw/zinc/85/66/02/569856602.db2.gz ZRNVUHZIGMKFKC-UHFFFAOYSA-N 0 0 464.540 2.760 40 0 JFABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)cc1Cl ZINC000108170461 569858942 /nfs/dbraw/zinc/85/89/42/569858942.db2.gz CLDDXDRBEHAVQV-CAOOACKPSA-N 0 0 475.910 2.888 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)Cc2ccccc2)c1 ZINC000109004465 569860239 /nfs/dbraw/zinc/86/02/39/569860239.db2.gz LOBFZISXBVXRDZ-UHFFFAOYSA-N 0 0 498.557 2.940 40 0 JFABRN COC(=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(O)[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000123310034 569864312 /nfs/dbraw/zinc/86/43/12/569864312.db2.gz ISPHXQUMAWDLMY-VWAYROTFSA-N 0 0 464.555 2.586 40 0 JFABRN CSCC[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(=O)Nc1ccc(F)cc1 ZINC000135643041 569864394 /nfs/dbraw/zinc/86/43/94/569864394.db2.gz SBXGJTDRAXFXJP-FCEWJHQRSA-N 0 0 458.559 2.877 40 0 JFABRN COc1ccc(CC(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)cc1 ZINC000138604318 569865989 /nfs/dbraw/zinc/86/59/89/569865989.db2.gz DFYFLLVAFOPRGM-XGSKYMIRSA-N 0 0 464.470 2.767 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1 ZINC000138744016 569866353 /nfs/dbraw/zinc/86/63/53/569866353.db2.gz XJFNYDDLHLCRKU-LJQANCHMSA-N 0 0 466.490 2.991 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)cc1 ZINC000138850741 569866501 /nfs/dbraw/zinc/86/65/01/569866501.db2.gz IIAVHGNWIAPXGW-MRXNPFEDSA-N 0 0 488.338 2.741 40 0 JFABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(OC)c(OC)c2)C1 ZINC000139105871 569867111 /nfs/dbraw/zinc/86/71/11/569867111.db2.gz MGANYQGONCMIQI-IBGZPJMESA-N 0 0 497.548 2.504 40 0 JFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)CC(=O)N2 ZINC000139113764 569867245 /nfs/dbraw/zinc/86/72/45/569867245.db2.gz GOWFFJGARZCUAZ-LSDHHAIUSA-N 0 0 485.541 2.629 40 0 JFABRN O=C(NC[C@H]1CCCO1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000144005067 569867722 /nfs/dbraw/zinc/86/77/22/569867722.db2.gz AURILOUBZCPVJZ-IEBWSBKVSA-N 0 0 467.385 2.634 40 0 JFABRN CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000169685353 569871310 /nfs/dbraw/zinc/87/13/10/569871310.db2.gz DIPYURAAKXFSKI-XTDOFWJNSA-N 0 0 473.787 2.624 40 0 JFABRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 ZINC000197340320 569873683 /nfs/dbraw/zinc/87/36/83/569873683.db2.gz IXDAIHWITNHTKY-HNNXBMFYSA-N 0 0 454.556 2.587 40 0 JFABRN Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)N(C2CCCCC2)C2CCCCC2)N(C)S(=O)(=O)N1 ZINC000208532470 569875804 /nfs/dbraw/zinc/87/58/04/569875804.db2.gz GOZNFZDZAQSTHB-RTWAWAEBSA-N 0 0 451.637 2.802 40 0 JFABRN O=C(N/C(=C/c1ccc(I)o1)C(=O)N1CCOCC1)c1ccccc1 ZINC000211413713 569876143 /nfs/dbraw/zinc/87/61/43/569876143.db2.gz DRBTZZOBTBSKFB-NTCAYCPXSA-N 0 0 452.248 2.514 40 0 JFABRN COc1ccc(S[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC ZINC000216284963 569878123 /nfs/dbraw/zinc/87/81/23/569878123.db2.gz SIBDRLTVTJJFSU-INIZCTEOSA-N 0 0 450.582 2.718 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222370773 569883951 /nfs/dbraw/zinc/88/39/51/569883951.db2.gz WVKBNFKSGLARAI-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000222413270 569884176 /nfs/dbraw/zinc/88/41/76/569884176.db2.gz AWPKXLGRNCTJRD-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222415388 569884215 /nfs/dbraw/zinc/88/42/15/569884215.db2.gz HLKSSIWLEKNSRO-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222435900 569884326 /nfs/dbraw/zinc/88/43/26/569884326.db2.gz BOGSRQBRSIORCA-LJQANCHMSA-N 0 0 467.591 2.932 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222435957 569884347 /nfs/dbraw/zinc/88/43/47/569884347.db2.gz BOGSRQBRSIORCA-IBGZPJMESA-N 0 0 467.591 2.932 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000222462668 569884441 /nfs/dbraw/zinc/88/44/41/569884441.db2.gz SJYOHVVPUFMTIJ-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222482534 569884716 /nfs/dbraw/zinc/88/47/16/569884716.db2.gz SNRAKJZGLOVFMF-LJQANCHMSA-N 0 0 467.591 2.932 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000222503790 569884958 /nfs/dbraw/zinc/88/49/58/569884958.db2.gz ALVREWJTMBCFJE-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000222507302 569884965 /nfs/dbraw/zinc/88/49/65/569884965.db2.gz COVYEJQVCRTQHL-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000222507369 569884973 /nfs/dbraw/zinc/88/49/73/569884973.db2.gz COVYEJQVCRTQHL-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222504527 569885007 /nfs/dbraw/zinc/88/50/07/569885007.db2.gz DOHUIQDLJYYLPG-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000222504075 569885008 /nfs/dbraw/zinc/88/50/08/569885008.db2.gz KVAZDELHEBNLGY-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000222538913 569885321 /nfs/dbraw/zinc/88/53/21/569885321.db2.gz WCHKGHCMGCSZSI-GOSISDBHSA-N 0 0 471.608 2.781 40 0 JFABRN O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000222538988 569885354 /nfs/dbraw/zinc/88/53/54/569885354.db2.gz WCHKGHCMGCSZSI-SFHVURJKSA-N 0 0 471.608 2.781 40 0 JFABRN COc1cccc(OC)c1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 ZINC000222547320 569885548 /nfs/dbraw/zinc/88/55/48/569885548.db2.gz RZPDNMNVGXXPKO-QGZVFWFLSA-N 0 0 462.568 2.738 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222553369 569885690 /nfs/dbraw/zinc/88/56/90/569885690.db2.gz WOLZVSMTICUSGD-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 ZINC000222566864 569885923 /nfs/dbraw/zinc/88/59/23/569885923.db2.gz WWETUYXCDBJUPR-SFHVURJKSA-N 0 0 462.568 2.772 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222569251 569885971 /nfs/dbraw/zinc/88/59/71/569885971.db2.gz XNZSKWAWIWBIFU-GOSISDBHSA-N 0 0 495.045 2.733 40 0 JFABRN COc1cccc(-c2noc(CNC(=O)CCCN(c3cccc(OC)c3)S(C)(=O)=O)n2)c1 ZINC000222567681 569885978 /nfs/dbraw/zinc/88/59/78/569885978.db2.gz FCWRTCPEGYOSNJ-UHFFFAOYSA-N 0 0 474.539 2.616 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000222626011 569887231 /nfs/dbraw/zinc/88/72/31/569887231.db2.gz DKAZWHVYJHUVHZ-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC)S(C)(=O)=O ZINC000222628469 569887291 /nfs/dbraw/zinc/88/72/91/569887291.db2.gz MLXQJOMDVCWTNX-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 ZINC000222629923 569887364 /nfs/dbraw/zinc/88/73/64/569887364.db2.gz RECIGGLTFOXXCR-UHFFFAOYSA-N 0 0 495.623 2.532 40 0 JFABRN COC(=O)c1cn(C(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c2ccccc12 ZINC000222631612 569887435 /nfs/dbraw/zinc/88/74/35/569887435.db2.gz GWNAJZYOPXATOM-CQSZACIVSA-N 0 0 460.508 2.940 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)s1 ZINC000222654272 569887751 /nfs/dbraw/zinc/88/77/51/569887751.db2.gz IPINTSCPYJQWCD-UHFFFAOYSA-N 0 0 478.577 2.881 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222664074 569887972 /nfs/dbraw/zinc/88/79/72/569887972.db2.gz CKPITTNGIWBJRA-IBGZPJMESA-N 0 0 459.612 2.948 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222665597 569887986 /nfs/dbraw/zinc/88/79/86/569887986.db2.gz RBUXOKZIMQURCE-GOSISDBHSA-N 0 0 492.617 2.771 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222666587 569888043 /nfs/dbraw/zinc/88/80/43/569888043.db2.gz RWOFKWUGADBMKK-SFHVURJKSA-N 0 0 485.606 2.943 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222675577 569888277 /nfs/dbraw/zinc/88/82/77/569888277.db2.gz WJBKEUWAYGAFAX-CYBMUJFWSA-N 0 0 498.388 2.691 40 0 JFABRN C[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc2c(c1)OCCO2 ZINC000222713701 569889342 /nfs/dbraw/zinc/88/93/42/569889342.db2.gz BKGIACOSFBGUIV-BUXKBTBVSA-N 0 0 452.916 2.516 40 0 JFABRN C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000222727668 569889698 /nfs/dbraw/zinc/88/96/98/569889698.db2.gz GIXIJRFJCFYOHA-IBGZPJMESA-N 0 0 459.974 2.585 40 0 JFABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000222734919 569889831 /nfs/dbraw/zinc/88/98/31/569889831.db2.gz DOQYNCLHUPYLTN-INIZCTEOSA-N 0 0 451.976 2.852 40 0 JFABRN Cc1nc(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2C)n[nH]1 ZINC000222762859 569890519 /nfs/dbraw/zinc/89/05/19/569890519.db2.gz ACKAUEDSDULESP-UHFFFAOYSA-N 0 0 475.596 2.818 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222796908 569891340 /nfs/dbraw/zinc/89/13/40/569891340.db2.gz RYJWPTUDRJDFRY-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000222813146 569891742 /nfs/dbraw/zinc/89/17/42/569891742.db2.gz OQMCGGRUGYTWDX-UHFFFAOYSA-N 0 0 462.524 2.819 40 0 JFABRN CCCSc1nnc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 ZINC000222817943 569891858 /nfs/dbraw/zinc/89/18/58/569891858.db2.gz SLQJFTLPLJFQLC-NSHDSACASA-N 0 0 458.587 2.605 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222818206 569891865 /nfs/dbraw/zinc/89/18/65/569891865.db2.gz QPGBVBLDLFYOJA-GOSISDBHSA-N 0 0 483.590 2.632 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222818990 569891934 /nfs/dbraw/zinc/89/19/34/569891934.db2.gz BUXCDMGDCLRGDG-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222820365 569891988 /nfs/dbraw/zinc/89/19/88/569891988.db2.gz QTFAGEIFMNPXNF-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000222862374 569892965 /nfs/dbraw/zinc/89/29/65/569892965.db2.gz YSZXYJSMGVYDLD-GOSISDBHSA-N 0 0 475.611 2.748 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000222868393 569893108 /nfs/dbraw/zinc/89/31/08/569893108.db2.gz XDQNBNJYNBPLOK-NRFANRHFSA-N 0 0 493.601 2.932 40 0 JFABRN CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222878856 569893382 /nfs/dbraw/zinc/89/33/82/569893382.db2.gz BFWXIXNZCZRVIE-XMMPIXPASA-N 0 0 493.585 2.638 40 0 JFABRN C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222881874 569893453 /nfs/dbraw/zinc/89/34/53/569893453.db2.gz LMSWGSDRRNKSFV-SFHVURJKSA-N 0 0 477.964 2.724 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222887391 569893603 /nfs/dbraw/zinc/89/36/03/569893603.db2.gz FSUWQULBOVMFLV-BDTNDASRSA-N 0 0 469.582 2.668 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2O1 ZINC000222889373 569893673 /nfs/dbraw/zinc/89/36/73/569893673.db2.gz WWLZHLKKBHFJMJ-QFIPXVFZSA-N 0 0 472.563 2.761 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222891327 569893741 /nfs/dbraw/zinc/89/37/41/569893741.db2.gz ZFEGBFRECFWJMM-QGZVFWFLSA-N 0 0 466.003 2.620 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000222902058 569893932 /nfs/dbraw/zinc/89/39/32/569893932.db2.gz ACYULXGEFAVMFH-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222904304 569894011 /nfs/dbraw/zinc/89/40/11/569894011.db2.gz BBTDKCAJLGXSLZ-GOSISDBHSA-N 0 0 463.575 2.578 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000222905440 569894044 /nfs/dbraw/zinc/89/40/44/569894044.db2.gz ROJRULUKJKRSIQ-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000222909765 569894079 /nfs/dbraw/zinc/89/40/79/569894079.db2.gz DMISRYZADJWHCY-IBGZPJMESA-N 0 0 459.612 2.782 40 0 JFABRN COc1ccc(C(=O)NCCNc2ccnc3cc(Cl)ccc32)cc1S(=O)(=O)N(C)C ZINC000222911604 569894162 /nfs/dbraw/zinc/89/41/62/569894162.db2.gz JLOSMEDBLOAENB-UHFFFAOYSA-N 0 0 462.959 2.989 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(I)cc1 ZINC000222912977 569894183 /nfs/dbraw/zinc/89/41/83/569894183.db2.gz MZGNUMOIQFRDQI-OAHLLOKOSA-N 0 0 466.319 2.876 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222913090 569894189 /nfs/dbraw/zinc/89/41/89/569894189.db2.gz ASRJSYNNDJRNSO-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(I)cc1 ZINC000222913034 569894196 /nfs/dbraw/zinc/89/41/96/569894196.db2.gz MZGNUMOIQFRDQI-HNNXBMFYSA-N 0 0 466.319 2.876 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222913998 569894201 /nfs/dbraw/zinc/89/42/01/569894201.db2.gz KHDWAMONGKIOQK-JOCHJYFZSA-N 0 0 459.612 2.827 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222913336 569894234 /nfs/dbraw/zinc/89/42/34/569894234.db2.gz PCADSPYGMXJOQU-FQEVSTJZSA-N 0 0 459.612 2.747 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222916189 569894338 /nfs/dbraw/zinc/89/43/38/569894338.db2.gz KJFDIKPASPRAKU-QHCPKHFHSA-N 0 0 489.638 2.836 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222927167 569894627 /nfs/dbraw/zinc/89/46/27/569894627.db2.gz PFQRLKAOVCPOKD-INIZCTEOSA-N 0 0 491.997 2.818 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222935535 569894883 /nfs/dbraw/zinc/89/48/83/569894883.db2.gz LCMDFNBYXGFCTP-QHCPKHFHSA-N 0 0 473.639 2.990 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222938462 569894962 /nfs/dbraw/zinc/89/49/62/569894962.db2.gz WPSYXQMPYLSIQA-JOCHJYFZSA-N 0 0 499.633 2.986 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222938340 569894984 /nfs/dbraw/zinc/89/49/84/569894984.db2.gz WQIUASBHJUTGRJ-HXUWFJFHSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222945972 569895185 /nfs/dbraw/zinc/89/51/85/569895185.db2.gz FJIYLYSAKZXDPZ-LJQANCHMSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000222951799 569895270 /nfs/dbraw/zinc/89/52/70/569895270.db2.gz APAQBBOBEHQWBD-GOSISDBHSA-N 0 0 463.575 2.762 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222951012 569895301 /nfs/dbraw/zinc/89/53/01/569895301.db2.gz ZUWXFDIVZTZGLL-NRFANRHFSA-N 0 0 463.575 2.925 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000222953733 569895332 /nfs/dbraw/zinc/89/53/32/569895332.db2.gz RGSAPQNCOYEYBW-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CCSc1nnc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)s1 ZINC000222953814 569895347 /nfs/dbraw/zinc/89/53/47/569895347.db2.gz FPYZBZCYUZOSDS-UHFFFAOYSA-N 0 0 451.393 2.817 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222958984 569895471 /nfs/dbraw/zinc/89/54/71/569895471.db2.gz FSCYLOFZEFNVKH-IBGZPJMESA-N 0 0 451.976 2.514 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222961175 569895486 /nfs/dbraw/zinc/89/54/86/569895486.db2.gz CUVFSVVEILPTAX-FQEVSTJZSA-N 0 0 463.575 2.925 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222965564 569895680 /nfs/dbraw/zinc/89/56/80/569895680.db2.gz WDHUHPGLMPKUNK-SFHVURJKSA-N 0 0 463.575 2.925 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000222971852 569895833 /nfs/dbraw/zinc/89/58/33/569895833.db2.gz RYIOOJNWEQBXDY-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222977580 569895911 /nfs/dbraw/zinc/89/59/11/569895911.db2.gz HSTZPJBYZZCEDK-OAHLLOKOSA-N 0 0 469.966 2.653 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222976637 569895955 /nfs/dbraw/zinc/89/59/55/569895955.db2.gz YLFQMSDMOLICTO-HXUWFJFHSA-N 0 0 474.627 2.633 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000222981085 569896024 /nfs/dbraw/zinc/89/60/24/569896024.db2.gz JUVCDEJYHBLGOR-OAQYLSRUSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000222981167 569896054 /nfs/dbraw/zinc/89/60/54/569896054.db2.gz HZTSPOYOQZVDHA-NRFANRHFSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000222981231 569896058 /nfs/dbraw/zinc/89/60/58/569896058.db2.gz HZTSPOYOQZVDHA-OAQYLSRUSA-N 0 0 459.612 2.931 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222982974 569896086 /nfs/dbraw/zinc/89/60/86/569896086.db2.gz UBHDUOMFDBBQFO-QFIPXVFZSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000222985300 569896209 /nfs/dbraw/zinc/89/62/09/569896209.db2.gz GEXCPINCDKFPMC-OAQYLSRUSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222995052 569896490 /nfs/dbraw/zinc/89/64/90/569896490.db2.gz FZSLRNLGYGSDBV-FQEVSTJZSA-N 0 0 467.538 2.593 40 0 JFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223008871 569896680 /nfs/dbraw/zinc/89/66/80/569896680.db2.gz KTJMTFWKXKYRHK-RUZDIDTESA-N 0 0 493.629 2.834 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223028362 569897194 /nfs/dbraw/zinc/89/71/94/569897194.db2.gz AYOYEFQEVLZHKL-NRFANRHFSA-N 0 0 459.612 2.931 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000223030353 569897271 /nfs/dbraw/zinc/89/72/71/569897271.db2.gz WALBNOSSDBDHAI-QFIPXVFZSA-N 0 0 475.611 2.713 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223037235 569897459 /nfs/dbraw/zinc/89/74/59/569897459.db2.gz HWZJAIIYQNSZMS-KRWDZBQOSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223041959 569897562 /nfs/dbraw/zinc/89/75/62/569897562.db2.gz YBTVEFHYGZKRDG-FQEVSTJZSA-N 0 0 467.538 2.593 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223075270 569898694 /nfs/dbraw/zinc/89/86/94/569898694.db2.gz BLKZQWQDXQGIRN-JOCHJYFZSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223098805 569899390 /nfs/dbraw/zinc/89/93/90/569899390.db2.gz YMCGAQPLZZLYAX-HXUWFJFHSA-N 0 0 466.003 2.822 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223115277 569899844 /nfs/dbraw/zinc/89/98/44/569899844.db2.gz WVNMRKMGKOIYJY-RBUKOAKNSA-N 0 0 492.617 2.771 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223120098 569900006 /nfs/dbraw/zinc/90/00/06/569900006.db2.gz XHMUKECKTJDTDC-IBGZPJMESA-N 0 0 451.976 2.659 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223129161 569900367 /nfs/dbraw/zinc/90/03/67/569900367.db2.gz ZGYPOWWJXJERTO-SFHVURJKSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223164941 569901660 /nfs/dbraw/zinc/90/16/60/569901660.db2.gz RKSORQOZFKZNHN-LJQANCHMSA-N 0 0 451.976 2.659 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223167096 569901780 /nfs/dbraw/zinc/90/17/80/569901780.db2.gz NKNDUFWCSVYSNG-HXUWFJFHSA-N 0 0 482.002 2.668 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000223175727 569902137 /nfs/dbraw/zinc/90/21/37/569902137.db2.gz ZLBWSUVVIWXYIX-MRXNPFEDSA-N 0 0 478.567 2.899 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223175840 569902142 /nfs/dbraw/zinc/90/21/42/569902142.db2.gz ICDXVLQRFCVZBZ-OAQYLSRUSA-N 0 0 494.013 2.862 40 0 JFABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN(Cc1ccccc1F)S(C)(=O)=O ZINC000223177399 569902191 /nfs/dbraw/zinc/90/21/91/569902191.db2.gz UNWIKMPTUBBKBY-UHFFFAOYSA-N 0 0 466.922 2.949 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223177583 569902192 /nfs/dbraw/zinc/90/21/92/569902192.db2.gz UXZURTFZSKRYRY-FQEVSTJZSA-N 0 0 481.018 2.506 40 0 JFABRN COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223180977 569902322 /nfs/dbraw/zinc/90/23/22/569902322.db2.gz HYGNQCNXGZWWCY-DHIUTWEWSA-N 0 0 457.644 2.841 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223181417 569902416 /nfs/dbraw/zinc/90/24/16/569902416.db2.gz VQYSWPLIBJUIHO-FQEVSTJZSA-N 0 0 499.008 2.645 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223209904 569903531 /nfs/dbraw/zinc/90/35/31/569903531.db2.gz ZBANIOBGPCWCOI-NRFANRHFSA-N 0 0 463.575 2.762 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223210026 569903555 /nfs/dbraw/zinc/90/35/55/569903555.db2.gz LTBJFRFLBRECLI-NRFANRHFSA-N 0 0 463.575 2.762 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223213339 569903735 /nfs/dbraw/zinc/90/37/35/569903735.db2.gz DKURMAVBYDYNRY-LJQANCHMSA-N 0 0 499.992 2.807 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223216876 569903811 /nfs/dbraw/zinc/90/38/11/569903811.db2.gz RSMBJLZEFRMWGS-INIZCTEOSA-N 0 0 491.997 2.818 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 ZINC000223230132 569904258 /nfs/dbraw/zinc/90/42/58/569904258.db2.gz ZGRKUFQHXNBCPL-LEWJYISDSA-N 0 0 482.624 2.911 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223232957 569904325 /nfs/dbraw/zinc/90/43/25/569904325.db2.gz WCBMFYLIOWZHOR-IBGZPJMESA-N 0 0 469.966 2.653 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)s1 ZINC000223282315 569906014 /nfs/dbraw/zinc/90/60/14/569906014.db2.gz FWKVFURYEKRMMK-JTQLQIEISA-N 0 0 479.005 2.558 40 0 JFABRN COc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000223315158 569907195 /nfs/dbraw/zinc/90/71/95/569907195.db2.gz KYUSVFZRJIYREG-QGZVFWFLSA-N 0 0 450.557 2.834 40 0 JFABRN CC(C)OCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000223331988 569907824 /nfs/dbraw/zinc/90/78/24/569907824.db2.gz FNQNSCSOVTZNFP-XMMPIXPASA-N 0 0 489.638 2.579 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223430540 569911132 /nfs/dbraw/zinc/91/11/32/569911132.db2.gz HXXIHGLEFCWIIQ-NRFANRHFSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223430400 569911153 /nfs/dbraw/zinc/91/11/53/569911153.db2.gz JVFAOOYIHDENLH-NRFANRHFSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223430807 569911171 /nfs/dbraw/zinc/91/11/71/569911171.db2.gz QEUQOMRVBPNHKF-QFIPXVFZSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223445625 569911619 /nfs/dbraw/zinc/91/16/19/569911619.db2.gz QPSRXBMZBXKLAQ-JOCHJYFZSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223449840 569911724 /nfs/dbraw/zinc/91/17/24/569911724.db2.gz YZEVLYWAGQCCMB-OAQYLSRUSA-N 0 0 451.523 2.625 40 0 JFABRN CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223467591 569912253 /nfs/dbraw/zinc/91/22/53/569912253.db2.gz SVHSJPZQJSNWRZ-JOCHJYFZSA-N 0 0 463.575 2.559 40 0 JFABRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O[C@H]1CC(=O)NC1=O ZINC000223467941 569912269 /nfs/dbraw/zinc/91/22/69/569912269.db2.gz RJQFEOQLJIVNSW-PMACEKPBSA-N 0 0 468.506 2.660 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223474196 569912531 /nfs/dbraw/zinc/91/25/31/569912531.db2.gz YIWDXLRGKTZZFG-LJQANCHMSA-N 0 0 466.003 2.702 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223477374 569912652 /nfs/dbraw/zinc/91/26/52/569912652.db2.gz NSSJQSBOQRSDME-OAQYLSRUSA-N 0 0 459.612 2.665 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223497783 569913562 /nfs/dbraw/zinc/91/35/62/569913562.db2.gz CBIMGYIEXAPGOE-OAQYLSRUSA-N 0 0 489.638 2.837 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000223520642 569914421 /nfs/dbraw/zinc/91/44/21/569914421.db2.gz BMSGHRRPHQZWHP-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000223530878 569914745 /nfs/dbraw/zinc/91/47/45/569914745.db2.gz FLQDTUUBIKILIX-UHFFFAOYSA-N 0 0 456.520 2.572 40 0 JFABRN Cc1ccc(C(=O)NCCOc2cccc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000223532391 569914832 /nfs/dbraw/zinc/91/48/32/569914832.db2.gz UKPMDFFMMUDAOM-UHFFFAOYSA-N 0 0 454.548 2.978 40 0 JFABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223536949 569915005 /nfs/dbraw/zinc/91/50/05/569915005.db2.gz LJYILVYVNHLBRR-QHCPKHFHSA-N 0 0 475.611 2.573 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223542176 569915331 /nfs/dbraw/zinc/91/53/31/569915331.db2.gz DSWSUTRVWFRNDP-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223563736 569916241 /nfs/dbraw/zinc/91/62/41/569916241.db2.gz IIKGJTXKUDPJDF-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223566368 569916349 /nfs/dbraw/zinc/91/63/49/569916349.db2.gz ISJYLXJQAHWNPV-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN COc1ccc(N(CCCC(=O)NCc2cccc(N3CCCC3=O)c2)S(C)(=O)=O)cc1 ZINC000223575920 569916601 /nfs/dbraw/zinc/91/66/01/569916601.db2.gz MITUPYWWSRMVGJ-UHFFFAOYSA-N 0 0 459.568 2.685 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223580076 569916788 /nfs/dbraw/zinc/91/67/88/569916788.db2.gz JLGRHOFQKCVAKZ-NRFANRHFSA-N 0 0 488.654 2.778 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c1 ZINC000223592137 569917111 /nfs/dbraw/zinc/91/71/11/569917111.db2.gz XQYZGNYJYNQFTI-UHFFFAOYSA-N 0 0 458.536 2.818 40 0 JFABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1OC ZINC000223605087 569917653 /nfs/dbraw/zinc/91/76/53/569917653.db2.gz DRKIPWZHJXCLLC-UHFFFAOYSA-N 0 0 472.523 2.701 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223609139 569917802 /nfs/dbraw/zinc/91/78/02/569917802.db2.gz VBFJRVAZYVQFGC-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1ccc2c(c1)OCO2 ZINC000223610352 569917854 /nfs/dbraw/zinc/91/78/54/569917854.db2.gz KBRQPDFDMJPDAW-UHFFFAOYSA-N 0 0 456.520 2.920 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 ZINC000223637949 569918654 /nfs/dbraw/zinc/91/86/54/569918654.db2.gz JWNYKZJRCZBGNG-HNNXBMFYSA-N 0 0 474.539 2.615 40 0 JFABRN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000223650404 569918899 /nfs/dbraw/zinc/91/88/99/569918899.db2.gz RSLKQAZRHDCVNJ-UHFFFAOYSA-N 0 0 473.639 2.870 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223653515 569919040 /nfs/dbraw/zinc/91/90/40/569919040.db2.gz APKYVXWUVLSBOX-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223653579 569919082 /nfs/dbraw/zinc/91/90/82/569919082.db2.gz APKYVXWUVLSBOX-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223655909 569919152 /nfs/dbraw/zinc/91/91/52/569919152.db2.gz YGMWPUCCCOVHES-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223665629 569919424 /nfs/dbraw/zinc/91/94/24/569919424.db2.gz PSIRNNLRTGAKBT-MRXNPFEDSA-N 0 0 467.538 2.593 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223696845 569920259 /nfs/dbraw/zinc/92/02/59/569920259.db2.gz MENITCRKHRWIHE-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1OC ZINC000223699122 569920363 /nfs/dbraw/zinc/92/03/63/569920363.db2.gz GPRHJNSOGOSFEK-UHFFFAOYSA-N 0 0 462.553 2.790 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223717783 569920971 /nfs/dbraw/zinc/92/09/71/569920971.db2.gz SINBMLWYCASJMM-MRXNPFEDSA-N 0 0 499.008 2.645 40 0 JFABRN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)CC1 ZINC000223721366 569921096 /nfs/dbraw/zinc/92/10/96/569921096.db2.gz MKJSGVXVRQPVJB-UHFFFAOYSA-N 0 0 473.639 2.870 40 0 JFABRN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3C(C)(C)C)c2)CC1 ZINC000223721454 569921102 /nfs/dbraw/zinc/92/11/02/569921102.db2.gz LLHYWUWEZSPEES-UHFFFAOYSA-N 0 0 459.612 2.729 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223739975 569921793 /nfs/dbraw/zinc/92/17/93/569921793.db2.gz SDGVUXKCUNFAOL-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223741726 569921801 /nfs/dbraw/zinc/92/18/01/569921801.db2.gz OOCAVTSESVICSP-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223741587 569921813 /nfs/dbraw/zinc/92/18/13/569921813.db2.gz IMRNUOKETHZBPE-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)s1 ZINC000223750504 569922058 /nfs/dbraw/zinc/92/20/58/569922058.db2.gz JTQZTZSECJWJPD-MRXNPFEDSA-N 0 0 462.578 2.996 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223751241 569922106 /nfs/dbraw/zinc/92/21/06/569922106.db2.gz IYJOFXCMTPELRK-MRXNPFEDSA-N 0 0 494.013 2.862 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)s2)cc1 ZINC000223755461 569922219 /nfs/dbraw/zinc/92/22/19/569922219.db2.gz PTWPENJZFYZSEF-UHFFFAOYSA-N 0 0 474.564 2.795 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223753673 569922233 /nfs/dbraw/zinc/92/22/33/569922233.db2.gz PXXWIGSPRMPJII-AWEZNQCLSA-N 0 0 487.956 2.938 40 0 JFABRN C[C@H](CNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccccc1 ZINC000223773163 569922791 /nfs/dbraw/zinc/92/27/91/569922791.db2.gz FCZWRLBSXTVWLX-CQSZACIVSA-N 0 0 472.348 2.977 40 0 JFABRN Cc1cccc(OCCNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 ZINC000223772857 569922820 /nfs/dbraw/zinc/92/28/20/569922820.db2.gz BZELOEZXXWKOFV-UHFFFAOYSA-N 0 0 488.347 2.561 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223785778 569923288 /nfs/dbraw/zinc/92/32/88/569923288.db2.gz GRFATWORTYLDCZ-KRWDZBQOSA-N 0 0 463.575 2.708 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223789708 569923368 /nfs/dbraw/zinc/92/33/68/569923368.db2.gz CWQZTYRZZQXSIC-SFHVURJKSA-N 0 0 463.575 2.762 40 0 JFABRN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)CC1 ZINC000223796671 569923651 /nfs/dbraw/zinc/92/36/51/569923651.db2.gz MUHQPZAAGAAKQS-UHFFFAOYSA-N 0 0 458.009 2.995 40 0 JFABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223813856 569924109 /nfs/dbraw/zinc/92/41/09/569924109.db2.gz XGVZZJNPMWKABP-FQEVSTJZSA-N 0 0 489.569 2.694 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223827988 569924519 /nfs/dbraw/zinc/92/45/19/569924519.db2.gz APKQRNNYAWJVJV-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223828122 569924542 /nfs/dbraw/zinc/92/45/42/569924542.db2.gz XIZCTMMHPWISKX-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223835790 569924727 /nfs/dbraw/zinc/92/47/27/569924727.db2.gz LCHFXUUMTMNTKL-INIZCTEOSA-N 0 0 491.997 2.818 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223854306 569925205 /nfs/dbraw/zinc/92/52/05/569925205.db2.gz XEZMETGVHLTWND-INIZCTEOSA-N 0 0 480.608 2.764 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223857754 569925289 /nfs/dbraw/zinc/92/52/89/569925289.db2.gz YPIBJILVTDVPBF-CYBMUJFWSA-N 0 0 498.388 2.691 40 0 JFABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000223865784 569925553 /nfs/dbraw/zinc/92/55/53/569925553.db2.gz SMSZEPUZAZTOLE-GOSISDBHSA-N 0 0 478.636 2.818 40 0 JFABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000223866072 569925590 /nfs/dbraw/zinc/92/55/90/569925590.db2.gz XFTFGIOOXGGBOO-INIZCTEOSA-N 0 0 482.599 2.648 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223866834 569925596 /nfs/dbraw/zinc/92/55/96/569925596.db2.gz UMRLQXFACDZBLJ-MRXNPFEDSA-N 0 0 467.538 2.674 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)CN(Cc3ccc(C)cc3)S(C)(=O)=O)n2)cc1 ZINC000223870182 569925748 /nfs/dbraw/zinc/92/57/48/569925748.db2.gz UMOYXLKSBDYWEZ-UHFFFAOYSA-N 0 0 458.540 2.522 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)s1 ZINC000223907880 569926896 /nfs/dbraw/zinc/92/68/96/569926896.db2.gz DVXMHOBVEQZMIC-UHFFFAOYSA-N 0 0 484.625 2.929 40 0 JFABRN Cc1cccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1C ZINC000223952606 569928253 /nfs/dbraw/zinc/92/82/53/569928253.db2.gz KRWOKEQSCUMKAU-UHFFFAOYSA-N 0 0 466.003 2.702 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223983507 569929457 /nfs/dbraw/zinc/92/94/57/569929457.db2.gz BALJUEBEGMENSE-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN COc1ccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 ZINC000223996168 569929816 /nfs/dbraw/zinc/92/98/16/569929816.db2.gz LBKXELQVLMBZQN-HSZRJFAPSA-N 0 0 468.531 2.847 40 0 JFABRN O=C(NCCOc1ccc(F)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000223997086 569929859 /nfs/dbraw/zinc/92/98/59/569929859.db2.gz UADIYMVVUVZXDZ-JOCHJYFZSA-N 0 0 456.495 2.977 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000224003966 569930109 /nfs/dbraw/zinc/93/01/09/569930109.db2.gz NVRLJIPBFYZOJY-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN COc1ccccc1OCCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000224012028 569930458 /nfs/dbraw/zinc/93/04/58/569930458.db2.gz SFHNUTCOYBPBCP-CQSZACIVSA-N 0 0 456.948 2.707 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224021911 569930858 /nfs/dbraw/zinc/93/08/58/569930858.db2.gz JHCCTZTWPXZAEN-SFHVURJKSA-N 0 0 475.611 2.577 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224022396 569930867 /nfs/dbraw/zinc/93/08/67/569930867.db2.gz YOOIDBRVXDDWEW-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000224031641 569931194 /nfs/dbraw/zinc/93/11/94/569931194.db2.gz VECJZHFSYHBIFG-HNNXBMFYSA-N 0 0 499.992 2.807 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000224045502 569931630 /nfs/dbraw/zinc/93/16/30/569931630.db2.gz VKQDTJRFHHQIJB-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224055021 569931882 /nfs/dbraw/zinc/93/18/82/569931882.db2.gz DFYDBPSDCQOQPN-IBGZPJMESA-N 0 0 487.622 2.937 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000224063867 569932095 /nfs/dbraw/zinc/93/20/95/569932095.db2.gz DWCFSLYWOIQGCI-HXUWFJFHSA-N 0 0 459.612 2.665 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224064122 569932114 /nfs/dbraw/zinc/93/21/14/569932114.db2.gz RICKOICXZBZSJK-HXUWFJFHSA-N 0 0 459.612 2.665 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000224068242 569932276 /nfs/dbraw/zinc/93/22/76/569932276.db2.gz YSIQJGMVVOXLEX-FQEVSTJZSA-N 0 0 459.612 2.665 40 0 JFABRN COc1ccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224068502 569932293 /nfs/dbraw/zinc/93/22/93/569932293.db2.gz PLXHTLUCWPQSRU-OFAXGOBFSA-N 0 0 481.593 2.812 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224069352 569932329 /nfs/dbraw/zinc/93/23/29/569932329.db2.gz YKOIFWHQBKVSJV-KRWDZBQOSA-N 0 0 493.601 2.932 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224087187 569932856 /nfs/dbraw/zinc/93/28/56/569932856.db2.gz PUHVUOVTYYUOME-HXUWFJFHSA-N 0 0 471.623 2.971 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000224087754 569932899 /nfs/dbraw/zinc/93/28/99/569932899.db2.gz YRMQMRFCMPTQDC-HXUWFJFHSA-N 0 0 489.638 2.837 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224092734 569933061 /nfs/dbraw/zinc/93/30/61/569933061.db2.gz PZJJDWDDTPAPRA-GOSISDBHSA-N 0 0 463.575 2.781 40 0 JFABRN CCCc1ccc(OCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000224114908 569933649 /nfs/dbraw/zinc/93/36/49/569933649.db2.gz KNSPAFBHNAEWKT-KRWDZBQOSA-N 0 0 462.568 2.760 40 0 JFABRN Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl ZINC000224148927 569934533 /nfs/dbraw/zinc/93/45/33/569934533.db2.gz ABTYCJJUTVHNMD-OAHLLOKOSA-N 0 0 468.959 2.769 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000224150626 569934538 /nfs/dbraw/zinc/93/45/38/569934538.db2.gz IVSHRLQKOCFMKA-UHFFFAOYSA-N 0 0 458.458 2.949 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224160081 569934935 /nfs/dbraw/zinc/93/49/35/569934935.db2.gz LWVUURNVDLJMSJ-OAQYLSRUSA-N 0 0 463.575 2.844 40 0 JFABRN Cc1cccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224166572 569935092 /nfs/dbraw/zinc/93/50/92/569935092.db2.gz YBNUYYHMVONNRO-FCEUIQTBSA-N 0 0 453.583 2.826 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000224186126 569935691 /nfs/dbraw/zinc/93/56/91/569935691.db2.gz IPSWIDXTDMHYGS-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN CC1CC[NH+](CCC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)CC1 ZINC000224199464 569936193 /nfs/dbraw/zinc/93/61/93/569936193.db2.gz ASOHOYHANAFXPS-UHFFFAOYSA-N 0 0 458.009 2.844 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224204116 569936348 /nfs/dbraw/zinc/93/63/48/569936348.db2.gz FRKCVOXONOREJK-NRFANRHFSA-N 0 0 463.575 2.844 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(Cl)cc3)C2)cc1 ZINC000224215473 569936797 /nfs/dbraw/zinc/93/67/97/569936797.db2.gz BNPFADQCWJWGJQ-MRXNPFEDSA-N 0 0 452.960 2.945 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224225646 569937134 /nfs/dbraw/zinc/93/71/34/569937134.db2.gz VCXRPNDXTDWMET-INIZCTEOSA-N 0 0 491.997 2.674 40 0 JFABRN Cc1cc(OCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc(C)c1Br ZINC000224233973 569937445 /nfs/dbraw/zinc/93/74/45/569937445.db2.gz FUMSLOIMIYXSOD-UHFFFAOYSA-N 0 0 485.400 2.890 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224241783 569937758 /nfs/dbraw/zinc/93/77/58/569937758.db2.gz MOSHEGKDOIHXED-NRFANRHFSA-N 0 0 463.575 2.844 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000224290016 569939500 /nfs/dbraw/zinc/93/95/00/569939500.db2.gz OFJCPLBIDCXNBM-UHFFFAOYSA-N 0 0 472.567 2.895 40 0 JFABRN COc1ccc(CCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC ZINC000224321150 569940438 /nfs/dbraw/zinc/94/04/38/569940438.db2.gz IOGXCWIWPMEUHL-UHFFFAOYSA-N 0 0 462.568 2.616 40 0 JFABRN CC[C@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224330509 569940870 /nfs/dbraw/zinc/94/08/70/569940870.db2.gz XQCHBYWKEGPOPH-CQSZACIVSA-N 0 0 472.614 2.603 40 0 JFABRN O=C(COc1ccc2c(c1)CCCC2)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224343518 569941282 /nfs/dbraw/zinc/94/12/82/569941282.db2.gz RMNXGSNYUORKDN-UHFFFAOYSA-N 0 0 458.580 2.924 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224342559 569941303 /nfs/dbraw/zinc/94/13/03/569941303.db2.gz FKQNDQBNBQPKGJ-HSALFYBXSA-N 0 0 459.974 2.925 40 0 JFABRN COc1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000224355937 569941725 /nfs/dbraw/zinc/94/17/25/569941725.db2.gz MCWSNSDEIZBAAM-UHFFFAOYSA-N 0 0 450.532 2.571 40 0 JFABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000224356256 569941806 /nfs/dbraw/zinc/94/18/06/569941806.db2.gz KSPYLEISEYLIIK-UHFFFAOYSA-N 0 0 487.622 2.502 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224365546 569942084 /nfs/dbraw/zinc/94/20/84/569942084.db2.gz WXRWGUKLMYUYPR-HXUWFJFHSA-N 0 0 463.575 2.844 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224365667 569942099 /nfs/dbraw/zinc/94/20/99/569942099.db2.gz OTQNJIKPJRHUSD-OAQYLSRUSA-N 0 0 463.575 2.844 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224374831 569942401 /nfs/dbraw/zinc/94/24/01/569942401.db2.gz VCTCWNNEJNOZIH-HXUWFJFHSA-N 0 0 467.538 2.674 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224381935 569942654 /nfs/dbraw/zinc/94/26/54/569942654.db2.gz FWVHTVQAURRIIA-OAQYLSRUSA-N 0 0 496.580 2.521 40 0 JFABRN COc1cccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 ZINC000224386257 569942817 /nfs/dbraw/zinc/94/28/17/569942817.db2.gz BMUYKYVTOHQPKM-NRFANRHFSA-N 0 0 460.596 2.865 40 0 JFABRN COc1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000224386384 569942830 /nfs/dbraw/zinc/94/28/30/569942830.db2.gz ZTZFLNPMBSJZHM-NRFANRHFSA-N 0 0 460.596 2.865 40 0 JFABRN Cc1cccc(CS(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000224387473 569942901 /nfs/dbraw/zinc/94/29/01/569942901.db2.gz UPGNQJHKZYZHDI-UHFFFAOYSA-N 0 0 452.598 2.668 40 0 JFABRN COc1ccccc1N(CCCC(=O)NCc1ccccc1CN1CCCC1=O)S(C)(=O)=O ZINC000224388574 569942911 /nfs/dbraw/zinc/94/29/11/569942911.db2.gz FROWQBWJLIUARP-UHFFFAOYSA-N 0 0 473.595 2.680 40 0 JFABRN C[C@@H](SCc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224431834 569944347 /nfs/dbraw/zinc/94/43/47/569944347.db2.gz MRYXMVXVELHQJC-GOSISDBHSA-N 0 0 464.609 2.524 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224463088 569945280 /nfs/dbraw/zinc/94/52/80/569945280.db2.gz COCQDNGAYRASHI-IBGZPJMESA-N 0 0 475.611 2.651 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224495632 569946279 /nfs/dbraw/zinc/94/62/79/569946279.db2.gz BTHSHIGYYHLUFS-IBGZPJMESA-N 0 0 477.602 2.824 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(OC)c(OC)c3)Oc3ccccc32)cc1 ZINC000224515230 569946951 /nfs/dbraw/zinc/94/69/51/569946951.db2.gz AIPFXVMRVVTIJQ-DEOSSOPVSA-N 0 0 498.557 2.985 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224531070 569947459 /nfs/dbraw/zinc/94/74/59/569947459.db2.gz ARDYQBQTKRUDAH-OAQYLSRUSA-N 0 0 479.574 2.544 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224540353 569947711 /nfs/dbraw/zinc/94/77/11/569947711.db2.gz LDRTWTIDUYYAIA-NRFANRHFSA-N 0 0 497.564 2.683 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCCO2 ZINC000224545633 569947856 /nfs/dbraw/zinc/94/78/56/569947856.db2.gz QFHJBLAOVZYUOQ-UHFFFAOYSA-N 0 0 473.551 2.770 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224548986 569948042 /nfs/dbraw/zinc/94/80/42/569948042.db2.gz YMAQXZXGJDHZRD-OAQYLSRUSA-N 0 0 496.029 2.913 40 0 JFABRN Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O ZINC000224549588 569948071 /nfs/dbraw/zinc/94/80/71/569948071.db2.gz SBQIAVJUKXTMTD-UHFFFAOYSA-N 0 0 466.003 2.563 40 0 JFABRN CC(C)(C)c1ccc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224561062 569948517 /nfs/dbraw/zinc/94/85/17/569948517.db2.gz MKHXLUZYYNNIMI-UHFFFAOYSA-N 0 0 473.639 2.899 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000224570144 569949000 /nfs/dbraw/zinc/94/90/00/569949000.db2.gz YUCWMMYMINNJAL-UHFFFAOYSA-N 0 0 489.613 2.516 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224578887 569949365 /nfs/dbraw/zinc/94/93/65/569949365.db2.gz RZCDBLQHLUMCCF-OAQYLSRUSA-N 0 0 497.564 2.683 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1F ZINC000224582111 569949494 /nfs/dbraw/zinc/94/94/94/569949494.db2.gz VJAIHYFSXPIMLO-UHFFFAOYSA-N 0 0 463.575 2.521 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)s1 ZINC000224604077 569950300 /nfs/dbraw/zinc/95/03/00/569950300.db2.gz COJBRJSQMLSEIH-UHFFFAOYSA-N 0 0 493.032 2.950 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224606002 569950413 /nfs/dbraw/zinc/95/04/13/569950413.db2.gz RPGQWUYKLGSDCA-QFIPXVFZSA-N 0 0 459.612 2.747 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224606082 569950419 /nfs/dbraw/zinc/95/04/19/569950419.db2.gz NZSFEUNLOFCZBH-JOCHJYFZSA-N 0 0 459.612 2.747 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224607785 569950470 /nfs/dbraw/zinc/95/04/70/569950470.db2.gz PDICNJUKBBBLAA-OAQYLSRUSA-N 0 0 489.638 2.837 40 0 JFABRN Cc1cc(C)cc(N(CCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)c1 ZINC000224622552 569951134 /nfs/dbraw/zinc/95/11/34/569951134.db2.gz RCRAZMXRIKRPMQ-UHFFFAOYSA-N 0 0 487.622 2.923 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224625309 569951355 /nfs/dbraw/zinc/95/13/55/569951355.db2.gz NJYRLGRVOOAORY-NRFANRHFSA-N 0 0 485.606 2.597 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224661752 569952628 /nfs/dbraw/zinc/95/26/28/569952628.db2.gz OEWFGEQXJWPBNR-QGZVFWFLSA-N 0 0 466.003 2.904 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224694854 569953830 /nfs/dbraw/zinc/95/38/30/569953830.db2.gz FZWYAYVPSLUAIP-DZFGPLHGSA-N 0 0 469.557 2.943 40 0 JFABRN COc1ccc(N(CCCC(=O)NCCOc2cccc(C)c2)S(C)(=O)=O)c(OC)c1 ZINC000224710341 569954417 /nfs/dbraw/zinc/95/44/17/569954417.db2.gz XFYSBSFZWIIDSI-UHFFFAOYSA-N 0 0 450.557 2.754 40 0 JFABRN CCOc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1OCC ZINC000224722234 569954795 /nfs/dbraw/zinc/95/47/95/569954795.db2.gz ISQJSMCCXNPZJB-INIZCTEOSA-N 0 0 450.557 2.991 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000224727970 569955019 /nfs/dbraw/zinc/95/50/19/569955019.db2.gz RUZJZYLOZVFANZ-UHFFFAOYSA-N 0 0 471.623 2.932 40 0 JFABRN COc1ccc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)cc1OC ZINC000224731578 569955176 /nfs/dbraw/zinc/95/51/76/569955176.db2.gz IGDMRQTZJZYNJR-UHFFFAOYSA-N 0 0 450.557 2.583 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000224737666 569955542 /nfs/dbraw/zinc/95/55/42/569955542.db2.gz NNRFLRLPVPHKRL-AREMUKBSSA-N 0 0 499.677 2.810 40 0 JFABRN CCc1ccc(N(CCCC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224748845 569955877 /nfs/dbraw/zinc/95/58/77/569955877.db2.gz KOMFVPZOKBPBOR-UHFFFAOYSA-N 0 0 473.639 2.944 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000224749118 569955948 /nfs/dbraw/zinc/95/59/48/569955948.db2.gz JKOSTEHSQGMWPX-UHFFFAOYSA-N 0 0 481.565 2.660 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224753791 569956087 /nfs/dbraw/zinc/95/60/87/569956087.db2.gz DYBBKJKUIJEKMP-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224763232 569956560 /nfs/dbraw/zinc/95/65/60/569956560.db2.gz ZRXJTMMSWHXLBA-KRWDZBQOSA-N 0 0 481.565 2.983 40 0 JFABRN COc1ccc(CNC(=O)CCCN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1OC ZINC000224764508 569956633 /nfs/dbraw/zinc/95/66/33/569956633.db2.gz GDAWQBIPNGDDIQ-UHFFFAOYSA-N 0 0 450.557 2.883 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224765883 569956667 /nfs/dbraw/zinc/95/66/67/569956667.db2.gz FPUSXIODQGPUSK-IBGZPJMESA-N 0 0 492.617 2.690 40 0 JFABRN COc1ccc(C(=O)N2CCN(C)CC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224794479 569957904 /nfs/dbraw/zinc/95/79/04/569957904.db2.gz LGZMRYCXZVWMRK-UHFFFAOYSA-N 0 0 451.976 2.557 40 0 JFABRN Cc1cc(C)cc(N(CCCC(=O)NCc2ccccc2CN2CCOCC2)S(C)(=O)=O)c1 ZINC000224820203 569959114 /nfs/dbraw/zinc/95/91/14/569959114.db2.gz VGXCODQYWCBORF-UHFFFAOYSA-N 0 0 473.639 2.998 40 0 JFABRN Cc1ccc(-c2nnc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)s2)cc1 ZINC000224823301 569959257 /nfs/dbraw/zinc/95/92/57/569959257.db2.gz KGJLPXNYKVNJDJ-UHFFFAOYSA-N 0 0 458.565 2.928 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224841906 569959918 /nfs/dbraw/zinc/95/99/18/569959918.db2.gz XXIMQENHQOXWQO-INIZCTEOSA-N 0 0 491.997 2.818 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224857312 569960492 /nfs/dbraw/zinc/96/04/92/569960492.db2.gz DIMBSUDNMVPDPP-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224859824 569960612 /nfs/dbraw/zinc/96/06/12/569960612.db2.gz IIXMVMHQQUHNRN-SFHVURJKSA-N 0 0 493.601 2.852 40 0 JFABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224902547 569962575 /nfs/dbraw/zinc/96/25/75/569962575.db2.gz NPYPGENECBIERE-ZRBLBEILSA-N 0 0 483.609 2.916 40 0 JFABRN C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1)C(=O)N1CCOCC1 ZINC000408594746 569965721 /nfs/dbraw/zinc/96/57/21/569965721.db2.gz OYMPVYVVHWOTCE-CQSZACIVSA-N 0 0 469.357 2.876 40 0 JFABRN CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000408594884 569965735 /nfs/dbraw/zinc/96/57/35/569965735.db2.gz PQNKEIOWANBPHM-HXUWFJFHSA-N 0 0 480.428 2.503 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000408594742 569965748 /nfs/dbraw/zinc/96/57/48/569965748.db2.gz QOYBZHGKFWQQAY-MRXNPFEDSA-N 0 0 476.551 2.838 40 0 JFABRN C[C@H](Oc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1)C(=O)N1CCOCC1 ZINC000408594745 569965753 /nfs/dbraw/zinc/96/57/53/569965753.db2.gz OYMPVYVVHWOTCE-AWEZNQCLSA-N 0 0 469.357 2.876 40 0 JFABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)cc1 ZINC000408595651 569966395 /nfs/dbraw/zinc/96/63/95/569966395.db2.gz SLZKHRIMRGJMRZ-UHFFFAOYSA-N 0 0 458.540 2.668 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000408595863 569966516 /nfs/dbraw/zinc/96/65/16/569966516.db2.gz VNJHZTFEOLQMHJ-UHFFFAOYSA-N 0 0 471.623 2.893 40 0 JFABRN CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000408596098 569966594 /nfs/dbraw/zinc/96/65/94/569966594.db2.gz ONQKIVYTZBXAOQ-UHFFFAOYSA-N 0 0 485.541 2.927 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCCCn1ccnc1 ZINC000408596995 569967158 /nfs/dbraw/zinc/96/71/58/569967158.db2.gz VMLINSPRDMVUJG-UHFFFAOYSA-N 0 0 474.970 2.873 40 0 JFABRN COCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000408597065 569967182 /nfs/dbraw/zinc/96/71/82/569967182.db2.gz WDVJWEBRYCLPET-UHFFFAOYSA-N 0 0 456.948 2.624 40 0 JFABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1 ZINC000408597184 569967332 /nfs/dbraw/zinc/96/73/32/569967332.db2.gz YEPOPHYZNRHQQD-MRXNPFEDSA-N 0 0 498.590 2.628 40 0 JFABRN C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)C(=O)N1CCOCC1 ZINC000408597355 569967357 /nfs/dbraw/zinc/96/73/57/569967357.db2.gz VBRLMKFMAGXWMD-AWEZNQCLSA-N 0 0 469.357 2.876 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224986430 569967398 /nfs/dbraw/zinc/96/73/98/569967398.db2.gz BOFWJQQSLCRUFM-RBUKOAKNSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224990956 569967744 /nfs/dbraw/zinc/96/77/44/569967744.db2.gz MPIJBRZXLLMNMR-RTBURBONSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224994031 569967932 /nfs/dbraw/zinc/96/79/32/569967932.db2.gz FQSWISVFCMAABW-VQTJNVASSA-N 0 0 474.627 2.631 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1C(=O)N1CCCCC1 ZINC000224996003 569967992 /nfs/dbraw/zinc/96/79/92/569967992.db2.gz SAHNGZOPFAAFGN-UHFFFAOYSA-N 0 0 459.568 2.959 40 0 JFABRN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000225003248 569968472 /nfs/dbraw/zinc/96/84/72/569968472.db2.gz HOMPWUOSAYRPTE-UHFFFAOYSA-N 0 0 461.559 2.843 40 0 JFABRN CSc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1C(=O)N1CCOCC1 ZINC000225002617 569968510 /nfs/dbraw/zinc/96/85/10/569968510.db2.gz SSJLNGKCVHQUSJ-UHFFFAOYSA-N 0 0 477.608 2.518 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 ZINC000225004116 569968608 /nfs/dbraw/zinc/96/86/08/569968608.db2.gz GOBFAXVJPWYXJQ-HUUCEWRRSA-N 0 0 466.556 2.753 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)c(F)c1 ZINC000225006238 569968716 /nfs/dbraw/zinc/96/87/16/569968716.db2.gz LRAVENVNFOBXFV-UHFFFAOYSA-N 0 0 455.502 2.999 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225005063 569968728 /nfs/dbraw/zinc/96/87/28/569968728.db2.gz JLLWLAFQIKFARG-QZTJIDSGSA-N 0 0 471.579 2.553 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000225009126 569969000 /nfs/dbraw/zinc/96/90/00/569969000.db2.gz QXPXCBXNFNTLNS-UHFFFAOYSA-N 0 0 457.474 2.947 40 0 JFABRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000408601296 569969021 /nfs/dbraw/zinc/96/90/21/569969021.db2.gz FFJPQNWSSLEGGC-SFHVURJKSA-N 0 0 463.575 2.876 40 0 JFABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(I)c1 ZINC000225014051 569969189 /nfs/dbraw/zinc/96/91/89/569969189.db2.gz TTXPOAULVUJDDB-UHFFFAOYSA-N 0 0 486.331 2.873 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000225018829 569969543 /nfs/dbraw/zinc/96/95/43/569969543.db2.gz HDANKQVHENDKDE-IBGZPJMESA-N 0 0 489.638 2.967 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225020317 569969644 /nfs/dbraw/zinc/96/96/44/569969644.db2.gz KORINLXLJBRUIK-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000408602897 569969628 /nfs/dbraw/zinc/96/96/28/569969628.db2.gz DDEFNZBMGVNGES-UHFFFAOYSA-N 0 0 487.500 2.876 40 0 JFABRN Cc1ccccc1N(CCCC(=O)NCc1ccccc1CN1CCOCC1)S(C)(=O)=O ZINC000225026431 569969972 /nfs/dbraw/zinc/96/99/72/569969972.db2.gz JGMZWGUAANOJKZ-UHFFFAOYSA-N 0 0 459.612 2.690 40 0 JFABRN Cn1c(=O)sc2cc(NC(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)ccc21 ZINC000225028618 569970144 /nfs/dbraw/zinc/97/01/44/569970144.db2.gz ICVPRCCGFUZDNO-UHFFFAOYSA-N 0 0 470.370 2.767 40 0 JFABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C)S(C)(=O)=O ZINC000225029329 569970206 /nfs/dbraw/zinc/97/02/06/569970206.db2.gz VTQQWWVLOQNQJD-UHFFFAOYSA-N 0 0 455.945 2.667 40 0 JFABRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000408606239 569971133 /nfs/dbraw/zinc/97/11/33/569971133.db2.gz OIJFQFZUVSXKMC-SFHVURJKSA-N 0 0 463.575 2.876 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225042002 569971311 /nfs/dbraw/zinc/97/13/11/569971311.db2.gz GPYDUNGEBSCEKV-CZAYHTPWSA-N 0 0 453.583 2.968 40 0 JFABRN CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000408606889 569971347 /nfs/dbraw/zinc/97/13/47/569971347.db2.gz PGPPUEZNZAQURD-CLNPQZTCSA-N 0 0 471.623 2.998 40 0 JFABRN COc1ccc(Cl)cc1N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(C)(=O)=O ZINC000408607621 569971590 /nfs/dbraw/zinc/97/15/90/569971590.db2.gz MYJQSGYHMMKWTA-RMKNXTFCSA-N 0 0 478.014 2.972 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225059620 569972490 /nfs/dbraw/zinc/97/24/90/569972490.db2.gz AVSLQXDOTZUECJ-QGZVFWFLSA-N 0 0 481.565 2.717 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225065859 569973027 /nfs/dbraw/zinc/97/30/27/569973027.db2.gz SPJQMEOCJUMTDP-IBGZPJMESA-N 0 0 485.606 2.597 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225081424 569973706 /nfs/dbraw/zinc/97/37/06/569973706.db2.gz MPTYMFXJGSYJQA-YUVXSKOASA-N 0 0 453.583 2.968 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225084909 569974018 /nfs/dbraw/zinc/97/40/18/569974018.db2.gz DWPOZYMPQSYYRA-RBUKOAKNSA-N 0 0 485.606 2.862 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225087948 569974147 /nfs/dbraw/zinc/97/41/47/569974147.db2.gz RNODRFKJOBBSJH-OAQYLSRUSA-N 0 0 463.575 2.925 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225087993 569974187 /nfs/dbraw/zinc/97/41/87/569974187.db2.gz RNODRFKJOBBSJH-NRFANRHFSA-N 0 0 463.575 2.925 40 0 JFABRN C[C@@H](C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225088970 569974295 /nfs/dbraw/zinc/97/42/95/569974295.db2.gz GSUYXAVOXZKZFW-HOCLYGCPSA-N 0 0 481.521 2.667 40 0 JFABRN Cc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCn3ccnc3)CC2=O)cc1 ZINC000408614967 569974360 /nfs/dbraw/zinc/97/43/60/569974360.db2.gz KGPDRVBCZHMLIA-FQEVSTJZSA-N 0 0 475.549 2.768 40 0 JFABRN CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)cc2)C1 ZINC000408615277 569974508 /nfs/dbraw/zinc/97/45/08/569974508.db2.gz OICOVELWNWOKBX-CQSZACIVSA-N 0 0 460.328 2.874 40 0 JFABRN CCc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCOC)CC3=O)cc2)cc1 ZINC000408615299 569974550 /nfs/dbraw/zinc/97/45/50/569974550.db2.gz ONCVWFLEDAVETD-LJQANCHMSA-N 0 0 453.539 2.772 40 0 JFABRN COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)C1 ZINC000408615340 569974699 /nfs/dbraw/zinc/97/46/99/569974699.db2.gz PEGUSHRPYGDLKV-IBGZPJMESA-N 0 0 453.539 2.827 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCc1ccc(Cl)cc1 ZINC000225095851 569974786 /nfs/dbraw/zinc/97/47/86/569974786.db2.gz OIMGXUZMXPIVDZ-UHFFFAOYSA-N 0 0 466.987 2.661 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225097873 569974996 /nfs/dbraw/zinc/97/49/96/569974996.db2.gz AFLWLCCTLILFHO-HXUWFJFHSA-N 0 0 471.579 2.555 40 0 JFABRN COc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccco4)CC3=O)cc2)cc1 ZINC000408616064 569975221 /nfs/dbraw/zinc/97/52/21/569975221.db2.gz VJVNHTKWGSBKIS-KRWDZBQOSA-N 0 0 463.490 2.975 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)cc1Cl ZINC000408616396 569975468 /nfs/dbraw/zinc/97/54/68/569975468.db2.gz YNUUCXVKHGEFNA-HZPDHXFCSA-N 0 0 459.930 2.516 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)COc1ccccc1C ZINC000225111704 569975601 /nfs/dbraw/zinc/97/56/01/569975601.db2.gz ANKQONOQAUPFNB-IBGZPJMESA-N 0 0 476.595 2.541 40 0 JFABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H](C)O)CC2=O)cc1 ZINC000408616471 569975625 /nfs/dbraw/zinc/97/56/25/569975625.db2.gz ZCFYHXSWAIAEIR-GOEBONIOSA-N 0 0 459.930 2.516 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1 ZINC000408616849 569975798 /nfs/dbraw/zinc/97/57/98/569975798.db2.gz CIVNIYVLKRKXTB-UHFFFAOYSA-N 0 0 463.556 2.637 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225126080 569976560 /nfs/dbraw/zinc/97/65/60/569976560.db2.gz VXPKLXUMBMJYAB-BHIFYINESA-N 0 0 453.583 2.970 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000225145300 569977753 /nfs/dbraw/zinc/97/77/53/569977753.db2.gz XXVZDLXMBGSWIX-UHFFFAOYSA-N 0 0 468.579 2.914 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccc(C)cc1 ZINC000408621464 569978275 /nfs/dbraw/zinc/97/82/75/569978275.db2.gz NEMQLYMYJVCEHU-UHFFFAOYSA-N 0 0 456.568 2.910 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225151482 569978375 /nfs/dbraw/zinc/97/83/75/569978375.db2.gz BHZNGSCNDGFJES-HOTGVXAUSA-N 0 0 491.997 2.817 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)c1 ZINC000408621819 569978499 /nfs/dbraw/zinc/97/84/99/569978499.db2.gz PBAXDVZNVNRVAP-UHFFFAOYSA-N 0 0 458.920 2.779 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C2CCCCC2)cc1 ZINC000408622436 569978867 /nfs/dbraw/zinc/97/88/67/569978867.db2.gz OLDAJMPYKODNQO-UHFFFAOYSA-N 0 0 495.623 2.695 40 0 JFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)CC1 ZINC000408623314 569979202 /nfs/dbraw/zinc/97/92/02/569979202.db2.gz QAXBDJXQTKXHLI-UHFFFAOYSA-N 0 0 453.967 2.898 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000408624529 569979718 /nfs/dbraw/zinc/97/97/18/569979718.db2.gz QPYLDQGJDXXCQE-UHFFFAOYSA-N 0 0 450.513 2.512 40 0 JFABRN O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCCCN1CCOCC1 ZINC000408625014 569979974 /nfs/dbraw/zinc/97/99/74/569979974.db2.gz VDHWGONIOWZPDY-UHFFFAOYSA-N 0 0 483.993 2.509 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)Cc2ccccc2Cl)cc1 ZINC000408624912 569979985 /nfs/dbraw/zinc/97/99/85/569979985.db2.gz ULDPXPRHJNRZBL-UHFFFAOYSA-N 0 0 480.030 2.678 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000408625539 569980205 /nfs/dbraw/zinc/98/02/05/569980205.db2.gz VMGUOPLDZZRZPP-UHFFFAOYSA-N 0 0 459.465 2.959 40 0 JFABRN Cn1c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2n(C)c1=O ZINC000408625458 569980213 /nfs/dbraw/zinc/98/02/13/569980213.db2.gz VFZQKBMGJHHRDL-UHFFFAOYSA-N 0 0 457.339 2.589 40 0 JFABRN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c(C)c1 ZINC000408625595 569980322 /nfs/dbraw/zinc/98/03/22/569980322.db2.gz VQLMFXOVLLFOBS-GOSISDBHSA-N 0 0 459.568 2.617 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225178261 569980482 /nfs/dbraw/zinc/98/04/82/569980482.db2.gz NCJLXVCOBZBCBA-SFHVURJKSA-N 0 0 463.575 2.925 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000408626845 569980825 /nfs/dbraw/zinc/98/08/25/569980825.db2.gz XUTCQYPSIPOTMY-UHFFFAOYSA-N 0 0 483.974 2.520 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225184736 569980907 /nfs/dbraw/zinc/98/09/07/569980907.db2.gz QLAQDQMUMBWOBD-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1cccc(Br)c1 ZINC000408627008 569980950 /nfs/dbraw/zinc/98/09/50/569980950.db2.gz XGSDKVAYTNPYHE-UHFFFAOYSA-N 0 0 469.357 2.796 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408627954 569981294 /nfs/dbraw/zinc/98/12/94/569981294.db2.gz RWSFOCSXDCLCRA-UHFFFAOYSA-N 0 0 468.915 2.626 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225189173 569981325 /nfs/dbraw/zinc/98/13/25/569981325.db2.gz URTGFMAITIBNAF-OAQYLSRUSA-N 0 0 485.606 2.863 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000408628118 569981402 /nfs/dbraw/zinc/98/14/02/569981402.db2.gz UMBGNLDKSCOPBB-OAHLLOKOSA-N 0 0 483.949 2.793 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCOc1ccc(F)cc1 ZINC000225191348 569981431 /nfs/dbraw/zinc/98/14/31/569981431.db2.gz IVGHREAKPCAQOT-UHFFFAOYSA-N 0 0 450.532 2.747 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccc(Cl)cc2)cc1OC ZINC000408629450 569981630 /nfs/dbraw/zinc/98/16/30/569981630.db2.gz BKDREIQXOJXCQW-UHFFFAOYSA-N 0 0 492.985 2.956 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408629624 569981714 /nfs/dbraw/zinc/98/17/14/569981714.db2.gz FHYKDOCOFDHQQZ-HNNXBMFYSA-N 0 0 462.524 2.670 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000408630428 569982237 /nfs/dbraw/zinc/98/22/37/569982237.db2.gz UKWJBBKUNPPDHN-UHFFFAOYSA-N 0 0 473.551 2.836 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000225201812 569982221 /nfs/dbraw/zinc/98/22/21/569982221.db2.gz XCTQDOGCTMVOEP-GOSISDBHSA-N 0 0 459.612 2.913 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225208095 569982510 /nfs/dbraw/zinc/98/25/10/569982510.db2.gz QOCKCBCFKXSYAT-GOSISDBHSA-N 0 0 453.564 2.624 40 0 JFABRN CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000225209065 569982569 /nfs/dbraw/zinc/98/25/69/569982569.db2.gz KSXFNZVAKGWKGR-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000225223999 569983776 /nfs/dbraw/zinc/98/37/76/569983776.db2.gz FHJHNMJGINAPFM-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000225252363 569986015 /nfs/dbraw/zinc/98/60/15/569986015.db2.gz YEAXUXXQFUGCSQ-HXOBKFHXSA-N 0 0 466.515 2.599 40 0 JFABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)Oc3ccccc32)cc1 ZINC000225252454 569986041 /nfs/dbraw/zinc/98/60/41/569986041.db2.gz BAMMIWQOORMMBZ-KOSHJBKYSA-N 0 0 480.542 2.908 40 0 JFABRN CCOc1ccc(-c2noc(CN(C)C(=O)CN(Cc3ccc(C)cc3)S(C)(=O)=O)n2)cc1 ZINC000225260422 569986482 /nfs/dbraw/zinc/98/64/82/569986482.db2.gz YRHOCDQDWYETSE-UHFFFAOYSA-N 0 0 472.567 2.864 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000225282124 569988086 /nfs/dbraw/zinc/98/80/86/569988086.db2.gz HSNRVTSNFOBCON-IBGZPJMESA-N 0 0 474.579 2.759 40 0 JFABRN O=C(NCC1(c2ccccc2)CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000225346751 569991967 /nfs/dbraw/zinc/99/19/67/569991967.db2.gz RBXKDKXQCYOANV-UHFFFAOYSA-N 0 0 478.998 2.839 40 0 JFABRN CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)c1 ZINC000408650784 569993972 /nfs/dbraw/zinc/99/39/72/569993972.db2.gz BYIJGTDJHFQYQW-CQSZACIVSA-N 0 0 492.315 2.871 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000225388048 569994459 /nfs/dbraw/zinc/99/44/59/569994459.db2.gz CMTPRJROGSYDJT-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000225388746 569994463 /nfs/dbraw/zinc/99/44/63/569994463.db2.gz DZWRZJVEDJJHCY-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000225389508 569994590 /nfs/dbraw/zinc/99/45/90/569994590.db2.gz HDPUNLZHDUUBJI-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000225391547 569994659 /nfs/dbraw/zinc/99/46/59/569994659.db2.gz XUZOTLZBKUVWKJ-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NC[C@H]1CCCO1 ZINC000408652817 569995151 /nfs/dbraw/zinc/99/51/51/569995151.db2.gz IJQNJUPRKRPANX-YPHAPOECSA-N 0 0 485.367 2.875 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1)Nc1cccc(Cl)c1 ZINC000408653073 569995245 /nfs/dbraw/zinc/99/52/45/569995245.db2.gz HRRIDISDAQAGAI-CYBMUJFWSA-N 0 0 494.729 2.778 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)Nc1cccc(Cl)c1 ZINC000408653134 569995408 /nfs/dbraw/zinc/99/54/08/569995408.db2.gz IDWFDUNAZHHDBN-LBPRGKRZSA-N 0 0 450.278 2.669 40 0 JFABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1C ZINC000408653504 569995520 /nfs/dbraw/zinc/99/55/20/569995520.db2.gz IEUXUXBILZKTRR-MRXNPFEDSA-N 0 0 488.338 2.741 40 0 JFABRN CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1 ZINC000408653598 569995536 /nfs/dbraw/zinc/99/55/36/569995536.db2.gz ITSRGDWGCPBCGY-CQSZACIVSA-N 0 0 492.315 2.871 40 0 JFABRN COc1ccc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1Cl ZINC000225412462 569995595 /nfs/dbraw/zinc/99/55/95/569995595.db2.gz ANUKRHBRNYJWOO-UHFFFAOYSA-N 0 0 468.959 2.949 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225414977 569995661 /nfs/dbraw/zinc/99/56/61/569995661.db2.gz STLKIGJVDSNTCA-BDTNDASRSA-N 0 0 469.582 2.670 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)Nc1ccc(Br)cc1 ZINC000408654050 569995958 /nfs/dbraw/zinc/99/59/58/569995958.db2.gz JGSNRIZQDQRNSM-ZDUSSCGKSA-N 0 0 494.729 2.778 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000225423820 569996210 /nfs/dbraw/zinc/99/62/10/569996210.db2.gz BUKHJEVTIDQRJS-HNNXBMFYSA-N 0 0 469.966 2.717 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)on2)C3=O)cc1 ZINC000408654956 569996514 /nfs/dbraw/zinc/99/65/14/569996514.db2.gz CCZKABPCMQPCRP-UHFFFAOYSA-N 0 0 462.418 2.538 40 0 JFABRN CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 ZINC000408655123 569996672 /nfs/dbraw/zinc/99/66/72/569996672.db2.gz HKBHLSSHPRVTCF-UHFFFAOYSA-N 0 0 452.463 2.948 40 0 JFABRN CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 ZINC000408655220 569996674 /nfs/dbraw/zinc/99/66/74/569996674.db2.gz LPYSHEGVXGVNOT-LJQANCHMSA-N 0 0 466.490 2.989 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000225436593 569996709 /nfs/dbraw/zinc/99/67/09/569996709.db2.gz RLFUQZBKENYWQD-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225433747 569996730 /nfs/dbraw/zinc/99/67/30/569996730.db2.gz RSFRITXUZQIFHC-VQTJNVASSA-N 0 0 489.638 2.836 40 0 JFABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225441901 569997070 /nfs/dbraw/zinc/99/70/70/569997070.db2.gz KOPKUOVXDVSGPN-QHCPKHFHSA-N 0 0 488.654 2.676 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225451142 569997447 /nfs/dbraw/zinc/99/74/47/569997447.db2.gz IYFZFPJUQBWPPN-OALUTQOASA-N 0 0 485.606 2.596 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225451032 569997465 /nfs/dbraw/zinc/99/74/65/569997465.db2.gz IYFZFPJUQBWPPN-RTBURBONSA-N 0 0 485.606 2.596 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1 ZINC000408656318 569997615 /nfs/dbraw/zinc/99/76/15/569997615.db2.gz NHNWSDOGBJJFTG-OAHLLOKOSA-N 0 0 463.412 2.689 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 ZINC000225462041 569997812 /nfs/dbraw/zinc/99/78/12/569997812.db2.gz AOLCDOXMBKOMSY-KRWDZBQOSA-N 0 0 492.594 2.543 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1 ZINC000408657858 569998542 /nfs/dbraw/zinc/99/85/42/569998542.db2.gz PMYARQIOFWKZNZ-AWEZNQCLSA-N 0 0 464.305 2.977 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)cc1 ZINC000225475142 569998578 /nfs/dbraw/zinc/99/85/78/569998578.db2.gz KYSJWMWHHKLJHW-UHFFFAOYSA-N 0 0 470.551 2.805 40 0 JFABRN COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)c1 ZINC000408658257 569998817 /nfs/dbraw/zinc/99/88/17/569998817.db2.gz QKTTXIPJWGKDIO-QGZVFWFLSA-N 0 0 467.522 2.668 40 0 JFABRN COc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)c1 ZINC000225483307 569998962 /nfs/dbraw/zinc/99/89/62/569998962.db2.gz BGMNGBXMULCFHD-UHFFFAOYSA-N 0 0 470.551 2.771 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1F)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C ZINC000225483912 569999057 /nfs/dbraw/zinc/99/90/57/569999057.db2.gz GNEZJEFDZMVNSU-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000225488435 569999353 /nfs/dbraw/zinc/99/93/53/569999353.db2.gz UFMIPGMJALHTAL-KRWDZBQOSA-N 0 0 474.535 2.938 40 0 JFABRN O=C(NCc1ccc(CN2CCCC2=O)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000225490120 569999406 /nfs/dbraw/zinc/99/94/06/569999406.db2.gz ZFNVVTRKLNSZMX-UHFFFAOYSA-N 0 0 473.570 2.665 40 0 JFABRN COc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000225494520 569999712 /nfs/dbraw/zinc/99/97/12/569999712.db2.gz ZNXUDTMAJJCMHH-KRWDZBQOSA-N 0 0 462.568 2.688 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)Nc1ccc(Cl)cc1 ZINC000408659984 569999875 /nfs/dbraw/zinc/99/98/75/569999875.db2.gz UFUWORONQQOMFL-ZDUSSCGKSA-N 0 0 450.278 2.669 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 ZINC000408660036 570000034 /nfs/dbraw/zinc/00/00/34/570000034.db2.gz UJWFKWRGSDKFIH-OAHLLOKOSA-N 0 0 463.412 2.689 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3CN3CCCC3=O)CC2)cc1 ZINC000225499647 570000222 /nfs/dbraw/zinc/00/02/22/570000222.db2.gz WFTVMMAOALZEID-UHFFFAOYSA-N 0 0 485.606 2.535 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 ZINC000408660337 570000247 /nfs/dbraw/zinc/00/02/47/570000247.db2.gz NTSZURBHRQSWFB-KRWDZBQOSA-N 0 0 454.479 2.797 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000225502113 570000354 /nfs/dbraw/zinc/00/03/54/570000354.db2.gz VPQVIKAGJVCUFI-UHFFFAOYSA-N 0 0 470.551 2.771 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000225506410 570000740 /nfs/dbraw/zinc/00/07/40/570000740.db2.gz OCIKFNPJMNZEEJ-IBGZPJMESA-N 0 0 487.622 2.906 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225508376 570000875 /nfs/dbraw/zinc/00/08/75/570000875.db2.gz HWGCGWHLJPOFHH-GHTZIAJQSA-N 0 0 485.606 2.862 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225507093 570000897 /nfs/dbraw/zinc/00/08/97/570000897.db2.gz OHQXXAOSNSKKCJ-FQEVSTJZSA-N 0 0 474.627 2.550 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 ZINC000408662674 570001882 /nfs/dbraw/zinc/00/18/82/570001882.db2.gz PEEANPLBWTWRIC-OALUTQOASA-N 0 0 464.474 2.955 40 0 JFABRN COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(C(=O)OCC(C)C)cc3)cc2C1=O ZINC000408662959 570002035 /nfs/dbraw/zinc/00/20/35/570002035.db2.gz OJJRILWXHUFGDM-UHFFFAOYSA-N 0 0 496.516 2.927 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000408663483 570002417 /nfs/dbraw/zinc/00/24/17/570002417.db2.gz PTRSOXIWBPVSLV-PMACEKPBSA-N 0 0 462.458 2.724 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225525686 570002492 /nfs/dbraw/zinc/00/24/92/570002492.db2.gz WXCJCCASBKTDJT-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225530808 570002958 /nfs/dbraw/zinc/00/29/58/570002958.db2.gz FCCITMIHZLVIOL-IBGZPJMESA-N 0 0 492.617 2.689 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000225533382 570003322 /nfs/dbraw/zinc/00/33/22/570003322.db2.gz XCYRTOMMLXDZSZ-HNNXBMFYSA-N 0 0 482.002 2.784 40 0 JFABRN Cc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)cc1 ZINC000225541614 570004092 /nfs/dbraw/zinc/00/40/92/570004092.db2.gz XNPXMZSMNZDDFG-KRWDZBQOSA-N 0 0 458.515 2.901 40 0 JFABRN COc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)cc1 ZINC000225541781 570004108 /nfs/dbraw/zinc/00/41/08/570004108.db2.gz XREPXRYIZNJODR-MRXNPFEDSA-N 0 0 474.514 2.601 40 0 JFABRN COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)c1 ZINC000408667425 570005339 /nfs/dbraw/zinc/00/53/39/570005339.db2.gz TZDKYLKEVQWBRF-ZDUSSCGKSA-N 0 0 462.886 2.901 40 0 JFABRN COc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000225559863 570005747 /nfs/dbraw/zinc/00/57/47/570005747.db2.gz KRZZZJLHMHRHMI-QGZVFWFLSA-N 0 0 478.567 2.596 40 0 JFABRN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CCCC2 ZINC000225559634 570005748 /nfs/dbraw/zinc/00/57/48/570005748.db2.gz WVRMQSRCANKPHW-UHFFFAOYSA-N 0 0 464.565 2.687 40 0 JFABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225565679 570006203 /nfs/dbraw/zinc/00/62/03/570006203.db2.gz NRZVIWLEWMBDRX-UHFFFAOYSA-N 0 0 464.931 2.823 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)c1 ZINC000225572763 570006716 /nfs/dbraw/zinc/00/67/16/570006716.db2.gz FYAPRRDLKILVEB-UHFFFAOYSA-N 0 0 456.524 2.802 40 0 JFABRN Cc1ccc(-c2nnc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)s2)cc1 ZINC000225579738 570007087 /nfs/dbraw/zinc/00/70/87/570007087.db2.gz DGHYQYQSJBTDRH-UHFFFAOYSA-N 0 0 457.581 2.702 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225584051 570007571 /nfs/dbraw/zinc/00/75/71/570007571.db2.gz VKMGMPZBNFJXMZ-INIZCTEOSA-N 0 0 467.538 2.673 40 0 JFABRN COc1ccc(-c2noc(CNC(=O)CCCN(c3ccccc3OC)S(C)(=O)=O)n2)cc1 ZINC000225591767 570008321 /nfs/dbraw/zinc/00/83/21/570008321.db2.gz KDYALOPRPKJPST-UHFFFAOYSA-N 0 0 474.539 2.616 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000408672868 570008434 /nfs/dbraw/zinc/00/84/34/570008434.db2.gz XSBRRAGEPYZGJC-AWEZNQCLSA-N 0 0 474.311 2.942 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000225600582 570008679 /nfs/dbraw/zinc/00/86/79/570008679.db2.gz NXQURPUDCJGWMR-UHFFFAOYSA-N 0 0 460.596 2.743 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCSc1ccc(C)cc1 ZINC000225605547 570008861 /nfs/dbraw/zinc/00/88/61/570008861.db2.gz QCHXLJFEOJLRIR-UHFFFAOYSA-N 0 0 478.636 2.866 40 0 JFABRN Cc1ccc(NC(=O)Cc2cccc(Br)c2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000225622595 570010383 /nfs/dbraw/zinc/01/03/83/570010383.db2.gz VDBJCCYJDSDLBD-UHFFFAOYSA-N 0 0 466.401 2.875 40 0 JFABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C)CC1 ZINC000408676904 570010761 /nfs/dbraw/zinc/01/07/61/570010761.db2.gz OTMYENZRPGKVCW-UHFFFAOYSA-N 0 0 451.976 2.992 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000225641741 570011664 /nfs/dbraw/zinc/01/16/64/570011664.db2.gz CPQZPEQCEHTBKT-UHFFFAOYSA-N 0 0 496.589 2.842 40 0 JFABRN O=C(Nc1nnc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1)c1ccc(Cl)cc1 ZINC000225651006 570012389 /nfs/dbraw/zinc/01/23/89/570012389.db2.gz DFWMKQSSJYSFJN-UHFFFAOYSA-N 0 0 477.999 2.950 40 0 JFABRN COc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225663450 570013304 /nfs/dbraw/zinc/01/33/04/570013304.db2.gz QNFHJZUENMCNQG-KRWDZBQOSA-N 0 0 496.029 2.911 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225672198 570013767 /nfs/dbraw/zinc/01/37/67/570013767.db2.gz SHOJFDKGAQUFMJ-KRWDZBQOSA-N 0 0 479.574 2.542 40 0 JFABRN COc1ccccc1N(CCCC(=O)NCc1ccc(CN2CCCC2=O)cc1)S(C)(=O)=O ZINC000225677509 570014130 /nfs/dbraw/zinc/01/41/30/570014130.db2.gz ZOVXDKHDJLHBFI-UHFFFAOYSA-N 0 0 473.595 2.680 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225685094 570014532 /nfs/dbraw/zinc/01/45/32/570014532.db2.gz IELOKRCJXXKTCN-QGZVFWFLSA-N 0 0 481.565 2.920 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000225684826 570014549 /nfs/dbraw/zinc/01/45/49/570014549.db2.gz ABCHFGGVIYPAHM-SFHVURJKSA-N 0 0 493.601 2.790 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225689360 570014765 /nfs/dbraw/zinc/01/47/65/570014765.db2.gz DJMRTFIZXUMDPS-RLLQIKCJSA-N 0 0 457.546 2.656 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225706639 570016249 /nfs/dbraw/zinc/01/62/49/570016249.db2.gz ZGCNZJCLGLGYFQ-JOCHJYFZSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225709738 570016522 /nfs/dbraw/zinc/01/65/22/570016522.db2.gz OXDKBWMJSZDCSY-FQEVSTJZSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000225710767 570016576 /nfs/dbraw/zinc/01/65/76/570016576.db2.gz PJIOVDHQWIQKRY-QHCPKHFHSA-N 0 0 487.622 2.987 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225710075 570016595 /nfs/dbraw/zinc/01/65/95/570016595.db2.gz PBIHBYSCQCCBPG-OAQYLSRUSA-N 0 0 463.575 2.924 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000225715666 570016954 /nfs/dbraw/zinc/01/69/54/570016954.db2.gz WBBNEYHUQIKUFH-OAQYLSRUSA-N 0 0 492.617 2.771 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000408695528 570017951 /nfs/dbraw/zinc/01/79/51/570017951.db2.gz VWLKZDBEKMQOIW-UHFFFAOYSA-N 0 0 467.975 2.901 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1NC(=O)CC ZINC000408698055 570019686 /nfs/dbraw/zinc/01/96/86/570019686.db2.gz NDHGFWUMLDIWOS-UHFFFAOYSA-N 0 0 475.567 2.669 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000225762490 570020622 /nfs/dbraw/zinc/02/06/22/570020622.db2.gz OWSZMYDAZUVHNZ-UHFFFAOYSA-N 0 0 464.931 2.678 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)CC1 ZINC000408701068 570021536 /nfs/dbraw/zinc/02/15/36/570021536.db2.gz QUGSIHDAGSYBDP-LJQANCHMSA-N 0 0 481.615 2.520 40 0 JFABRN COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C ZINC000408701204 570021689 /nfs/dbraw/zinc/02/16/89/570021689.db2.gz UFKRAWLDWOYQNK-UHFFFAOYSA-N 0 0 452.916 2.708 40 0 JFABRN CCSc1nnc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)s1 ZINC000225791039 570021830 /nfs/dbraw/zinc/02/18/30/570021830.db2.gz SNJDOAUGPKYECM-UHFFFAOYSA-N 0 0 451.393 2.817 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccccc2C)no1 ZINC000225793258 570021943 /nfs/dbraw/zinc/02/19/43/570021943.db2.gz WYHJWZZZAWXURU-LJQANCHMSA-N 0 0 458.540 2.915 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000408702018 570022304 /nfs/dbraw/zinc/02/23/04/570022304.db2.gz JLXPLAABNVGFMI-UHFFFAOYSA-N 0 0 456.568 2.858 40 0 JFABRN CCN(c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408703269 570023150 /nfs/dbraw/zinc/02/31/50/570023150.db2.gz QKVGXFKHBWTNIQ-UHFFFAOYSA-N 0 0 461.609 2.961 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000408703158 570023161 /nfs/dbraw/zinc/02/31/61/570023161.db2.gz PGGJOWFVAXPTHN-UHFFFAOYSA-N 0 0 493.607 2.517 40 0 JFABRN COc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000225828022 570023758 /nfs/dbraw/zinc/02/37/58/570023758.db2.gz ZWVJBQDLOASKKS-QGZVFWFLSA-N 0 0 450.557 2.834 40 0 JFABRN C[C@@H](C(=O)NCCSCc1ccccc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704486 570024000 /nfs/dbraw/zinc/02/40/00/570024000.db2.gz OFKGVFYHQXRNDE-INIZCTEOSA-N 0 0 450.582 2.662 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2cccc(OC(C)C)c2)cc1OC ZINC000225842088 570024321 /nfs/dbraw/zinc/02/43/21/570024321.db2.gz GKJLVDHEHCVMDL-UHFFFAOYSA-N 0 0 464.584 2.861 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000225849152 570024661 /nfs/dbraw/zinc/02/46/61/570024661.db2.gz MHXYBNUMGXHOMZ-UHFFFAOYSA-N 0 0 488.031 2.771 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)c1 ZINC000225851687 570024820 /nfs/dbraw/zinc/02/48/20/570024820.db2.gz VYRQBCUJXIRWQA-UHFFFAOYSA-N 0 0 467.594 2.766 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)c1ccc2c(c1)OCO2 ZINC000408705947 570024989 /nfs/dbraw/zinc/02/49/89/570024989.db2.gz QXILUFALVHZGCU-UHFFFAOYSA-N 0 0 496.545 2.535 40 0 JFABRN CCCN1c2ccc(C(=O)N3C[C@@H](C(=O)OC)Oc4ccccc43)cc2S(=O)(=O)N=C1C ZINC000225866010 570025633 /nfs/dbraw/zinc/02/56/33/570025633.db2.gz WETVWCABVXQSRA-IBGZPJMESA-N 0 0 457.508 2.605 40 0 JFABRN O=C(CCN1C(=O)c2ccccc2C1=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000225874956 570025973 /nfs/dbraw/zinc/02/59/73/570025973.db2.gz OTDWUCJBUXQWQJ-DEOSSOPVSA-N 0 0 483.524 2.826 40 0 JFABRN Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCCNc1ccnc2cc(Cl)ccc21 ZINC000225880218 570026248 /nfs/dbraw/zinc/02/62/48/570026248.db2.gz PYBVFHMFSLGAIM-UHFFFAOYSA-N 0 0 453.977 2.891 40 0 JFABRN CC(C)(C)NC(=S)Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225894747 570026452 /nfs/dbraw/zinc/02/64/52/570026452.db2.gz PICAALWIZQNYSG-UHFFFAOYSA-N 0 0 455.632 2.725 40 0 JFABRN C[C@H]1CCCCN1c1cc(N2CCCCCC2)nc(NC(=S)NCCN2CCOCC2)n1 ZINC000225904526 570026805 /nfs/dbraw/zinc/02/68/05/570026805.db2.gz GZODXBYYUBYODZ-IBGZPJMESA-N 0 0 461.680 2.854 40 0 JFABRN C[C@@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225904356 570026830 /nfs/dbraw/zinc/02/68/30/570026830.db2.gz WIVGWGBWSKVQEG-LJQANCHMSA-N 0 0 461.680 2.712 40 0 JFABRN S=C(NC[C@H]1CCCO1)Nc1nc(Sc2ncccn2)cc(Sc2ncccn2)n1 ZINC000225909327 570027151 /nfs/dbraw/zinc/02/71/51/570027151.db2.gz WFRIKMRGTPPMDH-GFCCVEGCSA-N 0 0 458.598 2.824 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1ccc(=O)c2cc(Br)ccc21 ZINC000225919573 570027511 /nfs/dbraw/zinc/02/75/11/570027511.db2.gz MGYDHSODGNOPRT-UHFFFAOYSA-N 0 0 478.368 2.961 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c2ccccc2O1 ZINC000225920350 570027729 /nfs/dbraw/zinc/02/77/29/570027729.db2.gz WEWZHXIJWJHLOC-WIYYLYMNSA-N 0 0 472.563 2.671 40 0 JFABRN Cc1nc(SCCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2C)n[nH]1 ZINC000225935546 570028433 /nfs/dbraw/zinc/02/84/33/570028433.db2.gz HKHOPISKVYJZPR-UHFFFAOYSA-N 0 0 473.624 2.829 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3)sc2=N[C@@H]1c1ccc(O)c(OC)c1 ZINC000408729594 570028715 /nfs/dbraw/zinc/02/87/15/570028715.db2.gz CQPDKIJVTBYAGS-JAORQVBISA-N 0 0 450.516 2.621 40 0 JFABRN CCOC(=O)COc1ccc(NC(=O)[C@@]2(C)CCCN(c3ccc(OC)cc3)S2(=O)=O)cc1 ZINC000225951974 570029480 /nfs/dbraw/zinc/02/94/80/570029480.db2.gz WMIHCJCTXFUEIE-HSZRJFAPSA-N 0 0 476.551 2.965 40 0 JFABRN CCOC(=O)C1(c2ccc(NC(=O)C[C@H](NS(C)(=O)=O)c3ccc(OC)cc3)cc2)CC1 ZINC000225953765 570029625 /nfs/dbraw/zinc/02/96/25/570029625.db2.gz HIIBXQAZICHMPP-FQEVSTJZSA-N 0 0 460.552 2.909 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3O)sc2=N[C@@H]1c1ccc(OC)cc1 ZINC000408732916 570029640 /nfs/dbraw/zinc/02/96/40/570029640.db2.gz UNAFDQJBVYRFDU-CNSVBDKNSA-N 0 0 450.516 2.621 40 0 JFABRN COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)cc1C(=O)N(C)C ZINC000225958269 570029793 /nfs/dbraw/zinc/02/97/93/570029793.db2.gz ZOGPGUFRPSZTDD-UHFFFAOYSA-N 0 0 453.948 2.746 40 0 JFABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)OCc2ccccc2)cc1 ZINC000408738561 570031196 /nfs/dbraw/zinc/03/11/96/570031196.db2.gz SHOCOKZEQXTJFZ-QHCPKHFHSA-N 0 0 466.559 2.744 40 0 JFABRN Cc1nc(SCCNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000226003169 570031993 /nfs/dbraw/zinc/03/19/93/570031993.db2.gz XYZGGCRMZPEDQX-UHFFFAOYSA-N 0 0 494.042 2.908 40 0 JFABRN CC1CCN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)CC1 ZINC000226014617 570032884 /nfs/dbraw/zinc/03/28/84/570032884.db2.gz OKEZLDZAVXAMBM-UHFFFAOYSA-N 0 0 484.626 2.807 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000226020989 570033201 /nfs/dbraw/zinc/03/32/01/570033201.db2.gz ZVIBRIJHALZZBK-UHFFFAOYSA-N 0 0 469.357 2.814 40 0 JFABRN CN(CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000226021021 570033246 /nfs/dbraw/zinc/03/32/46/570033246.db2.gz WDPWBOFLFITNPN-UHFFFAOYSA-N 0 0 494.411 2.873 40 0 JFABRN CN(CC(=O)NCCSc1n[nH]c(-c2ccccc2)n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000226020329 570033267 /nfs/dbraw/zinc/03/32/67/570033267.db2.gz SRCXREXTZDVOJT-UHFFFAOYSA-N 0 0 465.988 2.654 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc[nH]n2)Cc2ccccc2Cl)cc1 ZINC000226030764 570033500 /nfs/dbraw/zinc/03/35/00/570033500.db2.gz YDSFXJFJDLSQND-UHFFFAOYSA-N 0 0 480.015 2.866 40 0 JFABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCSc2nc[nH]n2)C2CCCCC2)c(C)c1 ZINC000226042636 570033818 /nfs/dbraw/zinc/03/38/18/570033818.db2.gz RERYKHYMQUVEFD-UHFFFAOYSA-N 0 0 465.645 2.962 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000226046534 570034166 /nfs/dbraw/zinc/03/41/66/570034166.db2.gz UFIOECLZCQTRMJ-UHFFFAOYSA-N 0 0 480.583 2.780 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1Cl ZINC000226058272 570034993 /nfs/dbraw/zinc/03/49/93/570034993.db2.gz HUCIEBDIVMWLHJ-UHFFFAOYSA-N 0 0 476.942 2.667 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c2ccccc2O1 ZINC000226076347 570036140 /nfs/dbraw/zinc/03/61/40/570036140.db2.gz JCHLDINEODKLRG-QFIPXVFZSA-N 0 0 486.590 2.980 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 ZINC000226078059 570036377 /nfs/dbraw/zinc/03/63/77/570036377.db2.gz IXGGDAXZDGIBFJ-HNNXBMFYSA-N 0 0 486.015 2.596 40 0 JFABRN O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000226081960 570036487 /nfs/dbraw/zinc/03/64/87/570036487.db2.gz QMMDAKWBUDCZMR-KRWDZBQOSA-N 0 0 489.598 2.920 40 0 JFABRN COc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5[C@@H]6C=C[C@@H](C6)[C@@H]5C4=O)c3)CC2=O)cc1 ZINC000226402277 570037744 /nfs/dbraw/zinc/03/77/44/570037744.db2.gz JKPKOMYUURAMBY-WECCILKDSA-N 0 0 472.497 2.965 40 0 JFABRN Cc1c(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000408772409 570039151 /nfs/dbraw/zinc/03/91/51/570039151.db2.gz OWSOOKVGRHMOMQ-UHFFFAOYSA-N 0 0 468.579 2.739 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000229913024 570042136 /nfs/dbraw/zinc/04/21/36/570042136.db2.gz OZRQGFYSBQVKDI-QTDDQOEGSA-N 0 0 484.574 2.819 40 0 JFABRN COC(=O)[C@@H]1NC(c2ccccc2)(c2ccccc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000230528482 570046552 /nfs/dbraw/zinc/04/65/52/570046552.db2.gz QLGNKQPVFSIVOY-DNVJHFABSA-N 0 0 456.498 2.889 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCc2ccccc21)OCO3 ZINC000231657553 570046817 /nfs/dbraw/zinc/04/68/17/570046817.db2.gz XPTRXFOUBVFDIP-UZUQRXQVSA-N 0 0 472.505 2.574 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)occ(-c2nc(C)cs2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238901354 570047676 /nfs/dbraw/zinc/04/76/76/570047676.db2.gz LODGFUDXZVUDFR-DGCJFVAGSA-N 0 0 589.575 2.687 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3O)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408829011 570052543 /nfs/dbraw/zinc/05/25/43/570052543.db2.gz WUCMZGCMUHWGTN-NWKGEQBZSA-N 0 0 494.569 2.997 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408832956 570052870 /nfs/dbraw/zinc/05/28/70/570052870.db2.gz SHEGHAZSTYCEMV-LJJBLSSYSA-N 0 0 476.554 2.878 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3O)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408834178 570052912 /nfs/dbraw/zinc/05/29/12/570052912.db2.gz LCRYSQIQGCUAAJ-ZNQKWNQWSA-N 0 0 450.516 2.518 40 0 JFABRN CC(C)CCN1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C ZINC000245230295 570056354 /nfs/dbraw/zinc/05/63/54/570056354.db2.gz OUEYSXIPPYPTFG-IKOQJJOSSA-N 0 0 459.631 2.937 40 0 JFABRN CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F ZINC000245240547 570058176 /nfs/dbraw/zinc/05/81/76/570058176.db2.gz QANCMLFPWRPMBF-XBDAJRGFSA-N 0 0 487.393 2.542 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408936800 570081643 /nfs/dbraw/zinc/08/16/43/570081643.db2.gz GCSSLCPCNQAUHC-DDYRAIOVSA-N 0 0 458.923 2.972 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(O)cc4)c(=O)n32)cc1OCC ZINC000408937936 570081919 /nfs/dbraw/zinc/08/19/19/570081919.db2.gz RFARRCKNDAWISW-ZAAFRKLLSA-N 0 0 480.542 2.521 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc(F)c4)c(=O)n32)cc1OCC ZINC000408942247 570082846 /nfs/dbraw/zinc/08/28/46/570082846.db2.gz XAXJCGGTLWCHMG-ZAAFRKLLSA-N 0 0 482.533 2.955 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408976731 570089986 /nfs/dbraw/zinc/08/99/86/570089986.db2.gz SRACYTWQVCMOCU-CVGPFBNFSA-N 0 0 494.569 2.911 40 0 JFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccco2)cc1OC ZINC000408978460 570090466 /nfs/dbraw/zinc/09/04/66/570090466.db2.gz IMVQCSJZDYPDPH-UHFFFAOYSA-N 0 0 458.536 2.847 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408987612 570092931 /nfs/dbraw/zinc/09/29/31/570092931.db2.gz QRGVHUSAWUVULK-ZRELAVNMSA-N 0 0 482.533 2.955 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408991449 570094137 /nfs/dbraw/zinc/09/41/37/570094137.db2.gz XKLSYAIBBVNRDO-ACEGTKJHSA-N 0 0 470.572 2.877 40 0 JFABRN O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CCN(Cc4cccs4)C[C@@H]13)O2 ZINC000253398797 570096273 /nfs/dbraw/zinc/09/62/73/570096273.db2.gz HOERITHOMGGDHZ-IPJJNNNSSA-N 0 0 467.591 2.687 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C2CCCCC2)cc1OC ZINC000409003680 570097146 /nfs/dbraw/zinc/09/71/46/570097146.db2.gz JSCCMTRPUSPANT-UHFFFAOYSA-N 0 0 475.567 2.765 40 0 JFABRN Cc1ccc(CN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409004227 570097324 /nfs/dbraw/zinc/09/73/24/570097324.db2.gz OSGRIUWTCDKIEG-UHFFFAOYSA-N 0 0 487.603 2.780 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000409005662 570097779 /nfs/dbraw/zinc/09/77/79/570097779.db2.gz JDJQLKJPLOLLEA-UHFFFAOYSA-N 0 0 496.626 2.829 40 0 JFABRN COC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O ZINC000409009831 570099233 /nfs/dbraw/zinc/09/92/33/570099233.db2.gz INFLPLBOMXVUHK-RCCKNPSSSA-N 0 0 495.557 2.624 40 0 JFABRN COCCn1nnnc1[C@@H](C(C)C)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500351 570101578 /nfs/dbraw/zinc/10/15/78/570101578.db2.gz FZEOVGWFIBJPOW-AUSIDOKSSA-N 0 0 498.584 2.723 40 0 JFABRN Cc1cc2cc(CN(CCO)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000253500549 570102175 /nfs/dbraw/zinc/10/21/75/570102175.db2.gz VUQFJRBEGQZEJL-IRLDBZIGSA-N 0 0 454.575 2.914 40 0 JFABRN COc1ccc(N(CC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)cc1OC ZINC000409025040 570104137 /nfs/dbraw/zinc/10/41/37/570104137.db2.gz PSDCWDGUGJNXTN-UHFFFAOYSA-N 0 0 452.598 2.828 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000409025541 570104208 /nfs/dbraw/zinc/10/42/08/570104208.db2.gz WVWPEHXPDVYHCU-UHFFFAOYSA-N 0 0 460.552 2.692 40 0 JFABRN CC1(C)[C@H](C(=O)N[C@@H](O)C(Cl)(Cl)Cl)C[C@H]1CC(=O)N[C@H](O)C(Cl)(Cl)Cl ZINC000254419924 570105680 /nfs/dbraw/zinc/10/56/80/570105680.db2.gz OGTLIIHRGUPOEW-DERVNVNRSA-N 0 0 479.015 2.648 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OC)cc3OC)sc2=N1 ZINC000409030199 570105738 /nfs/dbraw/zinc/10/57/38/570105738.db2.gz CSAOPYADVKDXPI-WLJFKGHSSA-N 0 0 464.543 2.816 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccncc4)c(=O)n32)cc1 ZINC000409031270 570105805 /nfs/dbraw/zinc/10/58/05/570105805.db2.gz AFQZFKUVIBFCEV-VOSMRYOYSA-N 0 0 463.559 2.981 40 0 JFABRN O=C(COc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1)Nc1ccccc1 ZINC000256055691 570107031 /nfs/dbraw/zinc/10/70/31/570107031.db2.gz PVWUXPWTXRIPMF-ZHZULCJRSA-N 0 0 455.499 2.778 40 0 JFABRN Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=c2\sc3ncnn3c2=O)c1 ZINC000256055697 570107059 /nfs/dbraw/zinc/10/70/59/570107059.db2.gz PZJLEUNULYDUQT-MFOYZWKCSA-N 0 0 471.336 2.787 40 0 JFABRN Cn1nccc1CCC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 ZINC000257200141 570107671 /nfs/dbraw/zinc/10/76/71/570107671.db2.gz ACEALEXMCMPBRK-VWLOTQADSA-N 0 0 489.016 2.943 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OC)c(OC)c3)sc2=N1 ZINC000409043278 570107982 /nfs/dbraw/zinc/10/79/82/570107982.db2.gz DQVVEAPENRMVBQ-PZHBDVNGSA-N 0 0 464.543 2.816 40 0 JFABRN CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1Br ZINC000409047076 570108965 /nfs/dbraw/zinc/10/89/65/570108965.db2.gz MQJAXZPLRZJJBA-RIYZIHGNSA-N 0 0 472.313 2.990 40 0 JFABRN CNC(=O)[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCN1Cc1ccccc1 ZINC000257205769 570109576 /nfs/dbraw/zinc/10/95/76/570109576.db2.gz BAMMSJPZRIBFDM-QFIPXVFZSA-N 0 0 455.986 2.847 40 0 JFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)n1 ZINC000257206202 570109749 /nfs/dbraw/zinc/10/97/49/570109749.db2.gz BCHXJIHXLRCOIH-INIZCTEOSA-N 0 0 455.946 2.718 40 0 JFABRN Cn1cc(-c2cccc(C(=O)N3CCC[C@@]4(CN(Cc5ccccc5)C(=O)CO4)CC3)n2)cn1 ZINC000257207952 570110302 /nfs/dbraw/zinc/11/03/02/570110302.db2.gz BKBIHWSOVORVID-SANMLTNESA-N 0 0 459.550 2.906 40 0 JFABRN O=C(COc1cccc(F)c1)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257209009 570110689 /nfs/dbraw/zinc/11/06/89/570110689.db2.gz BOPROKJSLFFEEH-CVDCTZTESA-N 0 0 456.514 2.750 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccc(F)cc2)cc1 ZINC000409055173 570111368 /nfs/dbraw/zinc/11/13/68/570111368.db2.gz DEQWUHUPZNPFIH-UHFFFAOYSA-N 0 0 491.566 2.611 40 0 JFABRN Cc1nonc1COc1ccccc1C(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000257215540 570112740 /nfs/dbraw/zinc/11/27/40/570112740.db2.gz CQQFCLFOWHTKIJ-RUZDIDTESA-N 0 0 462.506 2.601 40 0 JFABRN CCOc1ccccc1-c1cc(C(=O)N2C[C@H]3OCC(=O)N(Cc4ccc(F)cc4)[C@@H]3C2)[nH]n1 ZINC000257221582 570114637 /nfs/dbraw/zinc/11/46/37/570114637.db2.gz DPSBGKNYUMVVAO-FYYLOGMGSA-N 0 0 464.497 2.867 40 0 JFABRN Cc1ncncc1C(=O)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)CC1 ZINC000257223315 570115031 /nfs/dbraw/zinc/11/50/31/570115031.db2.gz DWVHOWWOOGSZOM-UHFFFAOYSA-N 0 0 472.973 2.989 40 0 JFABRN COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC ZINC000409068137 570117305 /nfs/dbraw/zinc/11/73/05/570117305.db2.gz FUPDAFYJPASGDS-MRACZJACSA-N 0 0 488.312 2.607 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(COc3ccccc3)(CC(=O)N3CCOCC3)CC2)cc1 ZINC000257227912 570116448 /nfs/dbraw/zinc/11/64/48/570116448.db2.gz FRNVLPVKSIQISC-UHFFFAOYSA-N 0 0 488.606 2.794 40 0 JFABRN COC(=O)C(=Cc1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)OC ZINC000409070367 570117995 /nfs/dbraw/zinc/11/79/95/570117995.db2.gz FSMAARGUXFXQSX-UHFFFAOYSA-N 0 0 455.282 2.946 40 0 JFABRN CN1CCN(C(=O)C[C@H]2CN(C(=O)CCCc3cn[nH]c3)CC[C@@H]2Oc2ccc(Cl)cc2)CC1 ZINC000257234089 570118326 /nfs/dbraw/zinc/11/83/26/570118326.db2.gz GSAHEXOPRMSPEO-REWPJTCUSA-N 0 0 488.032 2.846 40 0 JFABRN Cc1cn([C@@H]2CN(C(=O)CCCn3c4ccccc4nc3C(F)(F)F)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257235117 570118624 /nfs/dbraw/zinc/11/86/24/570118624.db2.gz GWMRKGFFTGSJAT-VGOFRKELSA-N 0 0 493.486 2.631 40 0 JFABRN O=C(CCCc1cn[nH]c1)N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCC(F)(F)CC1 ZINC000257235640 570118876 /nfs/dbraw/zinc/11/88/76/570118876.db2.gz GYSTXXWDIAVWSP-IVOMFYJKSA-N 0 0 466.504 2.668 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@H]3CCN(C(=O)C4CCCC4)C3)n2)n[nH]1 ZINC000257236947 570119180 /nfs/dbraw/zinc/11/91/80/570119180.db2.gz HEMZIIONDJOMGS-GOSISDBHSA-N 0 0 452.607 2.585 40 0 JFABRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N([C@H](C)C(=O)OC)C1=O ZINC000409076045 570119992 /nfs/dbraw/zinc/11/99/92/570119992.db2.gz WXQHKDWHYUZOLC-WWNSAXIVSA-N 0 0 472.313 2.989 40 0 JFABRN CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC2)n1 ZINC000257248013 570122583 /nfs/dbraw/zinc/12/25/83/570122583.db2.gz JBRLHEKPFFMEPO-UHFFFAOYSA-N 0 0 454.546 2.912 40 0 JFABRN CC(C)n1nccc1CN1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257249019 570122960 /nfs/dbraw/zinc/12/29/60/570122960.db2.gz JGIWURPITYMALP-RUZDIDTESA-N 0 0 490.048 2.932 40 0 JFABRN COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000257249362 570123075 /nfs/dbraw/zinc/12/30/75/570123075.db2.gz JHXHPNKFUFXKMB-WATLYSKOSA-N 0 0 463.538 2.678 40 0 JFABRN COc1ccc(-c2nccc([C@@H]3CCCN3C(=O)[C@]3(C)CCCN(S(C)(=O)=O)C3)n2)cc1 ZINC000257252840 570123971 /nfs/dbraw/zinc/12/39/71/570123971.db2.gz JWHIVOPQWMOYJK-NZQKXSOJSA-N 0 0 458.584 2.877 40 0 JFABRN COCCC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257257265 570125347 /nfs/dbraw/zinc/12/53/47/570125347.db2.gz KOVCNBTXQPYVMD-QHCPKHFHSA-N 0 0 451.995 2.528 40 0 JFABRN Cc1cc(O)cc(=O)n1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000257257986 570125656 /nfs/dbraw/zinc/12/56/56/570125656.db2.gz KRXJACDKNQUEAU-HSZRJFAPSA-N 0 0 469.557 2.864 40 0 JFABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(N)=O)c(OC)c3)C2=O)cc1 ZINC000409094939 570126217 /nfs/dbraw/zinc/12/62/17/570126217.db2.gz GSXONOZTTZALOX-YBFXNURJSA-N 0 0 485.518 2.633 40 0 JFABRN CC(=O)N[C@]12CN(CC(=O)Nc3cc(F)ccc3C)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257262142 570127011 /nfs/dbraw/zinc/12/70/11/570127011.db2.gz LKGQPYXCMQLOGL-DNRSQYFGSA-N 0 0 466.557 2.873 40 0 JFABRN CC(C)(NC(=O)Cc1ccc(F)cc1)C(=O)N1CCOC[C@H](Cc2ccc3nccn3c2)C1 ZINC000257264764 570127869 /nfs/dbraw/zinc/12/78/69/570127869.db2.gz LVYDVGFZTKTELE-HXUWFJFHSA-N 0 0 452.530 2.628 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@@H]3CCN(C(=O)c4ccccc4)C3)n2)n[nH]1 ZINC000257269611 570129572 /nfs/dbraw/zinc/12/95/72/570129572.db2.gz MQRHILUEQSIISE-IBGZPJMESA-N 0 0 460.586 2.708 40 0 JFABRN NC(=O)c1cnn2c1nccc2[C@@H]1CCCCN1C(=O)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000257274426 570130924 /nfs/dbraw/zinc/13/09/24/570130924.db2.gz NLAOSQUSAAUETG-NRFANRHFSA-N 0 0 462.554 2.670 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409109556 570131646 /nfs/dbraw/zinc/13/16/46/570131646.db2.gz HERDCDFOLXIVHZ-LAFOYAEKSA-N 0 0 497.935 2.913 40 0 JFABRN Cn1ccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)CC2)n1 ZINC000257277551 570131908 /nfs/dbraw/zinc/13/19/08/570131908.db2.gz NYJBERHIQAXHGJ-UHFFFAOYSA-N 0 0 474.005 2.539 40 0 JFABRN NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)C1 ZINC000257283329 570133666 /nfs/dbraw/zinc/13/36/66/570133666.db2.gz OXVKSCJPTWSCAX-HSZRJFAPSA-N 0 0 453.543 2.726 40 0 JFABRN O=C(c1ccccc1OCCN1CCCC1=O)N1CCOC[C@@H](Cc2cccn3nccc23)C1 ZINC000257283672 570133681 /nfs/dbraw/zinc/13/36/81/570133681.db2.gz OZHZGCYXSYVLQC-FQEVSTJZSA-N 0 0 462.550 2.667 40 0 JFABRN COc1ccccc1Cc1ccc(C(=O)N2CCC[C@H](Cc3cc(C(N)=O)nc(C)n3)C2)cn1 ZINC000257283870 570133851 /nfs/dbraw/zinc/13/38/51/570133851.db2.gz PAFVHXCQNHHAQN-GOSISDBHSA-N 0 0 459.550 2.973 40 0 JFABRN CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257285724 570134372 /nfs/dbraw/zinc/13/43/72/570134372.db2.gz PIMLETYNQNCYQW-HXUWFJFHSA-N 0 0 474.561 2.968 40 0 JFABRN CC(=O)N1CCN(CC(=O)NCc2nc3ccccc3n2C)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257286048 570134428 /nfs/dbraw/zinc/13/44/28/570134428.db2.gz PJZJTEXRMSRFLR-XMMPIXPASA-N 0 0 463.582 2.882 40 0 JFABRN CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@@H](n1ccc3cc(C(N)=O)cnc31)[C@](C)(O)C2 ZINC000257287334 570134866 /nfs/dbraw/zinc/13/48/66/570134866.db2.gz PPMYALVZYZHTSA-WZONZLPQSA-N 0 0 458.559 2.865 40 0 JFABRN Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257305496 570140062 /nfs/dbraw/zinc/14/00/62/570140062.db2.gz SQHMCKHVBUTFRJ-RDPSFJRHSA-N 0 0 485.604 2.558 40 0 JFABRN COC(=O)c1c(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)sc2c1CCCC2 ZINC000409137689 570142997 /nfs/dbraw/zinc/14/29/97/570142997.db2.gz YBNLWKLRKQAORL-UHFFFAOYSA-N 0 0 452.554 2.827 40 0 JFABRN COC(=O)c1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)cc1 ZINC000409139510 570143892 /nfs/dbraw/zinc/14/38/92/570143892.db2.gz OANWKNSEQJHOFZ-AWEZNQCLSA-N 0 0 453.524 2.824 40 0 JFABRN COc1ccc(C)cc1NC(=O)CN1C[C@]2(NC(C)=O)CN(C(C)=O)CC[C@@H]2[C@H]1c1ccccc1 ZINC000257318679 570144093 /nfs/dbraw/zinc/14/40/93/570144093.db2.gz VOYZZHUURVXADY-GDKKVTFASA-N 0 0 478.593 2.742 40 0 JFABRN CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(C(=O)CCCNc2ncnc3ccccc32)[C@H]1c1ccccc1 ZINC000257319495 570144421 /nfs/dbraw/zinc/14/44/21/570144421.db2.gz VSVDAFVYRYAZIN-LSQMVHIFSA-N 0 0 488.592 2.757 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)CC1 ZINC000409142019 570145076 /nfs/dbraw/zinc/14/50/76/570145076.db2.gz AGYLTWIFOMLYQY-SFHVURJKSA-N 0 0 474.579 2.907 40 0 JFABRN COc1cccc(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)c1 ZINC000257322661 570145159 /nfs/dbraw/zinc/14/51/59/570145159.db2.gz WGXNABISURZDIV-DHLKQENFSA-N 0 0 465.594 2.698 40 0 JFABRN Cc1nn(C)cc1NC(=O)CN1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 ZINC000257324047 570145665 /nfs/dbraw/zinc/14/56/65/570145665.db2.gz WMXXYDPRRAUOEH-QFIPXVFZSA-N 0 0 472.977 2.749 40 0 JFABRN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCCCN2CC(=O)NCc2ccccn2)n1 ZINC000257328935 570147231 /nfs/dbraw/zinc/14/72/31/570147231.db2.gz XHRRAYNURNANRO-QFIPXVFZSA-N 0 0 473.581 2.547 40 0 JFABRN O=C(COc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000257330025 570147502 /nfs/dbraw/zinc/14/75/02/570147502.db2.gz XMLVFGBIBLWLLN-JOCHJYFZSA-N 0 0 496.608 2.550 40 0 JFABRN COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000409147345 570147656 /nfs/dbraw/zinc/14/76/56/570147656.db2.gz WSNSCOWEZLGBDE-XSFVSMFZSA-N 0 0 481.530 2.985 40 0 JFABRN CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000409151582 570149263 /nfs/dbraw/zinc/14/92/63/570149263.db2.gz CHAQFYYWPZIIPB-UHFFFAOYSA-N 0 0 467.551 2.674 40 0 JFABRN CS(=O)(=O)c1c[nH]nc1C[C@H]1CCCN(C(=O)C2(Cc3ccccc3F)CCOCC2)C1 ZINC000257337387 570149697 /nfs/dbraw/zinc/14/96/97/570149697.db2.gz YSPAPBZRIXHQSZ-QGZVFWFLSA-N 0 0 463.575 2.773 40 0 JFABRN CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2C)cc1 ZINC000409153561 570149770 /nfs/dbraw/zinc/14/97/70/570149770.db2.gz MAUPVADBVHUUOR-UHFFFAOYSA-N 0 0 469.567 2.812 40 0 JFABRN O=C(C[C@H]1CN(C(=O)c2ccnc(N3CCCC3)c2)CC[C@@H]1Oc1ccccc1)N1CCOCC1 ZINC000257339789 570150378 /nfs/dbraw/zinc/15/03/78/570150378.db2.gz ZDELSWDXFZPUAO-UPVQGACJSA-N 0 0 478.593 2.840 40 0 JFABRN CN1CCN(C(=O)c2ccnc(-c3cncnc3)c2)C[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000257340373 570150512 /nfs/dbraw/zinc/15/05/12/570150512.db2.gz ZFTAUTKDODBVEL-DEOSSOPVSA-N 0 0 471.565 2.534 40 0 JFABRN CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257341062 570150718 /nfs/dbraw/zinc/15/07/18/570150718.db2.gz ZIRPQZQUHLXUGZ-FLAFYDAQSA-N 0 0 487.597 2.921 40 0 JFABRN COc1cccc(S(=O)(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N3CCOCC3)C2)c1 ZINC000257342392 570151020 /nfs/dbraw/zinc/15/10/20/570151020.db2.gz ZOJLCFGZTXSGME-VWLOTQADSA-N 0 0 488.606 2.794 40 0 JFABRN CC(=O)OC[C@]12CC[C@H](OC(C)=O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](C(C)=O)CC[C@@]12O ZINC000257349708 570152943 /nfs/dbraw/zinc/15/29/43/570152943.db2.gz QMLGTZOEQLNEEK-YBROCEJWSA-N 0 0 450.572 2.939 40 0 JFABRN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1 ZINC000409165836 570153233 /nfs/dbraw/zinc/15/32/33/570153233.db2.gz ANLVWKCFSFLCMA-UHFFFAOYSA-N 0 0 469.567 2.905 40 0 JFABRN COc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260704495 570154667 /nfs/dbraw/zinc/15/46/67/570154667.db2.gz AVIGTKUWUHJVGH-QGZVFWFLSA-N 0 0 496.029 2.911 40 0 JFABRN COC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)c1 ZINC000409170686 570154890 /nfs/dbraw/zinc/15/48/90/570154890.db2.gz WQJSKZZFHMTTFF-UHFFFAOYSA-N 0 0 453.524 2.571 40 0 JFABRN CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1)S(C)(=O)=O ZINC000260714224 570154952 /nfs/dbraw/zinc/15/49/52/570154952.db2.gz BRNDLUUIJXARNY-QHCPKHFHSA-N 0 0 487.553 2.696 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260720199 570155164 /nfs/dbraw/zinc/15/51/64/570155164.db2.gz GLNKXPZMXNLTIB-LJQANCHMSA-N 0 0 459.612 2.957 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3F)C2)c1 ZINC000260731090 570155463 /nfs/dbraw/zinc/15/54/63/570155463.db2.gz CFGVVFBFDMCWDI-KRWDZBQOSA-N 0 0 450.532 2.902 40 0 JFABRN COCCNC(=S)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCC[C@H](C)C2)n1 ZINC000260739749 570155776 /nfs/dbraw/zinc/15/57/76/570155776.db2.gz OQEKNKJRVOXKQK-IBGZPJMESA-N 0 0 469.659 2.972 40 0 JFABRN CC1CCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NCCN3CCOCC3)n2)CC1 ZINC000260740043 570155783 /nfs/dbraw/zinc/15/57/83/570155783.db2.gz SBAOEYUGCIXCAW-LJQANCHMSA-N 0 0 461.680 2.710 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000260741732 570156008 /nfs/dbraw/zinc/15/60/08/570156008.db2.gz BFILDZHNFONVSS-QGZVFWFLSA-N 0 0 493.601 2.932 40 0 JFABRN COc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000260745509 570156283 /nfs/dbraw/zinc/15/62/83/570156283.db2.gz BYPVPDICLCMKTA-LJQANCHMSA-N 0 0 489.638 2.956 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2c(OC)cccc2OC)C1 ZINC000260749519 570156488 /nfs/dbraw/zinc/15/64/88/570156488.db2.gz VXJXXDLUCKCPKA-HNNXBMFYSA-N 0 0 466.531 2.569 40 0 JFABRN COc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)c1 ZINC000260754430 570156711 /nfs/dbraw/zinc/15/67/11/570156711.db2.gz QNFHJZUENMCNQG-QGZVFWFLSA-N 0 0 496.029 2.911 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260761359 570156873 /nfs/dbraw/zinc/15/68/73/570156873.db2.gz TZSWBRKLBFRBGJ-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 ZINC000260761341 570156887 /nfs/dbraw/zinc/15/68/87/570156887.db2.gz TZCKLZRTDNZBHU-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260764569 570157218 /nfs/dbraw/zinc/15/72/18/570157218.db2.gz UOPRBBRANVMUST-HXUWFJFHSA-N 0 0 473.639 2.999 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260779570 570157925 /nfs/dbraw/zinc/15/79/25/570157925.db2.gz ZLFXCVPPJIRYNE-LJQANCHMSA-N 0 0 489.638 2.966 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 ZINC000260787052 570158072 /nfs/dbraw/zinc/15/80/72/570158072.db2.gz LYVMVDHBVDLNIV-LJQANCHMSA-N 0 0 487.622 2.937 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1F ZINC000260790562 570158124 /nfs/dbraw/zinc/15/81/24/570158124.db2.gz GWOZHODHPGNSAR-QGZVFWFLSA-N 0 0 477.558 2.919 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000260799621 570158424 /nfs/dbraw/zinc/15/84/24/570158424.db2.gz QEHAQBHPHPTSSA-QGZVFWFLSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl ZINC000260828799 570159446 /nfs/dbraw/zinc/15/94/46/570159446.db2.gz DGDCITWFMSDJSW-CYBMUJFWSA-N 0 0 454.932 2.763 40 0 JFABRN CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)cc1 ZINC000260828776 570159449 /nfs/dbraw/zinc/15/94/49/570159449.db2.gz DAGCPFXCCIJFAR-QKKBWIMNSA-N 0 0 464.927 2.829 40 0 JFABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCOc1ccc(F)cc1)O2 ZINC000260848724 570160677 /nfs/dbraw/zinc/16/06/77/570160677.db2.gz PCXMDYQJIYSQMP-HXUWFJFHSA-N 0 0 450.532 2.845 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccccc3)Oc3ccccc32)cc1 ZINC000260850922 570160784 /nfs/dbraw/zinc/16/07/84/570160784.db2.gz TZDRFPWSLQMBAP-HSZRJFAPSA-N 0 0 468.531 2.847 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260863059 570161105 /nfs/dbraw/zinc/16/11/05/570161105.db2.gz VEFFHWXDYJWZFG-JOCHJYFZSA-N 0 0 475.611 2.577 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260863100 570161163 /nfs/dbraw/zinc/16/11/63/570161163.db2.gz VPOCNGIUMZPQHI-MRXNPFEDSA-N 0 0 466.003 2.832 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260874437 570161318 /nfs/dbraw/zinc/16/13/18/570161318.db2.gz MCLNOGBJYIIQFO-GOSISDBHSA-N 0 0 493.601 2.932 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260875680 570161330 /nfs/dbraw/zinc/16/13/30/570161330.db2.gz GULZVMHQFRMZTP-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000260883618 570161476 /nfs/dbraw/zinc/16/14/76/570161476.db2.gz CHIPLHYSRLAAOP-OALUTQOASA-N 0 0 477.602 2.966 40 0 JFABRN COc1ccccc1N(CC(=O)NC[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1 ZINC000260890364 570161834 /nfs/dbraw/zinc/16/18/34/570161834.db2.gz CPRPLWTVYVZCTR-SFHVURJKSA-N 0 0 468.531 2.847 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)Oc3ccccc32)cc1 ZINC000260893011 570162166 /nfs/dbraw/zinc/16/21/66/570162166.db2.gz FZSRWSHUSAOEAF-HOYKHHGWSA-N 0 0 496.541 2.608 40 0 JFABRN CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000260893037 570162177 /nfs/dbraw/zinc/16/21/77/570162177.db2.gz GGYITFAGQPKATP-GHTZIAJQSA-N 0 0 464.609 2.758 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1Cl ZINC000260895248 570162314 /nfs/dbraw/zinc/16/23/14/570162314.db2.gz JKOGUROGWFKOSI-QGZVFWFLSA-N 0 0 496.029 2.652 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000260897684 570162439 /nfs/dbraw/zinc/16/24/39/570162439.db2.gz JYSPLISPQYPLED-PKOBYXMFSA-N 0 0 464.971 2.838 40 0 JFABRN Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000260896531 570162469 /nfs/dbraw/zinc/16/24/69/570162469.db2.gz NGAYPWPMGXQMBF-HXUWFJFHSA-N 0 0 459.612 2.951 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000260899207 570162566 /nfs/dbraw/zinc/16/25/66/570162566.db2.gz NRVXNCGDMMOBFQ-GOSISDBHSA-N 0 0 493.601 2.790 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000260901832 570162753 /nfs/dbraw/zinc/16/27/53/570162753.db2.gz OKPZBFZEBLCFON-SFTDATJTSA-N 0 0 458.580 2.617 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000260901794 570162815 /nfs/dbraw/zinc/16/28/15/570162815.db2.gz ODJMXXNLZPTFTI-NTKDMRAZSA-N 0 0 480.542 2.740 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000260910079 570163293 /nfs/dbraw/zinc/16/32/93/570163293.db2.gz WOFUHYFLIIHEOX-PKOBYXMFSA-N 0 0 464.971 2.838 40 0 JFABRN CCCCNC(=O)COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000409197907 570164148 /nfs/dbraw/zinc/16/41/48/570164148.db2.gz RSFCWFOTVTUOED-UHFFFAOYSA-N 0 0 450.557 2.520 40 0 JFABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C[C@H]2CCCO2)N1CCCN1CCOCC1 ZINC000260926909 570164761 /nfs/dbraw/zinc/16/47/61/570164761.db2.gz WWNPZXYZNBTLPS-UEVCKROQSA-N 0 0 455.628 2.757 40 0 JFABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCC(N)=O ZINC000409199971 570164851 /nfs/dbraw/zinc/16/48/51/570164851.db2.gz GCWQHQVRARVYKV-ODLFYWEKSA-N 0 0 469.519 2.933 40 0 JFABRN CC[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000260928692 570164896 /nfs/dbraw/zinc/16/48/96/570164896.db2.gz KMTIDZQTIPPVHQ-AUUYWEPGSA-N 0 0 456.561 2.651 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000260927901 570164922 /nfs/dbraw/zinc/16/49/22/570164922.db2.gz HFZASQPTFXRFCV-MSOLQXFVSA-N 0 0 493.601 2.932 40 0 JFABRN Cc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1C ZINC000260943078 570165735 /nfs/dbraw/zinc/16/57/35/570165735.db2.gz SZBBVOGHNQKWFD-IAGOWNOFSA-N 0 0 452.598 2.739 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000261007337 570166645 /nfs/dbraw/zinc/16/66/45/570166645.db2.gz SWJDOKYEZPPIIE-MSOLQXFVSA-N 0 0 463.575 2.924 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000261002284 570166659 /nfs/dbraw/zinc/16/66/59/570166659.db2.gz RUOHXDJGHVXRBJ-SFTDATJTSA-N 0 0 488.654 2.674 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000261123319 570167228 /nfs/dbraw/zinc/16/72/28/570167228.db2.gz ZOAOBMPJYFIUHK-MSOLQXFVSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000261099002 570167230 /nfs/dbraw/zinc/16/72/30/570167230.db2.gz VRKXLLFEMVLFBO-ROUUACIJSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000261115149 570167284 /nfs/dbraw/zinc/16/72/84/570167284.db2.gz YKOIFWHQBKVSJV-QGZVFWFLSA-N 0 0 493.601 2.932 40 0 JFABRN O=C1C[C@H](N2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 ZINC000261526708 570170330 /nfs/dbraw/zinc/17/03/30/570170330.db2.gz HNUAJSMPGVRPQB-FQEVSTJZSA-N 0 0 454.490 2.739 40 0 JFABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCC(N)=O ZINC000409218759 570173684 /nfs/dbraw/zinc/17/36/84/570173684.db2.gz KKIWTHVHHULMJC-MTJSOVHGSA-N 0 0 495.557 2.571 40 0 JFABRN OCCCNc1nc(Nc2ccc(I)cc2F)cc(-c2ccccn2)n1 ZINC000328967525 570179803 /nfs/dbraw/zinc/17/98/03/570179803.db2.gz CUIMGOLTCOKPFG-UHFFFAOYSA-N 0 0 465.270 2.664 40 0 JFABRN C[C@@H](CO)Nc1nc(Nc2ccc(I)cc2F)cc(-c2ccccn2)n1 ZINC000328971212 570179949 /nfs/dbraw/zinc/17/99/49/570179949.db2.gz DOAZEQGWKWKCAQ-NSHDSACASA-N 0 0 465.270 2.662 40 0 JFABRN OCCNc1nc(Nc2ccc(I)cc2Cl)cc(C(F)(F)F)n1 ZINC000328970900 570180005 /nfs/dbraw/zinc/18/00/05/570180005.db2.gz DNNVUAMUOKVLDJ-UHFFFAOYSA-N 0 0 458.609 2.745 40 0 JFABRN COC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1I ZINC000409243903 570183209 /nfs/dbraw/zinc/18/32/09/570183209.db2.gz YUWLGEUGSCRXNR-MHWRWJLKSA-N 0 0 492.269 2.936 40 0 JFABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000409253942 570186517 /nfs/dbraw/zinc/18/65/17/570186517.db2.gz CIFUCXFCXWRMHO-UHFFFAOYSA-N 0 0 454.932 2.698 40 0 JFABRN COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cccc1OC ZINC000408530393 570187703 /nfs/dbraw/zinc/18/77/03/570187703.db2.gz KTZVFOVDSKGLBY-WOJGMQOQSA-N 0 0 486.502 2.931 40 0 JFABRN COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cccc1OC ZINC000408535151 570189781 /nfs/dbraw/zinc/18/97/81/570189781.db2.gz UWUZUAARLWHYCF-UDWIEESQSA-N 0 0 496.541 2.868 40 0 JFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2cccnc2)cc1C ZINC000408551773 570195371 /nfs/dbraw/zinc/19/53/71/570195371.db2.gz MMUCAXTVWNJUJH-UHFFFAOYSA-N 0 0 453.564 2.948 40 0 JFABRN COC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC ZINC000408552006 570195392 /nfs/dbraw/zinc/19/53/92/570195392.db2.gz RDCSCMFNYFRNNV-OQLLNIDSSA-N 0 0 468.915 2.559 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000408555303 570196766 /nfs/dbraw/zinc/19/67/66/570196766.db2.gz WKRSXXWLTFCFII-QGZVFWFLSA-N 0 0 476.551 2.920 40 0 JFABRN CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)c(C)c3)CC2)CC1 ZINC000408557799 570198427 /nfs/dbraw/zinc/19/84/27/570198427.db2.gz HUQPIAPJSWCVGT-UHFFFAOYSA-N 0 0 466.600 2.596 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)C2)c1 ZINC000408560856 570200713 /nfs/dbraw/zinc/20/07/13/570200713.db2.gz QJHFLSGDRSICHD-OAHLLOKOSA-N 0 0 464.540 2.760 40 0 JFABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)CC1=O ZINC000408576935 570205993 /nfs/dbraw/zinc/20/59/93/570205993.db2.gz HKJLJTCSIATYSF-GOSISDBHSA-N 0 0 484.984 2.702 40 0 JFABRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408578637 570206329 /nfs/dbraw/zinc/20/63/29/570206329.db2.gz LESVQOKPCHZZDN-HXUWFJFHSA-N 0 0 494.592 2.529 40 0 JFABRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000408581782 570206835 /nfs/dbraw/zinc/20/68/35/570206835.db2.gz ALCQSUYTPWJENA-UHFFFAOYSA-N 0 0 462.524 2.519 40 0 JFABRN C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000408583396 570207252 /nfs/dbraw/zinc/20/72/52/570207252.db2.gz ZPYAIZBZDNLESL-KGLIPLIRSA-N 0 0 480.348 2.861 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc(C(=O)OC)c1 ZINC000408584526 570207646 /nfs/dbraw/zinc/20/76/46/570207646.db2.gz QWKRTLMRFQFXJZ-CQSZACIVSA-N 0 0 470.503 2.719 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc(C(=O)OC)c1 ZINC000408584525 570207662 /nfs/dbraw/zinc/20/76/62/570207662.db2.gz QWKRTLMRFQFXJZ-AWEZNQCLSA-N 0 0 470.503 2.719 40 0 JFABRN COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cc(C(=O)OC)c1 ZINC000408585205 570207912 /nfs/dbraw/zinc/20/79/12/570207912.db2.gz XQHAGVJTTPQPPJ-UHFFFAOYSA-N 0 0 498.941 2.617 40 0 JFABRN CCOCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000408588126 570208530 /nfs/dbraw/zinc/20/85/30/570208530.db2.gz CLFJQYOLFWYHJL-IBGZPJMESA-N 0 0 469.401 2.882 40 0 JFABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000408588652 570208634 /nfs/dbraw/zinc/20/86/34/570208634.db2.gz DNMKRSALSVBEPK-AWEZNQCLSA-N 0 0 480.539 2.585 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC ZINC000408591072 570209155 /nfs/dbraw/zinc/20/91/55/570209155.db2.gz IQXUVVSFNCREAB-LLVKDONJSA-N 0 0 458.920 2.680 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCCCn1ccnc1 ZINC000408593335 570209764 /nfs/dbraw/zinc/20/97/64/570209764.db2.gz NHMJYNWXJQOGLY-UHFFFAOYSA-N 0 0 454.980 2.733 40 0 JFABRN COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccc4c(c3)OCO4)[C@H](O)[C@H]2[C@@H]1C ZINC000030883806 291485433 /nfs/dbraw/zinc/48/54/33/291485433.db2.gz QMWHKZMENWVURC-QPQZNJHESA-N 0 0 474.598 2.622 40 0 biogenic,in-vitro JFABRN COc1c2c(c(C)c3c1C[C@H]1[C@@]4(C)CC[C@]5(OC)O[C@]6(C)CO[C@@](O)(C[C@]1(C)O3)[C@@]64O5)COC2=O ZINC000036378992 291486165 /nfs/dbraw/zinc/48/61/65/291486165.db2.gz UEVWVMGTABEFID-MSMNKJDQSA-N 0 0 488.533 2.751 40 0 biogenic,in-vitro JFABRN COc1c2c(c(C)c3c1C[C@@H]1[C@@](C)(C[C@H](O)[C@@]4(O)[C@@]1(C)CCC(=O)OC4(C)C)O3)COC2=O ZINC000247987035 291486174 /nfs/dbraw/zinc/48/61/74/291486174.db2.gz ZVTVYIVILDSYIK-UVHKRSBMSA-N 0 0 460.523 2.601 40 0 biogenic,in-vitro JFABRN COc1ccccc1CN(CC(=O)NC1CCCCC1)C(=O)Cn1nnc(-c2cccs2)n1 ZINC000000887396 193949504 /nfs/dbraw/zinc/94/95/04/193949504.db2.gz GOQGHBFDQDHYQP-UHFFFAOYSA-N 0 0 468.583 2.888 40 0 JFABRN COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3cccs3)n2)cc1OC ZINC000000887188 193949175 /nfs/dbraw/zinc/94/91/75/193949175.db2.gz PNSXYFUNMOOQTG-UHFFFAOYSA-N 0 0 470.555 2.511 40 0 JFABRN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000000922123 193972845 /nfs/dbraw/zinc/97/28/45/193972845.db2.gz HAPKUYSPFFTPTR-UHFFFAOYSA-N 0 0 480.554 2.748 40 0 JFABRN COc1cc2cc(CN(CCO)S(=O)(=O)c3c(C)cc(C)cc3C)c(=O)[nH]c2cc1OC ZINC000000923378 193974504 /nfs/dbraw/zinc/97/45/04/193974504.db2.gz JIWAMJFYHJFNCH-UHFFFAOYSA-N 0 0 460.552 2.654 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000927062 193979043 /nfs/dbraw/zinc/97/90/43/193979043.db2.gz SVUSWHXGNBWNHG-UHFFFAOYSA-N 0 0 460.538 2.897 40 0 JFABRN Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000931290 193983331 /nfs/dbraw/zinc/98/33/31/193983331.db2.gz RTNYJFFYRUTGLO-UHFFFAOYSA-N 0 0 471.608 2.675 40 0 JFABRN O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(NCCC3=CCCCC3)nc(N3CCOCC3)n2)C1 ZINC000001078200 194019472 /nfs/dbraw/zinc/01/94/72/194019472.db2.gz CWWVSVABIHIOJU-RTWAWAEBSA-N 0 0 477.613 2.796 40 0 JFABRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1Cl ZINC000001262893 194080858 /nfs/dbraw/zinc/08/08/58/194080858.db2.gz KELOKGYVHMDMDD-UHFFFAOYSA-N 0 0 483.015 2.557 40 0 JFABRN CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccccc3I)cc2)CC1 ZINC000001262259 194080901 /nfs/dbraw/zinc/08/09/01/194080901.db2.gz OETVQJQXMSIFPX-UHFFFAOYSA-N 0 0 485.347 2.625 40 0 JFABRN COc1ccccc1C(=O)N1CCC(c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[nH]2)CC1 ZINC000001324639 194085669 /nfs/dbraw/zinc/08/56/69/194085669.db2.gz MXBHSBGUAWNJQS-UHFFFAOYSA-N 0 0 458.522 2.900 40 0 JFABRN O=C(c1c(F)cccc1F)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)CC1 ZINC000001325081 194086269 /nfs/dbraw/zinc/08/62/69/194086269.db2.gz HXTNWXJKLDQGQZ-UHFFFAOYSA-N 0 0 450.449 2.861 40 0 JFABRN O=C(CSc1nnc2n(CC(=O)N3CCCC3)c3ccccc3n12)Nc1ccc2c(c1)OCCO2 ZINC000001325753 194086741 /nfs/dbraw/zinc/08/67/41/194086741.db2.gz PPGDQGXJLGQRMN-UHFFFAOYSA-N 0 0 492.561 2.808 40 0 JFABRN CC(=O)c1ccc(S(=O)(=O)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C[C@H]2COCCO2)cc1 ZINC000001335309 194093967 /nfs/dbraw/zinc/09/39/67/194093967.db2.gz RIAJUGVQGWFZKZ-NRFANRHFSA-N 0 0 484.574 2.954 40 0 JFABRN CC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C[C@@H]2COCCO2)cc1 ZINC000001335253 194093988 /nfs/dbraw/zinc/09/39/88/194093988.db2.gz HIQGLNCSRWWFAQ-JOCHJYFZSA-N 0 0 484.574 2.954 40 0 JFABRN COc1ccc(CCn2nnnc2[C@@H](c2ccc(C)cc2)N2CCC(C(N)=O)CC2)cc1OC ZINC000001353726 194100150 /nfs/dbraw/zinc/10/01/50/194100150.db2.gz MCBBBQGJTADRBR-HSZRJFAPSA-N 0 0 464.570 2.528 40 0 JFABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCOCC1 ZINC000001340172 194097759 /nfs/dbraw/zinc/09/77/59/194097759.db2.gz FRYHQIRMNJSEFZ-QGZVFWFLSA-N 0 0 450.564 2.965 40 0 JFABRN COc1cccc(OC)c1C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[nH]2)C1 ZINC000001334265 194092853 /nfs/dbraw/zinc/09/28/53/194092853.db2.gz JYENWYMAVPUZMH-GOSISDBHSA-N 0 0 488.548 2.908 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1Cc1ccco1)C1CCCC1)OCCO3 ZINC000001373972 194107960 /nfs/dbraw/zinc/10/79/60/194107960.db2.gz JGXTWDPLHZCOSK-UHFFFAOYSA-N 0 0 462.510 2.872 40 0 JFABRN COc1c(OC(C)=O)c(OC(C)=O)cc2c1-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000001612026 194129272 /nfs/dbraw/zinc/12/92/72/194129272.db2.gz JOXUTUJJDZMYKT-GOSISDBHSA-N 0 0 455.463 2.705 40 0 JFABRN CC(=O)Nc1ccc(/C=c2\sc3nnc(CCC(=O)Nc4ccccc4Cl)n3c2=O)cc1 ZINC000001624126 194129801 /nfs/dbraw/zinc/12/98/01/194129801.db2.gz GMFKWGHTOCXOHC-PDGQHHTCSA-N 0 0 467.938 2.882 40 0 JFABRN CCOC(=O)C1=C2c3ccccc3N[C@H]2N(C(=O)OCC)N(C(=O)OCC)[C@H]1C(=O)OCC ZINC000001709035 194131925 /nfs/dbraw/zinc/13/19/25/194131925.db2.gz UYHFUNJCLNLAEO-MSOLQXFVSA-N 0 0 461.471 2.532 40 0 JFABRN COCC(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)NC1CCCC1 ZINC000003841098 194363269 /nfs/dbraw/zinc/36/32/69/194363269.db2.gz RLLXFJNKQXUENW-FJPMOXAOSA-N 0 0 479.643 2.592 40 0 biogenic,in-vitro JFABRN CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1=O ZINC000003841394 194363469 /nfs/dbraw/zinc/36/34/69/194363469.db2.gz LKVRSQHIHUDCHC-UONOGXRCSA-N 0 0 455.458 2.634 40 0 biogenic,in-vitro JFABRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004091992 194376790 /nfs/dbraw/zinc/37/67/90/194376790.db2.gz DHMXCBJBWFRHFB-SFHVURJKSA-N 0 0 481.615 2.900 40 0 aggregator JFABRN CCc1c(C)nc2ncnn2c1N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000004093122 194377065 /nfs/dbraw/zinc/37/70/65/194377065.db2.gz HLGLWUKRNHZAOX-UHFFFAOYSA-N 0 0 451.550 2.699 40 0 JFABRN C[C@@]1(CO)[C@H](OC(=O)Nc2cccc(F)c2)CC[C@@]2(C)[C@H](CC(=O)N3CC[C@@H](O)C3)[C@H](O)CC[C@H]12 ZINC000004236748 194385725 /nfs/dbraw/zinc/38/57/25/194385725.db2.gz HNWPXDZJVCIFDF-MMDBKIRASA-N 0 0 492.588 2.912 40 0 biogenic,in-vitro JFABRN O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3cnccn3)CO[C@H]12 ZINC000004259126 194386419 /nfs/dbraw/zinc/38/64/19/194386419.db2.gz KGPZXOSXJVUYEM-DXBBTUNJSA-N 0 0 462.462 2.782 40 0 biogenic,in-vitro JFABRN CC(C)[C@@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000004388824 194388877 /nfs/dbraw/zinc/38/88/77/194388877.db2.gz RUVCSDIPXINFSD-REWPJTCUSA-N 0 0 497.633 2.585 40 0 JFABRN CCC[C@@H](C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000004400528 194389114 /nfs/dbraw/zinc/38/91/14/194389114.db2.gz LMAVNIGBPQYFML-IRLDBZIGSA-N 0 0 497.633 2.729 40 0 JFABRN O=C(OC[C@@H](O)[C@H](OC(=O)c1ccccc1)[C@@H](CO)OC(=O)c1ccccc1)c1ccccc1 ZINC000005341336 194404573 /nfs/dbraw/zinc/40/45/73/194404573.db2.gz IAFOPYWMWUXJTB-ZLNRFVROSA-N 0 0 464.470 2.648 40 0 JFABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000006600938 194433001 /nfs/dbraw/zinc/43/30/01/194433001.db2.gz FCXSBDXEXLFEOE-ZDUSSCGKSA-N 0 0 459.572 2.707 40 0 JFABRN CCC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006500945 194429279 /nfs/dbraw/zinc/42/92/79/194429279.db2.gz LRYIBPCXMDZFNX-HNNXBMFYSA-N 0 0 461.588 2.559 40 0 JFABRN CCCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000012639229 195069328 /nfs/dbraw/zinc/06/93/28/195069328.db2.gz SJUVHWUQNPWBGZ-UHFFFAOYSA-N 0 0 481.384 2.507 40 0 JFABRN O=C(NC1CCCC1)C(=O)N(Cc1ccco1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000012640867 195070501 /nfs/dbraw/zinc/07/05/01/195070501.db2.gz PZZPLVXZBLGQCZ-RBBKRZOGSA-N 0 0 453.539 2.704 40 0 JFABRN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(CC(=O)NC2CCCC2)Cc2ccc(F)cc2)cc1 ZINC000012644975 195073732 /nfs/dbraw/zinc/07/37/32/195073732.db2.gz OBQBTHLLALVLRV-SFHVURJKSA-N 0 0 475.586 2.889 40 0 JFABRN CCCNC(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1 ZINC000012645480 195073974 /nfs/dbraw/zinc/07/39/74/195073974.db2.gz JJPAYKHLKUDFJH-UHFFFAOYSA-N 0 0 452.583 2.895 40 0 JFABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000012710303 195094408 /nfs/dbraw/zinc/09/44/08/195094408.db2.gz ZCLLFVSMBVVZSD-FTDQSSOUSA-N 0 0 467.607 2.977 40 0 JFABRN COc1cccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000012701607 195091540 /nfs/dbraw/zinc/09/15/40/195091540.db2.gz UDRNZZDQYMCKRD-MRXNPFEDSA-N 0 0 466.517 2.968 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCO)[C@@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)o1 ZINC000012701921 195091647 /nfs/dbraw/zinc/09/16/47/195091647.db2.gz KEGZAFLXZCVWFU-HSZRJFAPSA-N 0 0 480.569 2.561 40 0 JFABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@@H](C)C(=O)NC2CCCC2)cc1OC ZINC000012701698 195091672 /nfs/dbraw/zinc/09/16/72/195091672.db2.gz AUCOXOVJVJIKBD-INIZCTEOSA-N 0 0 496.543 2.977 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(CCO)[C@@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1 ZINC000012702280 195091858 /nfs/dbraw/zinc/09/18/58/195091858.db2.gz IAKWCNSSDFNQPR-OAQYLSRUSA-N 0 0 486.960 2.516 40 0 JFABRN COc1cccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)c1 ZINC000012705077 195092450 /nfs/dbraw/zinc/09/24/50/195092450.db2.gz ZFMBJHGYPOCMQN-UHFFFAOYSA-N 0 0 452.515 2.732 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000012705006 195092493 /nfs/dbraw/zinc/09/24/93/195092493.db2.gz DSYNIHCDWALIGW-UHFFFAOYSA-N 0 0 496.543 2.979 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCc3ccccc3)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000012705708 195092806 /nfs/dbraw/zinc/09/28/06/195092806.db2.gz RTYHTCXNIBIABA-UHFFFAOYSA-N 0 0 498.543 2.769 40 0 JFABRN CCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C[C@H]1CCCO1 ZINC000012706635 195092957 /nfs/dbraw/zinc/09/29/57/195092957.db2.gz CJSXAFPVWAIECU-QGZVFWFLSA-N 0 0 480.612 2.564 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000012708692 195093809 /nfs/dbraw/zinc/09/38/09/195093809.db2.gz YJWNMCAMQTTZML-KNTRGWTASA-N 0 0 461.559 2.849 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)C1CCCC1 ZINC000012709465 195094075 /nfs/dbraw/zinc/09/40/75/195094075.db2.gz SNYPRKHCNLAHBP-KNTRGWTASA-N 0 0 465.591 2.731 40 0 JFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1 ZINC000012711228 195095275 /nfs/dbraw/zinc/09/52/75/195095275.db2.gz KBDDWHRCDNJBDA-HNAYVOBHSA-N 0 0 499.618 2.877 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1N ZINC000012711180 195095336 /nfs/dbraw/zinc/09/53/36/195095336.db2.gz CQBKQTNTHHFVDQ-RDTXWAMCSA-N 0 0 485.591 2.569 40 0 JFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1 ZINC000012711224 195095338 /nfs/dbraw/zinc/09/53/38/195095338.db2.gz YUIGKMMJXLAFOB-BEFAXECRSA-N 0 0 499.618 2.877 40 0 JFABRN Cn1c(SCCOc2ccccc2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012716397 195097182 /nfs/dbraw/zinc/09/71/82/195097182.db2.gz NYOVKKMAMDAIEY-UHFFFAOYSA-N 0 0 460.581 2.674 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000020609308 195182467 /nfs/dbraw/zinc/18/24/67/195182467.db2.gz XUIQWIMTXIPKGN-ZRELAVNMSA-N 0 0 480.542 2.521 40 0 JFABRN Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 ZINC000020674101 195199084 /nfs/dbraw/zinc/19/90/84/195199084.db2.gz QUVGPILAUHLEPG-GOSISDBHSA-N 0 0 460.494 2.752 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000020802450 195227391 /nfs/dbraw/zinc/22/73/91/195227391.db2.gz KQFAEYZCVZTHMX-WOJBJXKFSA-N 0 0 483.521 2.824 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2cc3cc(CC)ccc3[nH]c2=O)CC1 ZINC000057589558 195351410 /nfs/dbraw/zinc/35/14/10/195351410.db2.gz ZOKDSRGHKXUCPK-REWPJTCUSA-N 0 0 494.596 2.621 40 0 JFABRN Cc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)c(=O)[nH]c2cc1C ZINC000057589938 195351644 /nfs/dbraw/zinc/35/16/44/195351644.db2.gz OCSAPAGHQVEJIV-HSZRJFAPSA-N 0 0 462.529 2.865 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C2CCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000057595184 195352398 /nfs/dbraw/zinc/35/23/98/195352398.db2.gz ICKPTEUDMYDCSQ-JOCHJYFZSA-N 0 0 494.552 2.723 40 0 JFABRN COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCC(O)CC3)c(=O)[nH]c2cc1OC ZINC000057594953 195352444 /nfs/dbraw/zinc/35/24/44/195352444.db2.gz DWMQIXPWPMCOCI-QFIPXVFZSA-N 0 0 468.558 2.583 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000057607987 195353156 /nfs/dbraw/zinc/35/31/56/195353156.db2.gz DHVQORLMGAADNF-OAQYLSRUSA-N 0 0 464.526 2.888 40 0 JFABRN CC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000057671678 195357223 /nfs/dbraw/zinc/35/72/23/195357223.db2.gz OVBXTTODAYZFDG-NRFANRHFSA-N 0 0 458.563 2.825 40 0 JFABRN COc1cccc(CC(=O)N2CCC[C@H]2Cn2nc(-c3ccc4c(c3)OCCO4)ccc2=O)c1 ZINC000057730721 195358874 /nfs/dbraw/zinc/35/88/74/195358874.db2.gz IAGAVNZYTXBJLC-FQEVSTJZSA-N 0 0 461.518 2.924 40 0 JFABRN CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C[C@H]1NC(=O)c2cc(OC)ccc21 ZINC000057730774 195358908 /nfs/dbraw/zinc/35/89/08/195358908.db2.gz JHJAKKJOYRMGRH-AUUYWEPGSA-N 0 0 452.536 2.750 40 0 JFABRN CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000057730880 195358935 /nfs/dbraw/zinc/35/89/35/195358935.db2.gz IBCBGHHAYHIAMC-OAHLLOKOSA-N 0 0 465.460 2.563 40 0 JFABRN COc1ccc(CN2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1CN1CCOCC1 ZINC000057731368 195359169 /nfs/dbraw/zinc/35/91/69/195359169.db2.gz ZOIMVGOJMGTXEK-UHFFFAOYSA-N 0 0 467.614 2.818 40 0 JFABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4nsnc4c3)cc2)CC1 ZINC000059294085 195396826 /nfs/dbraw/zinc/39/68/26/195396826.db2.gz PLYDCNPKIGDKAN-UHFFFAOYSA-N 0 0 454.581 2.877 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224857221 195468386 /nfs/dbraw/zinc/46/83/86/195468386.db2.gz NBJSQVAWMGRGPD-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCOc1ccc(N2C[C@H](O)Cn3c2nc2c3c(=O)n(Cc3c(F)cccc3Cl)c(=O)n2C)cc1 ZINC000096306490 130056864 /nfs/dbraw/zinc/05/68/64/130056864.db2.gz XZZNHTFFSUFGGC-HNNXBMFYSA-N 0 0 499.930 2.649 40 0 JFABRN CCOc1ccc(N2C[C@@H](O)Cn3c2nc2c3c(=O)n(Cc3c(F)cccc3Cl)c(=O)n2C)cc1 ZINC000096306491 130056928 /nfs/dbraw/zinc/05/69/28/130056928.db2.gz XZZNHTFFSUFGGC-OAHLLOKOSA-N 0 0 499.930 2.649 40 0 JFABRN O=C(COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)N=c1sccn1Cc1ccccc1Cl ZINC000102907447 130384647 /nfs/dbraw/zinc/38/46/47/130384647.db2.gz VEWAJXSGLMGHTH-RWEWTDSWSA-N 0 0 498.948 2.587 40 0 JFABRN COCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3[C@H]2C1=O ZINC000103458774 130636133 /nfs/dbraw/zinc/63/61/33/130636133.db2.gz KGIUARDSEPWGMX-XRXFAXGQSA-N 0 0 451.910 2.810 40 0 JFABRN CC(C)CCNC(=O)[C@H](C)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006134342 519660688 /nfs/dbraw/zinc/66/06/88/519660688.db2.gz KHZFEVVNPWAYMO-KRWDZBQOSA-N 0 0 496.543 2.788 40 0 JFABRN CC(C)CCNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(O)c1 ZINC000006134536 519660969 /nfs/dbraw/zinc/66/09/69/519660969.db2.gz HMHCZBMYFSNWOB-FQEVSTJZSA-N 0 0 497.577 2.786 40 0 JFABRN CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013564849 519687483 /nfs/dbraw/zinc/68/74/83/519687483.db2.gz NECNPELLJPEFCB-NRFANRHFSA-N 0 0 499.967 2.635 40 0 JFABRN CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000013565708 519699066 /nfs/dbraw/zinc/69/90/66/519699066.db2.gz QDXKBISYMFMYNC-XMMPIXPASA-N 0 0 497.592 2.996 40 0 JFABRN CC(C)NC(=O)CCn1c2nnc(SCC(=O)N(C)c3ccccc3)n2c2ccccc2c1=O ZINC000033292022 519704492 /nfs/dbraw/zinc/70/44/92/519704492.db2.gz ODZHZVSOFCKVHE-UHFFFAOYSA-N 0 0 478.578 2.714 40 0 JFABRN CC(C)CNC(=O)CCn1c2nnc(SCC(=O)NCc3cccs3)n2c2ccccc2c1=O ZINC000033170001 519733673 /nfs/dbraw/zinc/73/36/73/519733673.db2.gz JKNYOIOJNPHNQF-UHFFFAOYSA-N 0 0 498.634 2.677 40 0 JFABRN CCN(CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929978 520347419 /nfs/dbraw/zinc/34/74/19/520347419.db2.gz AMUFEIPHKKMUEC-MRXNPFEDSA-N 0 0 450.557 2.909 40 0 JFABRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020245353 520687428 /nfs/dbraw/zinc/68/74/28/520687428.db2.gz SRYHVVYYZYGBGZ-UHFFFAOYSA-N 0 0 450.536 2.607 40 0 JFABRN CCOc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(OC)cc2)ccc1O ZINC000004388724 520785244 /nfs/dbraw/zinc/78/52/44/520785244.db2.gz KGUWKAPJHDUIMD-HLIPFELVSA-N 0 0 454.401 2.903 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000014795428 520793943 /nfs/dbraw/zinc/79/39/43/520793943.db2.gz USVXYLRMBSFCOG-UHFFFAOYSA-N 0 0 481.640 2.847 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 ZINC000019867455 520800250 /nfs/dbraw/zinc/80/02/50/520800250.db2.gz XJIQVZVULUTDKO-UHFFFAOYSA-N 0 0 496.655 2.585 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000022523446 520804602 /nfs/dbraw/zinc/80/46/02/520804602.db2.gz YJYVBUPSQCEJNR-UHFFFAOYSA-N 0 0 481.596 2.653 40 0 JFABRN CCOc1ccc(C(=O)N2CCN(c3nc(CC)nc4c(C)nn(C)c43)CC2)cc1OCC ZINC000028557591 520898351 /nfs/dbraw/zinc/89/83/51/520898351.db2.gz IYMZWFQOJLRWBR-UHFFFAOYSA-N 0 0 452.559 2.994 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000008617362 520919901 /nfs/dbraw/zinc/91/99/01/520919901.db2.gz PHMQRVSWXLAVOU-UHFFFAOYSA-N 0 0 490.564 2.851 40 0 JFABRN CCOC(=O)Cn1nc2oc(=O)c(CCN3CCN(c4ccccc4OC)CC3)c(C)c2c1C ZINC000005460066 520921340 /nfs/dbraw/zinc/92/13/40/520921340.db2.gz WWZNEVRKXCRHLH-UHFFFAOYSA-N 0 0 468.554 2.543 40 0 JFABRN CCOc1ccc(N([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000030757339 521030622 /nfs/dbraw/zinc/03/06/22/521030622.db2.gz HNROHFLUXFLXQX-INIZCTEOSA-N 0 0 450.557 2.916 40 0 JFABRN CCOc1ccc(NC(=O)Cn2c3ccc(S(=O)(=O)N4CCCCC4)cc3oc2=O)cc1 ZINC000027915141 521076256 /nfs/dbraw/zinc/07/62/56/521076256.db2.gz ZGPOTURNQQEXFA-UHFFFAOYSA-N 0 0 459.524 2.807 40 0 JFABRN CCOC(=O)[C@@H]1C(c2ccc(C)cc2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F ZINC000013407956 521093123 /nfs/dbraw/zinc/09/31/23/521093123.db2.gz QANCMLFPWRPMBF-VSWQYFQMSA-N 0 0 487.393 2.542 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000016692424 521184900 /nfs/dbraw/zinc/18/49/00/521184900.db2.gz DQRSIGLJAMWUBU-UHFFFAOYSA-N 0 0 466.003 2.704 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000016692429 521185322 /nfs/dbraw/zinc/18/53/22/521185322.db2.gz QLPIIKUTOLKBDU-UHFFFAOYSA-N 0 0 469.966 2.847 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCCc3ccc(OC)c(OC)c3)cc2c1 ZINC000006196640 521283500 /nfs/dbraw/zinc/28/35/00/521283500.db2.gz ISFIBFHSKDGWOG-UHFFFAOYSA-N 0 0 485.606 2.856 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c(Cl)c1 ZINC000020452126 521496778 /nfs/dbraw/zinc/49/67/78/521496778.db2.gz OZMYTYOCQOENHW-UHFFFAOYSA-N 0 0 454.932 2.926 40 0 JFABRN CCOc1ccccc1N1C(=O)C[C@H](N2CCC(n3nnc(-c4cccs4)n3)CC2)C1=O ZINC000018088196 521514887 /nfs/dbraw/zinc/51/48/87/521514887.db2.gz MSTDQYQZGXEQQZ-KRWDZBQOSA-N 0 0 452.540 2.769 40 0 JFABRN COc1c2c(c(C)c3c1C[C@H]1[C@@]4(C)CCC(=O)OC(C)(C)[C@@]4(O)[C@@H](O)C[C@]1(C)O3)COC2=O ZINC000035455488 521884176 /nfs/dbraw/zinc/88/41/76/521884176.db2.gz ZVTVYIVILDSYIK-SLZRTLGMSA-N 0 0 460.523 2.601 40 0 biogenic,in-vitro JFABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccccc1F ZINC000020493611 521958511 /nfs/dbraw/zinc/95/85/11/521958511.db2.gz NKMJKCQUTILNOI-UHFFFAOYSA-N 0 0 477.299 2.682 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000020083336 522154521 /nfs/dbraw/zinc/15/45/21/522154521.db2.gz FEUQWWFDUQHZND-XMMPIXPASA-N 0 0 473.581 2.689 40 0 JFABRN COc1cc(C(=O)Nn2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc(OC)c1OC ZINC000040391038 522166447 /nfs/dbraw/zinc/16/64/47/522166447.db2.gz GCSIKXKGBCEZLT-UHFFFAOYSA-N 0 0 486.488 2.824 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3ccccc3OC)nnc1n(C)c2=O ZINC000033256768 522220415 /nfs/dbraw/zinc/22/04/15/522220415.db2.gz CYTJXGZAVLNNRJ-CQSZACIVSA-N 0 0 494.577 2.849 40 0 JFABRN COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(C(C)=O)cc4)CO[C@H]23)c1 ZINC000004147434 522240395 /nfs/dbraw/zinc/24/03/95/522240395.db2.gz NUFWZFJLUYCSAD-DOIPELPJSA-N 0 0 499.545 2.746 40 0 biogenic,in-vitro JFABRN COc1cc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)ccc1OC(C)C ZINC000044947237 522411942 /nfs/dbraw/zinc/41/19/42/522411942.db2.gz KYDSZKZCIWRHPR-UHFFFAOYSA-N 0 0 453.536 2.551 40 0 JFABRN COC(=O)c1sc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)c(C(N)=O)c1C ZINC000002745603 522428281 /nfs/dbraw/zinc/42/82/81/522428281.db2.gz JBTVHIJOCWEHNI-UHFFFAOYSA-N 0 0 467.301 2.795 40 0 JFABRN CCc1nnc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)o2)s1 ZINC000006878213 522764022 /nfs/dbraw/zinc/76/40/22/522764022.db2.gz SUNUAYBCIZERGA-UHFFFAOYSA-N 0 0 482.613 2.912 40 0 JFABRN COc1cc(OC)cc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 ZINC000044950084 522869858 /nfs/dbraw/zinc/86/98/58/522869858.db2.gz ISFNNAFHKCZQAV-UHFFFAOYSA-N 0 0 450.513 2.514 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@H](C)C(=O)NC(C)(C)C)n2)cc1OC ZINC000012476439 523268940 /nfs/dbraw/zinc/26/89/40/523268940.db2.gz ICZOGBQFWFYODX-QGZVFWFLSA-N 0 0 480.569 2.689 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3ccc(F)cc3)n2)cc1OC ZINC000012480271 523270065 /nfs/dbraw/zinc/27/00/65/523270065.db2.gz OIYFUFGZZYTGMI-UHFFFAOYSA-N 0 0 496.543 2.584 40 0 JFABRN COc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000014291887 523651431 /nfs/dbraw/zinc/65/14/31/523651431.db2.gz BDLCHYUSXACDEE-UHFFFAOYSA-N 0 0 494.013 2.640 40 0 JFABRN CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCN(CCN2CCOCC2)CC1 ZINC000022797713 523712784 /nfs/dbraw/zinc/71/27/84/523712784.db2.gz NCMYNTLEKUREPY-UHFFFAOYSA-N 0 0 494.640 2.739 40 0 JFABRN CC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)N(c1ccccc1)S(C)(=O)=O ZINC000020460490 523797680 /nfs/dbraw/zinc/79/76/80/523797680.db2.gz PZHCPSPFLRBNQH-HXUWFJFHSA-N 0 0 495.623 2.663 40 0 JFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NCCOC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013686624 523804423 /nfs/dbraw/zinc/80/44/23/523804423.db2.gz HWIJVIZSTSGITE-OAQYLSRUSA-N 0 0 461.584 2.863 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000020007251 523850039 /nfs/dbraw/zinc/85/00/39/523850039.db2.gz STTFUSLLOSRTOB-FQEVSTJZSA-N 0 0 482.558 2.938 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000020007224 523850859 /nfs/dbraw/zinc/85/08/59/523850859.db2.gz WBWZUIOXJJLIIE-HXUWFJFHSA-N 0 0 467.547 2.631 40 0 JFABRN COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)COc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466899 523909147 /nfs/dbraw/zinc/90/91/47/523909147.db2.gz CTMURMICMBIOKQ-UXSJUTMFSA-N 0 0 460.615 2.772 40 0 biogenic,in-vitro JFABRN COCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019868108 523929178 /nfs/dbraw/zinc/92/91/78/523929178.db2.gz VMZIYYSXLCAORZ-UHFFFAOYSA-N 0 0 494.013 2.897 40 0 JFABRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccco2)cc1 ZINC000006843626 523956293 /nfs/dbraw/zinc/95/62/93/523956293.db2.gz RLHZYLJDAVOZOG-OXQOHEQNSA-N 0 0 497.577 2.663 40 0 JFABRN COc1ccc(CNC(=O)[C@@H](C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(Cl)cc2)cc1 ZINC000012472544 524062192 /nfs/dbraw/zinc/06/21/92/524062192.db2.gz SGPMRLRIZQXPQE-GFCCVEGCSA-N 0 0 487.969 2.838 40 0 JFABRN COc1ccc(CNC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1OC ZINC000044904017 524063873 /nfs/dbraw/zinc/06/38/73/524063873.db2.gz QSEYKJUWNUIULK-ZDUSSCGKSA-N 0 0 456.948 2.837 40 0 JFABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)c1 ZINC000020461210 524160365 /nfs/dbraw/zinc/16/03/65/524160365.db2.gz AVXHOQIWMKSTIH-GOSISDBHSA-N 0 0 494.639 2.561 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000016187648 524325258 /nfs/dbraw/zinc/32/52/58/524325258.db2.gz BBHJYXBXSHRZMM-UHFFFAOYSA-N 0 0 489.491 2.822 40 0 JFABRN COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 ZINC000043751633 524357801 /nfs/dbraw/zinc/35/78/01/524357801.db2.gz XWGRQIXELKGBIL-ZWKOTPCHSA-N 0 0 479.558 2.917 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)cc1Cl ZINC000020039695 524361663 /nfs/dbraw/zinc/36/16/63/524361663.db2.gz TZOYSBZZFHUZQL-UHFFFAOYSA-N 0 0 462.959 2.925 40 0 JFABRN Cc1cc(C)cc(NC(=S)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2nnnc2Oc2cccc(N(C)C)c2)c1 ZINC000004147721 524436570 /nfs/dbraw/zinc/43/65/70/524436570.db2.gz GJHHJTNBAFGUKD-FNAHDJPLSA-N 0 0 495.609 2.842 40 0 biogenic,in-vitro JFABRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c(OC)c1 ZINC000038556587 524471322 /nfs/dbraw/zinc/47/13/22/524471322.db2.gz AZGIGMNIAFPERI-UHFFFAOYSA-N 0 0 464.540 2.760 40 0 JFABRN COc1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(C(C)=O)cc4)CO[C@H]23)cc1 ZINC000004235824 524577871 /nfs/dbraw/zinc/57/78/71/524577871.db2.gz FLVOCDXLYDNJLR-DOIPELPJSA-N 0 0 455.467 2.803 40 0 biogenic,in-vitro JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000020450592 525031135 /nfs/dbraw/zinc/03/11/35/525031135.db2.gz PTZXSAOMPUFFNU-SFHVURJKSA-N 0 0 462.568 2.772 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000020457026 525051217 /nfs/dbraw/zinc/05/12/17/525051217.db2.gz KSUDBYKVSXYHTC-UHFFFAOYSA-N 0 0 497.639 2.910 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000044903134 525053482 /nfs/dbraw/zinc/05/34/82/525053482.db2.gz ZLGCVIHKMBMPNS-UHFFFAOYSA-N 0 0 495.623 2.560 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(N)=O)cc2)cc1C ZINC000020008993 525074855 /nfs/dbraw/zinc/07/48/55/525074855.db2.gz NGHQFVXMWUDCTG-OAQYLSRUSA-N 0 0 467.547 2.631 40 0 JFABRN Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC2CCCC2)c2cccc(F)c2)cc1 ZINC000012472966 525094294 /nfs/dbraw/zinc/09/42/94/525094294.db2.gz JXQRPPMLRCJZDB-MGBGTMOVSA-N 0 0 473.570 2.913 40 0 JFABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000022517591 525106951 /nfs/dbraw/zinc/10/69/51/525106951.db2.gz WKEHDFKJKKWIEA-HNNXBMFYSA-N 0 0 496.607 2.853 40 0 JFABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000020040842 525107762 /nfs/dbraw/zinc/10/77/62/525107762.db2.gz WPBPTMBFXZHGNF-HNNXBMFYSA-N 0 0 466.581 2.844 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1 ZINC000020492300 525152861 /nfs/dbraw/zinc/15/28/61/525152861.db2.gz DHYVIQDZEPUAGB-UHFFFAOYSA-N 0 0 466.357 2.981 40 0 JFABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1Cl ZINC000020454995 525218325 /nfs/dbraw/zinc/21/83/25/525218325.db2.gz FVLWZMZYFIOCEM-CQSZACIVSA-N 0 0 451.932 2.873 40 0 JFABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 ZINC000020481603 525218787 /nfs/dbraw/zinc/21/87/87/525218787.db2.gz ORILXXZVJXAAFK-CQSZACIVSA-N 0 0 451.932 2.873 40 0 JFABRN COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1 ZINC000020023145 525307884 /nfs/dbraw/zinc/30/78/84/525307884.db2.gz QIUFCIYCKRHNHL-HNNXBMFYSA-N 0 0 468.959 2.626 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(C[C@@H]2CCCO2)[C@H](C(=O)NC2CCCCC2)C(C)C)cc1 ZINC000013502885 525564665 /nfs/dbraw/zinc/56/46/65/525564665.db2.gz WTFZHIJHFJFHGL-URXFXBBRSA-N 0 0 493.670 2.754 40 0 JFABRN C[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033938519 526191740 /nfs/dbraw/zinc/19/17/40/526191740.db2.gz IKZIMWVZZMEZAT-HNAYVOBHSA-N 0 0 478.509 2.779 40 0 JFABRN Cc1ccc2cc(CN(CCCN3CCOCC3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1C ZINC000019823500 526229321 /nfs/dbraw/zinc/22/93/21/526229321.db2.gz AIXSJNQFLOJKQJ-QFIPXVFZSA-N 0 0 472.655 2.723 40 0 JFABRN O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@@H]13)O2 ZINC000043746728 526395269 /nfs/dbraw/zinc/39/52/69/526395269.db2.gz TYISQZWULVEIOK-PFMZIPKWSA-N 0 0 457.486 2.542 40 0 JFABRN O=C([C@@H](O)c1ccccc1)N1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]2C1 ZINC000004235987 526451668 /nfs/dbraw/zinc/45/16/68/526451668.db2.gz LDHVHOOCONQMNP-PKTZIBPZSA-N 0 0 459.477 2.831 40 0 biogenic,in-vitro JFABRN O=C(CN(Cc1ccc(Cl)cc1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1 ZINC000013503358 526699409 /nfs/dbraw/zinc/69/94/09/526699409.db2.gz GLGVPDDTYUUVRC-UHFFFAOYSA-N 0 0 475.954 2.557 40 0 JFABRN O=C(NCc1ccccc1-n1ccnc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000022532250 526741858 /nfs/dbraw/zinc/74/18/58/526741858.db2.gz KENWIZLTTVMPFG-UHFFFAOYSA-N 0 0 456.543 2.870 40 0 JFABRN O=C(c1ccco1)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000016092365 526830279 /nfs/dbraw/zinc/83/02/79/526830279.db2.gz JUCMZFMXRLGIQW-UHFFFAOYSA-N 0 0 478.162 2.951 40 0 JFABRN Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000004411627 527082145 /nfs/dbraw/zinc/08/21/45/527082145.db2.gz QELTZFHOJUGTRT-UHFFFAOYSA-N 0 0 477.637 2.737 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccc(O)cc2)c1N ZINC000012474214 527105982 /nfs/dbraw/zinc/10/59/82/527105982.db2.gz CVILMJKCLJAHKW-FQEVSTJZSA-N 0 0 479.562 2.977 40 0 JFABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc2c1nnn2Cc1cccc(F)c1 ZINC000006173209 527287319 /nfs/dbraw/zinc/28/73/19/527287319.db2.gz HMDNQLQKIVEWKA-UHFFFAOYSA-N 0 0 468.514 2.683 40 0 JFABRN O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000006161894 527290047 /nfs/dbraw/zinc/29/00/47/527290047.db2.gz KUXUIXQTSBIRKO-OAHLLOKOSA-N 0 0 486.504 2.822 40 0 JFABRN O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(c3ccccc3)CC2)[C@H]1O ZINC000012489779 527331394 /nfs/dbraw/zinc/33/13/94/527331394.db2.gz DFRFPOHCFVWDOW-CSEOROSGSA-N 0 0 492.498 2.502 40 0 biogenic,in-vitro JFABRN Cc1nccn1-c1ccccc1CNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000044839829 527384534 /nfs/dbraw/zinc/38/45/34/527384534.db2.gz NBHXHYTWFWBOBO-UHFFFAOYSA-N 0 0 455.584 2.727 40 0 JFABRN O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000027976968 527408660 /nfs/dbraw/zinc/40/86/60/527408660.db2.gz HZANPMXKAYMGNB-QGZVFWFLSA-N 0 0 491.997 2.852 40 0 JFABRN O=C(Cn1nnc2ccccc21)N(C[C@@H]1CCCO1)[C@@H](C(=O)NCc1ccco1)c1ccco1 ZINC000013502432 527430253 /nfs/dbraw/zinc/43/02/53/527430253.db2.gz GAOUSDYBDHKYRX-FDDCHVKYSA-N 0 0 463.494 2.683 40 0 JFABRN O=C(Cn1nnc2ccccc21)N(C[C@H]1CCCO1)[C@H](C(=O)NCc1ccco1)c1ccco1 ZINC000013502435 527431397 /nfs/dbraw/zinc/43/13/97/527431397.db2.gz GAOUSDYBDHKYRX-JPYJTQIMSA-N 0 0 463.494 2.683 40 0 JFABRN OC[C@@H]1O[C@H](CN(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)[C@@H](N2CCOCC2)[C@@H]1O ZINC000020464668 527599400 /nfs/dbraw/zinc/59/94/00/527599400.db2.gz HWXRRDSFYHWXRZ-UEQSERJNSA-N 0 0 481.420 2.817 40 0 biogenic,in-vitro JFABRN O=C([O-])C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)C[C@@H]1CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012480892 527630627 /nfs/dbraw/zinc/63/06/27/527630627.db2.gz DRNFAETXNKINPF-JYAXBFRTSA-N 0 0 499.011 2.959 40 0 biogenic,in-vitro JFABRN O=C(CNS(=O)(=O)c1ccc(I)cc1)NC1CCCCCCC1 ZINC000000634691 553720457 /nfs/dbraw/zinc/72/04/57/553720457.db2.gz NKMDFFQXGIGXJP-UHFFFAOYSA-N 0 0 450.342 2.799 40 0 JFABRN Cc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)cc1 ZINC000000798882 553783290 /nfs/dbraw/zinc/78/32/90/553783290.db2.gz FSPNRYWOOZEKQT-UHFFFAOYSA-N 0 0 467.526 2.660 40 0 JFABRN COc1ccc(C=O)cc1CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000000798911 553783352 /nfs/dbraw/zinc/78/33/52/553783352.db2.gz LWQFURVXSPRXHM-UHFFFAOYSA-N 0 0 468.510 2.735 40 0 JFABRN Cc1ccc(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)cc1 ZINC000000798893 553783360 /nfs/dbraw/zinc/78/33/60/553783360.db2.gz CDARHYYBBVODIZ-UHFFFAOYSA-N 0 0 452.511 2.905 40 0 JFABRN COc1ccc2cc(CN(CCCN3CCOCC3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 ZINC000000879713 553816131 /nfs/dbraw/zinc/81/61/31/553816131.db2.gz DJIVLVPWARCQMW-UHFFFAOYSA-N 0 0 470.595 2.729 40 0 JFABRN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(NS(C)(=O)=O)cc2)n1C ZINC000000882615 553819338 /nfs/dbraw/zinc/81/93/38/553819338.db2.gz QIOQNTASDAXKJP-UHFFFAOYSA-N 0 0 461.569 2.983 40 0 JFABRN COc1cc2cc(CN(C[C@@H]3CCCO3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1OC ZINC000000895647 553831896 /nfs/dbraw/zinc/83/18/96/553831896.db2.gz ZJRKYMMBMGNYHK-ROUUACIJSA-N 0 0 461.584 2.580 40 0 JFABRN COc1cc2cc(CN(C[C@@H]3CCCO3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2cc1OC ZINC000000895631 553831899 /nfs/dbraw/zinc/83/18/99/553831899.db2.gz ZJRKYMMBMGNYHK-MSOLQXFVSA-N 0 0 461.584 2.580 40 0 JFABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000000913873 553842854 /nfs/dbraw/zinc/84/28/54/553842854.db2.gz VVFOXNGFPREJRC-IBGZPJMESA-N 0 0 470.547 2.993 40 0 JFABRN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4F)n3)cc2)C1 ZINC000000922362 553856433 /nfs/dbraw/zinc/85/64/33/553856433.db2.gz QDHPUDXMXBDVJG-HNNXBMFYSA-N 0 0 458.519 2.539 40 0 aggregator JFABRN CCOC(=O)Cn1nnnc1CN(Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000927264 553864176 /nfs/dbraw/zinc/86/41/76/553864176.db2.gz WKDQIJAOMMCZTK-UHFFFAOYSA-N 0 0 466.567 2.958 40 0 JFABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000000930477 553868357 /nfs/dbraw/zinc/86/83/57/553868357.db2.gz CQINZRYPPQINEF-MRXNPFEDSA-N 0 0 475.574 2.552 40 0 JFABRN C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C ZINC000000931292 553869535 /nfs/dbraw/zinc/86/95/35/553869535.db2.gz CWPCRBGSJDTCMG-INIZCTEOSA-N 0 0 463.629 2.760 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C[C@H]2CCCO2)cc1 ZINC000000933206 553871857 /nfs/dbraw/zinc/87/18/57/553871857.db2.gz WLWAGRLTEZIQKX-QGZVFWFLSA-N 0 0 473.016 2.960 40 0 JFABRN O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)NCCCO ZINC000002195155 554088960 /nfs/dbraw/zinc/08/89/60/554088960.db2.gz YPPKYCXSMFRHQO-UHFFFAOYSA-N 0 0 475.792 2.792 40 0 JFABRN CCn1ncc(-c2ccnc3cc(C(=O)Nc4ccc(N5CCOCC5)c5nonc54)nn32)c1C ZINC000002798682 554351833 /nfs/dbraw/zinc/35/18/33/554351833.db2.gz CKOOUWWNRICFOV-UHFFFAOYSA-N 0 0 473.497 2.546 40 0 JFABRN CC(C)C(=O)OC[C@@H]1O[C@@H](n2cnc3c2nc[nH]c3=S)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C ZINC000004895990 554482841 /nfs/dbraw/zinc/48/28/41/554482841.db2.gz GCIQCTFDWHVXEW-QBWPOKONSA-N 0 0 494.570 2.721 40 0 JFABRN COc1ccc(NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccc(OC)cc3)n2)cc1 ZINC000005413715 554490364 /nfs/dbraw/zinc/49/03/64/554490364.db2.gz HZMSOXVLDNIKFK-MYDTUXCISA-N 0 0 477.521 2.929 40 0 biogenic,in-vitro JFABRN COc1cc([C@@H]2OC(=O)[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)OC(=O)[C@H]23)cc(OC)c1OC ZINC000005808584 554494186 /nfs/dbraw/zinc/49/41/86/554494186.db2.gz CXVHFGPMGPBZMK-MUGJNUQGSA-N 0 0 474.462 2.867 40 0 JFABRN CC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 ZINC000006075072 554502006 /nfs/dbraw/zinc/50/20/06/554502006.db2.gz QMIILCGEGNJFHX-INIZCTEOSA-N 0 0 459.503 2.859 40 0 JFABRN CC(C)CCNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(O)c1 ZINC000006134217 554505988 /nfs/dbraw/zinc/50/59/88/554505988.db2.gz HMHCZBMYFSNWOB-HXUWFJFHSA-N 0 0 497.577 2.786 40 0 JFABRN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccnc4)c(=O)n32)c1 ZINC000006242495 554521262 /nfs/dbraw/zinc/52/12/62/554521262.db2.gz PWUJGRYWKPMBJI-WYWXSHKMSA-N 0 0 479.558 2.599 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1N ZINC000006446477 554540729 /nfs/dbraw/zinc/54/07/29/554540729.db2.gz YSWAZXXBQJHSMR-LJQANCHMSA-N 0 0 464.551 2.666 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006488283 554545704 /nfs/dbraw/zinc/54/57/04/554545704.db2.gz XFMUERNMRGROMZ-YLVTVWEBSA-N 0 0 492.553 2.844 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000006545083 554549376 /nfs/dbraw/zinc/54/93/76/554549376.db2.gz ACJHALFTFXKSAP-JAORQVBISA-N 0 0 498.582 2.794 40 0 JFABRN CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2C[C@H]2CCCO2)n1 ZINC000006547361 554550043 /nfs/dbraw/zinc/55/00/43/554550043.db2.gz DAJJTCDAEBDBTM-MRXNPFEDSA-N 0 0 488.595 2.812 40 0 JFABRN CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000006600122 554554952 /nfs/dbraw/zinc/55/49/52/554554952.db2.gz GWCBKWVBGSMOER-LJQANCHMSA-N 0 0 491.589 2.632 40 0 JFABRN CC[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC ZINC000006631815 554557046 /nfs/dbraw/zinc/55/70/46/554557046.db2.gz VCWSWLRDENABMH-HNNXBMFYSA-N 0 0 489.598 2.716 40 0 JFABRN CC[C@H](C(=O)NCc1ccccc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 ZINC000006821241 554558278 /nfs/dbraw/zinc/55/82/78/554558278.db2.gz UDEKOWUOPBWQLD-QGZVFWFLSA-N 0 0 451.552 2.874 40 0 JFABRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCOC)c2ccc(F)cc2)cc1 ZINC000006822000 554558503 /nfs/dbraw/zinc/55/85/03/554558503.db2.gz CNPSDGLIZYTSKD-FQEVSTJZSA-N 0 0 499.568 2.676 40 0 JFABRN O=C1Nc2ccc(-c3ccccc3)cc2C(=O)N2CC[C@H](NS(=O)(=O)c3cccs3)[C@@H]12 ZINC000008296900 554565046 /nfs/dbraw/zinc/56/50/46/554565046.db2.gz WMWHSJGAXSMPNP-ICSRJNTNSA-N 0 0 453.545 2.929 40 0 biogenic,in-vitro JFABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CCSCC1)OCCO3 ZINC000008772716 554672550 /nfs/dbraw/zinc/67/25/50/554672550.db2.gz NHFBYJHPVMSGDX-HXUWFJFHSA-N 0 0 454.556 2.951 40 0 JFABRN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)CC1 ZINC000008810738 554691281 /nfs/dbraw/zinc/69/12/81/554691281.db2.gz GKKBXSVUVVWXMU-UHFFFAOYSA-N 0 0 453.467 2.680 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2nnnn2Cc2ccco2)cc1 ZINC000008828639 554719010 /nfs/dbraw/zinc/71/90/10/554719010.db2.gz AGIDUZMUWQLWDE-IHWFROFDSA-N 0 0 479.541 2.808 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1OC ZINC000008828657 554719263 /nfs/dbraw/zinc/71/92/63/554719263.db2.gz KGVYSHUXILVREC-FQEVSTJZSA-N 0 0 488.972 2.781 40 0 JFABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000008831634 554723093 /nfs/dbraw/zinc/72/30/93/554723093.db2.gz NACVHAVEJKWXFE-UHFFFAOYSA-N 0 0 456.568 2.889 40 0 JFABRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1nnn(CC(C)C)n1 ZINC000008832982 554729409 /nfs/dbraw/zinc/72/94/09/554729409.db2.gz DOHVMVSYESULSI-UHFFFAOYSA-N 0 0 492.197 2.990 40 0 JFABRN CCOc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000008834614 554732543 /nfs/dbraw/zinc/73/25/43/554732543.db2.gz AHQZVRCZABHINU-UHFFFAOYSA-N 0 0 455.492 2.904 40 0 JFABRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(NCCC3=CCCCC3)nc(N3CCOCC3)n2)C1 ZINC000008869807 554763844 /nfs/dbraw/zinc/76/38/44/554763844.db2.gz CWWVSVABIHIOJU-LEWJYISDSA-N 0 0 477.613 2.796 40 0 JFABRN Cc1cc(O[C@@H](C)C(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCC3 ZINC000008918230 554814400 /nfs/dbraw/zinc/81/44/00/554814400.db2.gz IBWBZJFXIOHSRC-VFUKXHBFSA-N 0 0 482.577 2.627 40 0 JFABRN Cn1c2nc(N3CCC(Cc4ccccc4)CC3)n(CCCSc3ncccn3)c2c(=O)[nH]c1=O ZINC000009001503 554859470 /nfs/dbraw/zinc/85/94/70/554859470.db2.gz AXMXMUFLVOATFE-UHFFFAOYSA-N 0 0 491.621 2.855 40 0 JFABRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N[C@H]3CCC[C@H](C)[C@H]3C)c2)C[C@H](C)O1 ZINC000009439204 555209095 /nfs/dbraw/zinc/20/90/95/555209095.db2.gz BYLRACUWOMCBFA-KAUDDPROSA-N 0 0 466.600 2.582 40 0 JFABRN C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N=c1sccn1Cc1ccccc1Cl)CS2 ZINC000009547090 555343750 /nfs/dbraw/zinc/34/37/50/555343750.db2.gz VOVRVDLIVWZDBU-HSEUQCPUSA-N 0 0 465.984 2.676 40 0 JFABRN CC(C)[C@@H](C(=O)NCc1ccco1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013151055 555358238 /nfs/dbraw/zinc/35/82/38/555358238.db2.gz JECCIABWWQNOHP-QFIPXVFZSA-N 0 0 473.551 2.521 40 0 JFABRN CCOC(=O)[C@@H]1C(c2ccc(C)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F ZINC000013407949 555396845 /nfs/dbraw/zinc/39/68/45/555396845.db2.gz QANCMLFPWRPMBF-BXTCMNFTSA-N 0 0 487.393 2.542 40 0 JFABRN COCCn1nnnc1[C@@H](c1ccc(OC)cc1OC)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013496390 555411678 /nfs/dbraw/zinc/41/16/78/555411678.db2.gz KCODCXNDJUDTOP-JOCHJYFZSA-N 0 0 495.609 2.858 40 0 JFABRN COCCn1nnnc1[C@H](c1ccc(OC)cc1OC)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013496388 555411737 /nfs/dbraw/zinc/41/17/37/555411737.db2.gz KCODCXNDJUDTOP-QFIPXVFZSA-N 0 0 495.609 2.858 40 0 JFABRN CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501030 555446961 /nfs/dbraw/zinc/44/69/61/555446961.db2.gz JIAFFONCMGSOOU-RBBKRZOGSA-N 0 0 454.575 2.728 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2)Nc1nccs1 ZINC000013501612 555450748 /nfs/dbraw/zinc/45/07/48/555450748.db2.gz SBVJLYSABQGBSO-UHFFFAOYSA-N 0 0 480.546 2.983 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2)Nc1nccs1 ZINC000013501711 555451023 /nfs/dbraw/zinc/45/10/23/555451023.db2.gz KLSUUQYXCKQRFB-UHFFFAOYSA-N 0 0 458.540 2.725 40 0 JFABRN CCC[C@@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502731 555456956 /nfs/dbraw/zinc/45/69/56/555456956.db2.gz CJCPCIRSZYVANM-NRFANRHFSA-N 0 0 461.584 2.814 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(C[C@H]2CCCO2)[C@@H](C(=O)NC2CCCCC2)C(C)C)cc1 ZINC000013502886 555458205 /nfs/dbraw/zinc/45/82/05/555458205.db2.gz WTFZHIJHFJFHGL-ZJSXRUAMSA-N 0 0 493.670 2.754 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)CC)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000013502930 555458209 /nfs/dbraw/zinc/45/82/09/555458209.db2.gz CDIDAXINQONJDC-FQEVSTJZSA-N 0 0 463.600 2.979 40 0 JFABRN CC(C)[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCC1 ZINC000013503063 555459068 /nfs/dbraw/zinc/45/90/68/555459068.db2.gz WMVBIXHZYUKXSG-QFIPXVFZSA-N 0 0 479.574 2.809 40 0 JFABRN CCC[C@@H](C(=O)NC(C)(C)C)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503193 555459860 /nfs/dbraw/zinc/45/98/60/555459860.db2.gz UVGGJBUAGSHHLR-MJGOQNOKSA-N 0 0 488.050 2.709 40 0 JFABRN CC(C)[C@@H](C(=O)NC(C)(C)C)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503189 555459872 /nfs/dbraw/zinc/45/98/72/555459872.db2.gz RFWUPMPINOMTED-XLIONFOSSA-N 0 0 488.050 2.565 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503214 555459919 /nfs/dbraw/zinc/45/99/19/555459919.db2.gz OFCSTYJATXIDOA-GOSISDBHSA-N 0 0 469.991 2.933 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1OC ZINC000013504496 555463778 /nfs/dbraw/zinc/46/37/78/555463778.db2.gz SKCOQHMNBZVEPM-NTKDMRAZSA-N 0 0 482.560 2.920 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000013504490 555463880 /nfs/dbraw/zinc/46/38/80/555463880.db2.gz YJPBRNWFTRFFRD-XUZZJYLKSA-N 0 0 464.570 2.781 40 0 JFABRN COc1ccc(OC)c([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3F)CC2)c1 ZINC000013504551 555464060 /nfs/dbraw/zinc/46/40/60/555464060.db2.gz MSDWHBTYQJRGIL-CYFREDJKSA-N 0 0 482.560 2.920 40 0 JFABRN COc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000013505308 555466067 /nfs/dbraw/zinc/46/60/67/555466067.db2.gz RKHGZWRVFTUECR-NRFANRHFSA-N 0 0 464.551 2.932 40 0 JFABRN COc1ccc(CCn2nnnc2[C@H](C(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1OC ZINC000013505550 555466875 /nfs/dbraw/zinc/46/68/75/555466875.db2.gz YBIWTLZIAGJNEP-QFIPXVFZSA-N 0 0 468.558 2.681 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1C ZINC000013507852 555477207 /nfs/dbraw/zinc/47/72/07/555477207.db2.gz QFQNNJQMSTZGAT-XMMPIXPASA-N 0 0 483.565 2.900 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 ZINC000013508002 555477743 /nfs/dbraw/zinc/47/77/43/555477743.db2.gz BWJOUHYETHPIJO-DEOSSOPVSA-N 0 0 499.564 2.600 40 0 JFABRN COCCNC(=O)[C@@H](c1ccco1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013508526 555478873 /nfs/dbraw/zinc/47/88/73/555478873.db2.gz QGHSNINYZMPJOP-OAQYLSRUSA-N 0 0 453.524 2.619 40 0 JFABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCOC)c1ccco1 ZINC000013508478 555478897 /nfs/dbraw/zinc/47/88/97/555478897.db2.gz WDUOFICCLOXHDJ-XMMPIXPASA-N 0 0 477.521 2.960 40 0 JFABRN COCCNC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 ZINC000013508708 555479379 /nfs/dbraw/zinc/47/93/79/555479379.db2.gz HGRCNVHVRNPMCR-VWLOTQADSA-N 0 0 473.533 2.977 40 0 JFABRN CCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCOC)c1cccc(OC)c1 ZINC000013508996 555480271 /nfs/dbraw/zinc/48/02/71/555480271.db2.gz XDUVXIQVDBQQPA-QHCPKHFHSA-N 0 0 453.543 2.573 40 0 JFABRN CCc1ccc([C@H](C(=O)NCCOC)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013509126 555480487 /nfs/dbraw/zinc/48/04/87/555480487.db2.gz ZXGUTALSAPOHNB-SQJMNOBHSA-N 0 0 479.581 2.505 40 0 JFABRN COCCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C ZINC000013509283 555481077 /nfs/dbraw/zinc/48/10/77/555481077.db2.gz BTTGBMWRWDPYKB-RUZDIDTESA-N 0 0 472.549 2.980 40 0 JFABRN O=C(CSc1nc(Cc2ccccc2)nc2c1cnn2-c1ccccc1)Nc1c[nH]c(=O)[nH]c1=O ZINC000013561670 555494842 /nfs/dbraw/zinc/49/48/42/555494842.db2.gz MUXUKFGZMAJXIP-UHFFFAOYSA-N 0 0 485.529 2.514 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)C(=S)NC[C@@H]1CCCO1)OCCO3 ZINC000013570750 555509199 /nfs/dbraw/zinc/50/91/99/555509199.db2.gz PTHQSKCOUYEGPM-KRWDZBQOSA-N 0 0 455.536 2.948 40 0 JFABRN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000019856597 555516524 /nfs/dbraw/zinc/51/65/24/555516524.db2.gz UURRNDNQJVXVPP-UHFFFAOYSA-N 0 0 486.015 2.838 40 0 JFABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1C ZINC000019856768 555517406 /nfs/dbraw/zinc/51/74/06/555517406.db2.gz ZWONTDLUNVKIBY-UHFFFAOYSA-N 0 0 455.330 2.949 40 0 JFABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c1 ZINC000019856817 555517680 /nfs/dbraw/zinc/51/76/80/555517680.db2.gz CPBZZWICAQIDGZ-UHFFFAOYSA-N 0 0 456.904 2.549 40 0 JFABRN COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1OC ZINC000013580565 555518871 /nfs/dbraw/zinc/51/88/71/555518871.db2.gz HAYDXBCMZJIVNF-QGZVFWFLSA-N 0 0 480.558 2.611 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000013580816 555519190 /nfs/dbraw/zinc/51/91/90/555519190.db2.gz KGZBMNXWZNFWLO-GOSISDBHSA-N 0 0 461.559 2.584 40 0 JFABRN Cn1c2ccc(NC(=O)CN3c4ccc(F)cc4-c4ccccc4S3(=O)=O)cc2n(C)c1=O ZINC000019869105 555523951 /nfs/dbraw/zinc/52/39/51/555523951.db2.gz XCYRGGHLIREQIH-UHFFFAOYSA-N 0 0 466.494 2.831 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013586003 555524262 /nfs/dbraw/zinc/52/42/62/555524262.db2.gz OSQDRBFUQZUJBU-UHFFFAOYSA-N 0 0 477.583 2.992 40 0 JFABRN COC(=O)[C@H]1NC(c2ccccc2)(c2ccccc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000019893216 555531372 /nfs/dbraw/zinc/53/13/72/555531372.db2.gz QLGNKQPVFSIVOY-ZLNRFVROSA-N 0 0 456.498 2.889 40 0 JFABRN CCOc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OCC ZINC000019932391 555549727 /nfs/dbraw/zinc/54/97/27/555549727.db2.gz HUCCTXQDCNBNKV-HXUWFJFHSA-N 0 0 468.959 2.981 40 0 JFABRN COc1ccc(CCNC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc1OC ZINC000019935225 555552230 /nfs/dbraw/zinc/55/22/30/555552230.db2.gz JPTQDKXIFUYAAO-UHFFFAOYSA-N 0 0 482.986 2.879 40 0 JFABRN COc1ccc(CCNC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc1 ZINC000019935223 555552260 /nfs/dbraw/zinc/55/22/60/555552260.db2.gz XVNBAWVZWGIONT-UHFFFAOYSA-N 0 0 452.960 2.871 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000013647915 555552288 /nfs/dbraw/zinc/55/22/88/555552288.db2.gz UWNSWXDKHOFJHX-UHFFFAOYSA-N 0 0 450.944 2.947 40 0 JFABRN COc1ccc(CNC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc1OC ZINC000019935554 555552946 /nfs/dbraw/zinc/55/29/46/555552946.db2.gz QZXUJQCOQBXPBT-UHFFFAOYSA-N 0 0 468.959 2.837 40 0 JFABRN CCN(c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000019937811 555554619 /nfs/dbraw/zinc/55/46/19/555554619.db2.gz GFOQMZZMUKFDMJ-JXMROGBWSA-N 0 0 457.596 2.709 40 0 JFABRN CCOc1ccccc1CCCNC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000013668363 555557207 /nfs/dbraw/zinc/55/72/07/555557207.db2.gz IXIYKRUIUXLMHR-UHFFFAOYSA-N 0 0 450.557 2.618 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000019941176 555559986 /nfs/dbraw/zinc/55/99/86/555559986.db2.gz ZRKJHYBGMXBVFV-RQOHWKINSA-N 0 0 479.549 2.988 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)C1CCCC1 ZINC000019941202 555560249 /nfs/dbraw/zinc/56/02/49/555560249.db2.gz SNYPRKHCNLAHBP-MWOWJKGTSA-N 0 0 465.591 2.731 40 0 JFABRN COc1ccc(NC(SCC(=O)N2CCCC[C@@H]2C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973851 555575571 /nfs/dbraw/zinc/57/55/71/555575571.db2.gz XBJINJLTPUQOON-AWEZNQCLSA-N 0 0 460.556 2.503 40 0 JFABRN CCc1ccc(NC(SCC(=O)NCc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973917 555576115 /nfs/dbraw/zinc/57/61/15/555576115.db2.gz IGMJLGIUDPVLJU-UHFFFAOYSA-N 0 0 466.563 2.973 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1Cl ZINC000020006033 555580396 /nfs/dbraw/zinc/58/03/96/555580396.db2.gz LGYJFELARCOOBE-LPHOPBHVSA-N 0 0 452.960 2.533 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1Cl ZINC000020006049 555580398 /nfs/dbraw/zinc/58/03/98/555580398.db2.gz PQNGXXHYMCTSSN-HXUWFJFHSA-N 0 0 459.955 2.950 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1Cl ZINC000020006058 555580430 /nfs/dbraw/zinc/58/04/30/555580430.db2.gz NBDAPHVMSBSMKW-FQEVSTJZSA-N 0 0 459.955 2.950 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000020009467 555584873 /nfs/dbraw/zinc/58/48/73/555584873.db2.gz QRODNXQGARSZON-ROUUACIJSA-N 0 0 452.960 2.533 40 0 JFABRN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009988118 555586895 /nfs/dbraw/zinc/58/68/95/555586895.db2.gz IEBGZTUTUVWWSJ-ZIAGYGMSSA-N 0 0 484.559 2.808 40 0 JFABRN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NCC(=O)OCC(=O)c1cccs1 ZINC000010000354 555589786 /nfs/dbraw/zinc/58/97/86/555589786.db2.gz FFAKDZPQNJEOAB-UHFFFAOYSA-N 0 0 450.516 2.539 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(OC)c(OC)c2)cc1Cl ZINC000020015301 555591491 /nfs/dbraw/zinc/59/14/91/555591491.db2.gz NGYAIQCGURSGEM-UHFFFAOYSA-N 0 0 456.948 2.693 40 0 JFABRN CC[C@@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714652 555592204 /nfs/dbraw/zinc/59/22/04/555592204.db2.gz DYAFBLIHGGMJOR-SFHVURJKSA-N 0 0 474.004 2.919 40 0 JFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714852 555592242 /nfs/dbraw/zinc/59/22/42/555592242.db2.gz DVDNEDOPHDZCSG-FQEVSTJZSA-N 0 0 479.986 2.996 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(OC)c(OC)c3)C2)cc1 ZINC000020017310 555593114 /nfs/dbraw/zinc/59/31/14/555593114.db2.gz JNWXUMXVVUHZCK-GOSISDBHSA-N 0 0 462.568 2.820 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000020021179 555598450 /nfs/dbraw/zinc/59/84/50/555598450.db2.gz JSHYPBAAWWKJSD-UHFFFAOYSA-N 0 0 450.410 2.787 40 0 JFABRN COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1OC ZINC000020021737 555599109 /nfs/dbraw/zinc/59/91/09/555599109.db2.gz GXAHOPPCBYZDIG-INIZCTEOSA-N 0 0 450.557 2.955 40 0 JFABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1 ZINC000020022267 555599662 /nfs/dbraw/zinc/59/96/62/555599662.db2.gz QVWPDQCWBFBZCS-QGZVFWFLSA-N 0 0 464.609 2.994 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000010040246 555604964 /nfs/dbraw/zinc/60/49/64/555604964.db2.gz KYFUOEIOFLBMRJ-UHFFFAOYSA-N 0 0 452.532 2.722 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000020030606 555605549 /nfs/dbraw/zinc/60/55/49/555605549.db2.gz MOSJGFPAWVASRG-UHFFFAOYSA-N 0 0 493.651 2.577 40 0 JFABRN Cc1c(C)n2c3c(nc2n1CCCn1ccnc1)n(C)c(=O)n(Cc1ccccc1Cl)c3=O ZINC000010103976 555618208 /nfs/dbraw/zinc/61/82/08/555618208.db2.gz CZTZZZMHJJWANX-UHFFFAOYSA-N 0 0 465.945 2.755 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cc3c(C)ccc(C)c3[nH]c2=O)N2CCOCC2)cc1 ZINC000020079640 555628855 /nfs/dbraw/zinc/62/88/55/555628855.db2.gz AYKIQUQYPKJJLL-QHCPKHFHSA-N 0 0 460.538 2.610 40 0 JFABRN CC[C@@H](C)NC(=S)N(CCCN1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020081370 555630283 /nfs/dbraw/zinc/63/02/83/555630283.db2.gz YJMTWGGUEVOQNY-QGZVFWFLSA-N 0 0 476.643 2.743 40 0 JFABRN CCN(Cc1ccccc1)[C@H](c1nnnn1CCOC)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020084092 555631523 /nfs/dbraw/zinc/63/15/23/555631523.db2.gz QHWNBEQCEMDCDV-QHCPKHFHSA-N 0 0 478.553 2.790 40 0 JFABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1CCOC)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000020084215 555631605 /nfs/dbraw/zinc/63/16/05/555631605.db2.gz WFECJCLILSAWNJ-JOCHJYFZSA-N 0 0 462.510 2.501 40 0 JFABRN Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(CC(=O)NC(C)(C)C)c2ccccc2F)cc1 ZINC000020097683 555632501 /nfs/dbraw/zinc/63/25/01/555632501.db2.gz RINRFEQTJMPAAH-YTTGMZPUSA-N 0 0 461.559 2.769 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020098164 555632825 /nfs/dbraw/zinc/63/28/25/555632825.db2.gz PTILPWZZJKBMAU-UHFFFAOYSA-N 0 0 486.059 2.877 40 0 JFABRN O=C(C[C@@H]1C(=O)NCCN1C(=O)c1cccc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000010153055 555637349 /nfs/dbraw/zinc/63/73/49/555637349.db2.gz UTRNDPNGSFYLGS-XMMPIXPASA-N 0 0 456.546 2.519 40 0 JFABRN COc1ccc(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 ZINC000020105250 555638356 /nfs/dbraw/zinc/63/83/56/555638356.db2.gz SZQIVWVBYGEVDU-HNNXBMFYSA-N 0 0 466.581 2.844 40 0 JFABRN O=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000020107724 555641863 /nfs/dbraw/zinc/64/18/63/555641863.db2.gz OJUSSFAUMPTGSB-UHFFFAOYSA-N 0 0 459.399 2.938 40 0 JFABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21 ZINC000020109333 555645243 /nfs/dbraw/zinc/64/52/43/555645243.db2.gz RLJUPUFJWDUUJT-QHCPKHFHSA-N 0 0 498.653 2.700 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)c1ccc(Br)cc1 ZINC000010231994 555655859 /nfs/dbraw/zinc/65/58/59/555655859.db2.gz JJNDDXUMRUURIT-MRXNPFEDSA-N 0 0 485.254 2.669 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2cccc(Br)c2)C1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000010232207 555656640 /nfs/dbraw/zinc/65/66/40/555656640.db2.gz DPNNCDDPPYSYSS-INIZCTEOSA-N 0 0 485.254 2.669 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(Br)cc2)C1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000010232237 555656722 /nfs/dbraw/zinc/65/67/22/555656722.db2.gz PVZGEIRIUOFWIL-INIZCTEOSA-N 0 0 485.254 2.669 40 0 JFABRN COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000020150632 555666691 /nfs/dbraw/zinc/66/66/91/555666691.db2.gz OZRQGFYSBQVKDI-QDMVCWPOSA-N 0 0 484.574 2.819 40 0 JFABRN COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1 ZINC000010303164 555678656 /nfs/dbraw/zinc/67/86/56/555678656.db2.gz MWNVSKSQLHASPB-UHFFFAOYSA-N 0 0 450.488 2.660 40 0 JFABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(I)cc1 ZINC000010542645 555725487 /nfs/dbraw/zinc/72/54/87/555725487.db2.gz HNRKRNZAPJMZSR-UHFFFAOYSA-N 0 0 456.305 2.744 40 0 JFABRN COc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1C(=O)N1CCOCC1 ZINC000010543275 555725705 /nfs/dbraw/zinc/72/57/05/555725705.db2.gz WGZJKMNLLJYZRX-UHFFFAOYSA-N 0 0 476.595 2.866 40 0 JFABRN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000020236656 555730278 /nfs/dbraw/zinc/73/02/78/555730278.db2.gz HNJKMWRBDOBICI-UHFFFAOYSA-N 0 0 465.597 2.574 40 0 JFABRN C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N[C@H]1CCCC[C@H]1C ZINC000010794123 555740651 /nfs/dbraw/zinc/74/06/51/555740651.db2.gz DRFBXFKDWCWREY-CLCXKQKWSA-N 0 0 472.991 2.601 40 0 JFABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000020245736 555741495 /nfs/dbraw/zinc/74/14/95/555741495.db2.gz PIALGIIGPPFEIA-UHFFFAOYSA-N 0 0 456.524 2.705 40 0 JFABRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014271733 555767661 /nfs/dbraw/zinc/76/76/61/555767661.db2.gz BDJKDAIEIPCXFE-UHFFFAOYSA-N 0 0 454.552 2.643 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000014397031 555802980 /nfs/dbraw/zinc/80/29/80/555802980.db2.gz CJIFZHOGXDIDAC-UHFFFAOYSA-N 0 0 450.582 2.664 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000014400461 555805885 /nfs/dbraw/zinc/80/58/85/555805885.db2.gz ZJSJRRUHZHROBX-LJQANCHMSA-N 0 0 477.558 2.919 40 0 JFABRN CCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1cc(I)c(O)c(OC)c1 ZINC000015016994 555858408 /nfs/dbraw/zinc/85/84/08/555858408.db2.gz ZONGGHWAAWPKHO-CQSZACIVSA-N 0 0 460.268 2.929 40 0 JFABRN Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(C)c1 ZINC000015139441 555880095 /nfs/dbraw/zinc/88/00/95/555880095.db2.gz WFKDKLJINXSPGS-UHFFFAOYSA-N 0 0 452.960 2.787 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000015198246 555883868 /nfs/dbraw/zinc/88/38/68/555883868.db2.gz DVEZCGXIDALQJA-QGZVFWFLSA-N 0 0 464.609 2.677 40 0 JFABRN COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl ZINC000022227635 555886476 /nfs/dbraw/zinc/88/64/76/555886476.db2.gz BDUGPIVXYGGICJ-UHFFFAOYSA-N 0 0 458.989 2.654 40 0 JFABRN CCOC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000022227887 555886738 /nfs/dbraw/zinc/88/67/38/555886738.db2.gz SFZGPNZOBRJCKW-UHFFFAOYSA-N 0 0 483.612 2.807 40 0 JFABRN COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000022227794 555886798 /nfs/dbraw/zinc/88/67/98/555886798.db2.gz WUVIXUSPTYDNRF-UHFFFAOYSA-N 0 0 452.598 2.827 40 0 JFABRN CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000022229067 555888075 /nfs/dbraw/zinc/88/80/75/555888075.db2.gz LUQPAAWGXFSPMW-UHFFFAOYSA-N 0 0 457.474 2.690 40 0 JFABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 ZINC000022232071 555891083 /nfs/dbraw/zinc/89/10/83/555891083.db2.gz JDRYZYCFQOIZQE-HXUWFJFHSA-N 0 0 452.960 2.980 40 0 JFABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000022232068 555891165 /nfs/dbraw/zinc/89/11/65/555891165.db2.gz JDRYZYCFQOIZQE-FQEVSTJZSA-N 0 0 452.960 2.980 40 0 JFABRN CCOC(=O)COc1c(I)cc(C=O)cc1I ZINC000015277362 555892890 /nfs/dbraw/zinc/89/28/90/555892890.db2.gz QFLOEWADOAQJKB-UHFFFAOYSA-N 0 0 460.005 2.650 40 0 JFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)ccc1OC ZINC000015312327 555896150 /nfs/dbraw/zinc/89/61/50/555896150.db2.gz CQHCVBQHYLMEQZ-UHFFFAOYSA-N 0 0 483.612 2.537 40 0 JFABRN NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246387 555896391 /nfs/dbraw/zinc/89/63/91/555896391.db2.gz JDRAWJRGKKSVCZ-SFHVURJKSA-N 0 0 484.405 2.607 40 0 JFABRN C[C@H](CCc1ccccc1)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000022250390 555900057 /nfs/dbraw/zinc/90/00/57/555900057.db2.gz ZPGBSLFFFUCVSZ-QGZVFWFLSA-N 0 0 466.987 2.877 40 0 JFABRN CC(C)c1ccccc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000022427714 555930625 /nfs/dbraw/zinc/93/06/25/555930625.db2.gz LNWZJTJTSYLRLU-MRXNPFEDSA-N 0 0 452.598 2.857 40 0 JFABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1S(=O)(=O)c1ccc(OC)cc1 ZINC000015676442 555937546 /nfs/dbraw/zinc/93/75/46/555937546.db2.gz RENVBRQBADDQGE-FQEVSTJZSA-N 0 0 475.954 2.882 40 0 biogenic,in-vitro JFABRN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000022931207 555984212 /nfs/dbraw/zinc/98/42/12/555984212.db2.gz XDGPPXZYGBSQLB-NRFANRHFSA-N 0 0 470.639 2.864 40 0 JFABRN O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000022941671 555992646 /nfs/dbraw/zinc/99/26/46/555992646.db2.gz ABTVVXDTDKGTEQ-SFHVURJKSA-N 0 0 477.439 2.764 40 0 JFABRN O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000015907261 556064340 /nfs/dbraw/zinc/06/43/40/556064340.db2.gz UKQYVXYCMJEBRU-HNNXBMFYSA-N 0 0 486.504 2.822 40 0 JFABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000023651562 556082075 /nfs/dbraw/zinc/08/20/75/556082075.db2.gz HNDIMMGVWRHVPJ-UHFFFAOYSA-N 0 0 465.959 2.753 40 0 JFABRN O=c1[nH]c(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2c1nnn2Cc1ccccc1 ZINC000015987571 556101656 /nfs/dbraw/zinc/10/16/56/556101656.db2.gz DQYKMCCBFCXIEP-UHFFFAOYSA-N 0 0 464.551 2.685 40 0 JFABRN O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@@H]1CCCN12 ZINC000015996775 556103157 /nfs/dbraw/zinc/10/31/57/556103157.db2.gz DFFMFVYYJCWRFH-KEXUJGGDSA-N 0 0 466.335 2.876 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1 ZINC000016019716 556113062 /nfs/dbraw/zinc/11/30/62/556113062.db2.gz UYLSXTRTDREDHC-UHFFFAOYSA-N 0 0 484.578 2.532 40 0 JFABRN CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000012868300 556120550 /nfs/dbraw/zinc/12/05/50/556120550.db2.gz JNTQSSGVHLUIBL-MBYAXLKMSA-N 0 0 464.643 2.883 40 0 biogenic JFABRN CNC(=S)Nc1scc2c1c(=O)n(-c1ccc(OC)cc1)nc2-c1nnc(NC)s1 ZINC000016189506 556128550 /nfs/dbraw/zinc/12/85/50/556128550.db2.gz ZOCOBFWBBZBWPZ-UHFFFAOYSA-N 0 0 459.582 2.932 40 0 JFABRN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000012934024 556150050 /nfs/dbraw/zinc/15/00/50/556150050.db2.gz KDJUOWMZZHQAEX-HUTLKBDOSA-N 0 0 466.600 2.725 40 0 JFABRN C[C@@]12CCC(=O)N1[C@H](C(=O)NCCN1C(=O)S/C(=C\c3ccc(OC(F)F)cc3)C1=O)CS2 ZINC000012948598 556159142 /nfs/dbraw/zinc/15/91/42/556159142.db2.gz OYMSCMUUMQSSLT-KBYUHYOFSA-N 0 0 497.545 2.895 40 0 JFABRN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000024847120 556161156 /nfs/dbraw/zinc/16/11/56/556161156.db2.gz WJHIUPRYPZGBBH-OAHLLOKOSA-N 0 0 472.881 2.919 40 0 JFABRN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000024847117 556161189 /nfs/dbraw/zinc/16/11/89/556161189.db2.gz WJHIUPRYPZGBBH-HNNXBMFYSA-N 0 0 472.881 2.919 40 0 JFABRN CCCn1c2nnc(SCCC(=O)NC(=O)NCc3ccccc3)n2c2ccccc2c1=O ZINC000012990968 556183840 /nfs/dbraw/zinc/18/38/40/556183840.db2.gz CHRMTOMSGDLLKV-UHFFFAOYSA-N 0 0 464.551 2.962 40 0 JFABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)c(OC)c1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013024102 556213874 /nfs/dbraw/zinc/21/38/74/556213874.db2.gz KFBJRZHGHSNXGV-DEOSSOPVSA-N 0 0 497.596 2.970 40 0 JFABRN C[C@@H]1CN(C(=O)/C=C\C(=O)OC2CCCCC2)CCN1C(=O)/C=C/C(=O)OC1CCCCC1 ZINC000017130050 556220885 /nfs/dbraw/zinc/22/08/85/556220885.db2.gz IXYSMOKQINGOAW-JITOXWKNSA-N 0 0 460.571 2.910 40 0 JFABRN COc1cc2cc(CN(Cc3nnnn3C[C@@H]3CCCO3)C3CCCC3)c(=O)[nH]c2cc1OC ZINC000013033545 556232196 /nfs/dbraw/zinc/23/21/96/556232196.db2.gz XYMOFHYDWBYYNS-IBGZPJMESA-N 0 0 468.558 2.656 40 0 JFABRN O=C([C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CC(=O)Nc2ccccc21 ZINC000026113328 556244571 /nfs/dbraw/zinc/24/45/71/556244571.db2.gz GCENIXIYFMGIQE-QFIPXVFZSA-N 0 0 463.515 2.769 40 0 JFABRN CSc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1C(=O)N1CCCC1 ZINC000026115113 556245580 /nfs/dbraw/zinc/24/55/80/556245580.db2.gz MNTIOHYQIDEVNE-UHFFFAOYSA-N 0 0 483.637 2.841 40 0 JFABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013062946 556258696 /nfs/dbraw/zinc/25/86/96/556258696.db2.gz XVTKPDRTPMVUTO-YRNRMSPPSA-N 0 0 454.564 2.711 40 0 JFABRN CCCC(=O)OC[C@@H]1O[C@@H](n2cnc3c2nc[nH]c3=S)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC ZINC000017352932 556258974 /nfs/dbraw/zinc/25/89/74/556258974.db2.gz BHPPLUZZMFOJAN-HMJPEOABSA-N 0 0 494.570 2.780 40 0 JFABRN COCC(=O)N1CCC[C@@H](c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)no2)C1 ZINC000013083954 556281459 /nfs/dbraw/zinc/28/14/59/556281459.db2.gz BNNNTVAQJDBEAH-LJQANCHMSA-N 0 0 470.551 2.568 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@@H](Cc3ccc(C)cc3)NC(C)=O)CC2)c1 ZINC000013085029 556282851 /nfs/dbraw/zinc/28/28/51/556282851.db2.gz QVGQJWSEPTZWNQ-HSZRJFAPSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3OC)CC2)cc1 ZINC000013085171 556283228 /nfs/dbraw/zinc/28/32/28/556283228.db2.gz IUHPLJCHYDLJIN-JOCHJYFZSA-N 0 0 468.554 2.564 40 0 JFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000013085258 556283494 /nfs/dbraw/zinc/28/34/94/556283494.db2.gz INFUJRBGNLKRQE-QFIPXVFZSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000013085254 556283496 /nfs/dbraw/zinc/28/34/96/556283496.db2.gz GQZVHRBXWONFSZ-QFIPXVFZSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000013085256 556283508 /nfs/dbraw/zinc/28/35/08/556283508.db2.gz INFUJRBGNLKRQE-JOCHJYFZSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000013085307 556283847 /nfs/dbraw/zinc/28/38/47/556283847.db2.gz WCNQXQOPFGEJHB-OAQYLSRUSA-N 0 0 457.958 2.817 40 0 JFABRN COc1ccccc1NC(=O)N1CCC(NC(=O)[C@@H](Cc2ccc(OC)c(OC)c2)NC(C)=O)CC1 ZINC000013085433 556284016 /nfs/dbraw/zinc/28/40/16/556284016.db2.gz VFIURRXVZPVJLG-OAQYLSRUSA-N 0 0 498.580 2.572 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000013085409 556284032 /nfs/dbraw/zinc/28/40/32/556284032.db2.gz ZRUSECLALPFVAM-NRFANRHFSA-N 0 0 487.984 2.825 40 0 JFABRN COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000013085498 556284377 /nfs/dbraw/zinc/28/43/77/556284377.db2.gz WYCUASYSJMJXML-QHCPKHFHSA-N 0 0 487.984 2.825 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC ZINC000013085460 556284422 /nfs/dbraw/zinc/28/44/22/556284422.db2.gz MUKKEFDZKYHIHA-OAQYLSRUSA-N 0 0 487.984 2.825 40 0 JFABRN COC(=O)c1ccc(NC(=O)CSc2nnc3n(CC(=O)N4CCCC4)c4ccccc4n23)cc1 ZINC000013085580 556284629 /nfs/dbraw/zinc/28/46/29/556284629.db2.gz IBPUDESEXVGBGQ-UHFFFAOYSA-N 0 0 492.561 2.824 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1Br ZINC000018114079 556289293 /nfs/dbraw/zinc/28/92/93/556289293.db2.gz JJLZBVWLWNSSTO-UHFFFAOYSA-N 0 0 455.330 2.731 40 0 JFABRN Cc1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)Cc4ccccc4)CC2)[nH]c3=O)cc1 ZINC000018203713 556309290 /nfs/dbraw/zinc/30/92/90/556309290.db2.gz NRVORWBWLKCWQG-UHFFFAOYSA-N 0 0 478.578 2.581 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000018217493 556311916 /nfs/dbraw/zinc/31/19/16/556311916.db2.gz XDMGPTAMYBOAOF-UHFFFAOYSA-N 0 0 478.014 2.887 40 0 JFABRN COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cc(Cl)ccc2OC)cc1C ZINC000028209999 556320981 /nfs/dbraw/zinc/32/09/81/556320981.db2.gz NLUZQGNUFNKKRX-INIZCTEOSA-N 0 0 452.916 2.984 40 0 JFABRN CCOC(=O)[C@H]1CCCN(C(=O)NCCCCCCNC(=O)N2CCC[C@H](C(=O)OCC)C2)C1 ZINC000019075039 556327599 /nfs/dbraw/zinc/32/75/99/556327599.db2.gz ZLYPFDNHZCTKAM-PMACEKPBSA-N 0 0 482.622 2.516 40 0 JFABRN CCN1CCN(C(=O)NC(C)(C)c2cccc(C(C)(C)NC(=O)N3CCN(CC)CC3)c2)CC1 ZINC000019075297 556327835 /nfs/dbraw/zinc/32/78/35/556327835.db2.gz DJGKKJWFQIWCRK-UHFFFAOYSA-N 0 0 472.678 2.851 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](C(C)C)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019211171 556334234 /nfs/dbraw/zinc/33/42/34/556334234.db2.gz KBPKKAWTALTKQV-HSZRJFAPSA-N 0 0 468.627 2.928 40 0 JFABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4)CC3)cc2c1 ZINC000019220854 556335046 /nfs/dbraw/zinc/33/50/46/556335046.db2.gz NSGROZAMKTUHLH-WIOPSUGQSA-N 0 0 485.592 2.914 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000019235604 556336687 /nfs/dbraw/zinc/33/66/87/556336687.db2.gz WUGHXIBKFNTUMD-RUZDIDTESA-N 0 0 487.608 2.998 40 0 JFABRN Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c12 ZINC000019236447 556336987 /nfs/dbraw/zinc/33/69/87/556336987.db2.gz UOMQZLMCOTXXLW-WIOPSUGQSA-N 0 0 485.592 2.914 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000019563483 556354417 /nfs/dbraw/zinc/35/44/17/556354417.db2.gz WTTQSPAZSJEXCU-QHCPKHFHSA-N 0 0 474.565 2.947 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)cc(C)c3[nH]c2=O)N2CCOCC2)cc1 ZINC000019568206 556354879 /nfs/dbraw/zinc/35/48/79/556354879.db2.gz PLAXJPOQMAQNTO-HSZRJFAPSA-N 0 0 460.538 2.610 40 0 JFABRN COCCn1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019594017 556356054 /nfs/dbraw/zinc/35/60/54/556356054.db2.gz NPIGUYZNXNPKDW-RUZDIDTESA-N 0 0 487.564 2.504 40 0 JFABRN O=C(Nc1ccc(I)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000030755064 556372787 /nfs/dbraw/zinc/37/27/87/556372787.db2.gz HXRUXOSDTSMPJD-UHFFFAOYSA-N 0 0 486.331 2.706 40 0 JFABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000030939116 556388435 /nfs/dbraw/zinc/38/84/35/556388435.db2.gz RIZHAFPUZQSSKF-MRXNPFEDSA-N 0 0 459.307 2.946 40 0 JFABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000030939592 556388545 /nfs/dbraw/zinc/38/85/45/556388545.db2.gz YLGGHSGZUXKYHC-SFHVURJKSA-N 0 0 451.932 2.646 40 0 JFABRN CCOc1cc(NC(=S)NCCCN2CCOCC2)c(OCC)cc1NC(=O)C1CC1 ZINC000019823175 556393047 /nfs/dbraw/zinc/39/30/47/556393047.db2.gz NNGZJPDDONYZHN-UHFFFAOYSA-N 0 0 450.605 2.841 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000019824541 556395707 /nfs/dbraw/zinc/39/57/07/556395707.db2.gz ZVQIPXZJPPZWPL-JOCHJYFZSA-N 0 0 488.654 2.505 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000019824567 556395721 /nfs/dbraw/zinc/39/57/21/556395721.db2.gz SRQXZRIZOVSSHW-QFIPXVFZSA-N 0 0 488.654 2.505 40 0 JFABRN O=C(Nc1ccccc1)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000019824978 556396422 /nfs/dbraw/zinc/39/64/22/556396422.db2.gz BTZQFTPPDGVWME-UHFFFAOYSA-N 0 0 464.522 2.666 40 0 JFABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000031712210 556402137 /nfs/dbraw/zinc/40/21/37/556402137.db2.gz ZHOPBUAEAHJOKQ-QGZVFWFLSA-N 0 0 464.609 2.509 40 0 JFABRN CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000032125370 556429572 /nfs/dbraw/zinc/42/95/72/556429572.db2.gz LXLNSBHFQCKCBY-UHFFFAOYSA-N 0 0 497.440 2.658 40 0 JFABRN Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000032632905 556454986 /nfs/dbraw/zinc/45/49/86/556454986.db2.gz CLAVRCZQCGVPTH-GOSISDBHSA-N 0 0 454.552 2.524 40 0 JFABRN CCc1ccccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1OC ZINC000032640023 556459807 /nfs/dbraw/zinc/45/98/07/556459807.db2.gz YPFZEXGVYMKZCW-IEBWSBKVSA-N 0 0 459.593 2.971 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3F)CC2)cc1OC ZINC000032891035 556523719 /nfs/dbraw/zinc/52/37/19/556523719.db2.gz IDJMXXJUUZDIDV-UHFFFAOYSA-N 0 0 450.532 2.902 40 0 JFABRN COc1c2c(c(C)c3c1C[C@H]1[C@@](C)(C[C@H](O)[C@@]4(O)[C@@]1(C)CCC(=O)OC4(C)C)O3)COC2=O ZINC000247987534 560036802 /nfs/dbraw/zinc/03/68/02/560036802.db2.gz ZVTVYIVILDSYIK-XZLPCZPGSA-N 0 0 460.523 2.601 40 0 biogenic,in-vitro JFABRN O=C1CO[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000067897628 560050287 /nfs/dbraw/zinc/05/02/87/560050287.db2.gz YFLZMQOJKCOMBG-MOPGFXCFSA-N 0 0 454.470 2.647 40 0 biogenic,in-vitro JFABRN COc1ccc(CC(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4ccncc4)[C@@H]3CO)cc2)cc1 ZINC000072321275 560076674 /nfs/dbraw/zinc/07/66/74/560076674.db2.gz SLWUEJFUFKIYIM-ZEQKJWHPSA-N 0 0 461.518 2.732 40 0 biogenic,in-vitro JFABRN Cc1ncsc1CN1C(=O)CO[C@H](c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)[C@H]1CO ZINC000072321217 560076743 /nfs/dbraw/zinc/07/67/43/560076743.db2.gz KFQBHJMNXCHELX-WZONZLPQSA-N 0 0 481.530 2.894 40 0 biogenic,in-vitro JFABRN NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCCN4Cc4ccc5c(c4)OCO5)n3)ccn2)CC1 ZINC000035424699 560081095 /nfs/dbraw/zinc/08/10/95/560081095.db2.gz SWJSVQUPGFDRJY-IBGZPJMESA-N 0 0 476.537 2.899 40 0 biogenic,in-vitro JFABRN CC[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000008677443 562950688 /nfs/dbraw/zinc/95/06/88/562950688.db2.gz XQELXUWLQACHHO-JOCHJYFZSA-N 0 0 485.562 2.695 40 0 JFABRN COCCNC(=O)[C@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1cccnc1 ZINC000008678312 562950733 /nfs/dbraw/zinc/95/07/33/562950733.db2.gz UXJIBAOCKSHNQY-DEOSSOPVSA-N 0 0 458.522 2.672 40 0 JFABRN COc1ccc(NC(=O)Cn2nc3n(c2=O)c2ccccc2c(=O)n3Cc2ccc(C)cc2)cc1OC ZINC000064580785 569620496 /nfs/dbraw/zinc/62/04/96/569620496.db2.gz DSWHSAIBNVBOGS-UHFFFAOYSA-N 0 0 499.527 2.824 40 0 JFABRN C#CCOc1c(Br)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC ZINC000033498132 569626958 /nfs/dbraw/zinc/62/69/58/569626958.db2.gz PQOSHPOZFDKKLS-DHDCSXOGSA-N 0 0 489.278 2.942 40 0 JFABRN COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)CC1 ZINC000033687917 569630848 /nfs/dbraw/zinc/63/08/48/569630848.db2.gz PUFMDABTADJEOD-UHFFFAOYSA-N 0 0 487.622 2.762 40 0 JFABRN COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O ZINC000033787072 569635051 /nfs/dbraw/zinc/63/50/51/569635051.db2.gz NPAYUIISMDEQGJ-LPSTTYAQSA-N 0 0 455.873 2.919 40 0 JFABRN C[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033938520 569639051 /nfs/dbraw/zinc/63/90/51/569639051.db2.gz IKZIMWVZZMEZAT-DNVCBOLYSA-N 0 0 478.509 2.779 40 0 JFABRN CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937374 569639139 /nfs/dbraw/zinc/63/91/39/569639139.db2.gz JIAFFONCMGSOOU-IRLDBZIGSA-N 0 0 454.575 2.728 40 0 JFABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)cc1 ZINC000034890812 569669291 /nfs/dbraw/zinc/66/92/91/569669291.db2.gz NPGHOZDGUFUXDW-KRWDZBQOSA-N 0 0 475.958 2.671 40 0 JFABRN CCOC(=O)CCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H]1[C@@H]3Sc2[nH]c(=O)sc2[C@H]1c1cccs1 ZINC000035053090 569674113 /nfs/dbraw/zinc/67/41/13/569674113.db2.gz RBCZJILDZWSGIA-PQVIFUOASA-N 0 0 490.628 2.924 40 0 JFABRN CCOc1ccc(NC(=O)CSc2nnc([C@H](CO)NC(=O)c3ccc(OC)cc3)n2CC)cc1 ZINC000035087190 569674593 /nfs/dbraw/zinc/67/45/93/569674593.db2.gz GEDLCLHVMUTDIS-FQEVSTJZSA-N 0 0 499.593 2.900 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN([C@H](C(=O)NC5CCCC5)c5ccccc5)C(=O)[C@H]24)O3)no1 ZINC000035290055 569679646 /nfs/dbraw/zinc/67/96/46/569679646.db2.gz GEFYBGVGMMHBKD-XQHPTCSASA-N 0 0 476.533 2.504 40 0 JFABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)C1=O ZINC000035401502 569690844 /nfs/dbraw/zinc/69/08/44/569690844.db2.gz IBZSUYKZYBPASB-WWNSAXIVSA-N 0 0 457.888 2.888 40 0 JFABRN COC(=O)COc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O ZINC000035403184 569691326 /nfs/dbraw/zinc/69/13/26/569691326.db2.gz OHHFMPHLIGJJTP-WQRHYEAKSA-N 0 0 464.430 2.864 40 0 JFABRN C[C@H](C(=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])c1ccc(-c2ccccc2)c(F)c1 ZINC000068605391 569691549 /nfs/dbraw/zinc/69/15/49/569691549.db2.gz FSWIIIJWETWQKP-AWEZNQCLSA-N 0 0 497.388 2.751 40 0 JFABRN C[C@@H](C(=O)OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-])c1ccc(-c2ccccc2)c(F)c1 ZINC000068605411 569691583 /nfs/dbraw/zinc/69/15/83/569691583.db2.gz FPFQTDREKABUAX-CQSZACIVSA-N 0 0 452.391 2.535 40 0 JFABRN CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2Cc3cc(OC)c(OC)cc3CN2C(=O)[C@@H]1C ZINC000077311425 569705868 /nfs/dbraw/zinc/70/58/68/569705868.db2.gz UYPPDNXTLSUNRF-HSQYWUDLSA-N 0 0 480.561 2.752 40 0 in-vitro JFABRN CCCCN1C(=O)[C@@H]2[C@@H]([C@H](O)c3ccc(Cl)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000035808839 569712203 /nfs/dbraw/zinc/71/22/03/569712203.db2.gz FCCFRZPQNNQUST-JKNYOYKWSA-N 0 0 453.926 2.594 40 0 JFABRN Cc1nc(Cn2cnc(-c3cc(C(=O)NCCN4CCOCC4)c4ccccn34)c2)cs1 ZINC000096154921 569736649 /nfs/dbraw/zinc/73/66/49/569736649.db2.gz GTXNYEGCZFVLPG-UHFFFAOYSA-N 0 0 450.568 2.678 40 0 JFABRN COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000100422587 569759891 /nfs/dbraw/zinc/75/98/91/569759891.db2.gz BYCNFUAPZHZIRN-FAWUNYRSSA-N 0 0 486.480 2.640 40 0 JFABRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000036317540 569763373 /nfs/dbraw/zinc/76/33/73/569763373.db2.gz JHMRTGXGAYAZTL-IBGZPJMESA-N 0 0 469.673 2.889 40 0 JFABRN CN1CCN(S(=O)(=O)c2ccc(-c3noc([C@@H]4CCCN(C(=O)c5ccccc5)C4)n3)cc2)CC1 ZINC000036351143 569771238 /nfs/dbraw/zinc/77/12/38/569771238.db2.gz IDZACRPCMDMWEZ-OAQYLSRUSA-N 0 0 495.605 2.693 40 0 JFABRN CCOC(=O)[C@@H](C)Oc1c(Br)cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC ZINC000036612601 569777793 /nfs/dbraw/zinc/77/77/93/569777793.db2.gz DBWABUJYABVJDI-MEBBXXQBSA-N 0 0 471.304 2.589 40 0 JFABRN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101344522 569793798 /nfs/dbraw/zinc/79/37/98/569793798.db2.gz ZSSMDIFBPOICDY-LZISPXOZSA-N 0 0 479.920 2.851 40 0 JFABRN COCCN1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]2C1=O ZINC000101474819 569798972 /nfs/dbraw/zinc/79/89/72/569798972.db2.gz KGIUARDSEPWGMX-MHTWAQMVSA-N 0 0 451.910 2.810 40 0 JFABRN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000101489755 569799653 /nfs/dbraw/zinc/79/96/53/569799653.db2.gz PAYDDKOXRPFJPA-GRGXKFILSA-N 0 0 471.623 2.855 40 0 JFABRN O=C(NCCCN1CCCC1=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101496773 569800781 /nfs/dbraw/zinc/80/07/81/569800781.db2.gz YVLXDUHGEMQGFK-CALCHBBNSA-N 0 0 456.008 2.553 40 0 JFABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)nc1n(C)c2=O ZINC000038486837 569801529 /nfs/dbraw/zinc/80/15/29/569801529.db2.gz AOBGFMDMRQXSCL-INIZCTEOSA-N 0 0 490.564 2.638 40 0 JFABRN CCc1nnc(-n2ccc3c(nnc4c(-c5ccc(Br)cc5)c(C)nn43)c2=O)[nH]1 ZINC000040372820 569824182 /nfs/dbraw/zinc/82/41/82/569824182.db2.gz ISIKKUFFYCHZGU-UHFFFAOYSA-N 0 0 451.288 2.847 40 0 JFABRN CCOC(=O)C1CCN(c2nc3ncc4c(c3c(=O)[nH]2)C[C@@H](c2ccccc2O)CC4=O)CC1 ZINC000040372928 569824225 /nfs/dbraw/zinc/82/42/25/569824225.db2.gz QLDGVBPNOCNEJZ-OAHLLOKOSA-N 0 0 462.506 2.716 40 0 JFABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@@H](C)C3)[nH]c(=O)c21 ZINC000040388693 569824651 /nfs/dbraw/zinc/82/46/51/569824651.db2.gz UYOVUKWBGPHMJY-BZPMIXESSA-N 0 0 459.934 2.979 40 0 JFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)CC(=O)N2 ZINC000040390538 569825100 /nfs/dbraw/zinc/82/51/00/569825100.db2.gz GOWFFJGARZCUAZ-CABCVRRESA-N 0 0 485.541 2.629 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 ZINC000040399657 569826824 /nfs/dbraw/zinc/82/68/24/569826824.db2.gz CZABJDVOPQDMJF-INIZCTEOSA-N 0 0 465.441 2.894 40 0 JFABRN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)CC(=O)N3)cc1 ZINC000040399841 569826973 /nfs/dbraw/zinc/82/69/73/569826973.db2.gz BMEKNVGVZLAYIC-QGZVFWFLSA-N 0 0 462.466 2.545 40 0 JFABRN COc1cc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@@H]2C(C)=O)ccc1OC(F)F ZINC000103089507 569832789 /nfs/dbraw/zinc/83/27/89/569832789.db2.gz ALLPJLCWFDWYQA-JEXFZHOOSA-N 0 0 486.496 2.885 40 0 JFABRN CCN(Cc1ccco1)S(=O)(=O)c1nnc(NC(=O)COc2ccc(C)c(C)c2)s1 ZINC000041085545 569836988 /nfs/dbraw/zinc/83/69/88/569836988.db2.gz HOPOBEHFYAPOJV-UHFFFAOYSA-N 0 0 450.542 2.976 40 0 JFABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc(Br)c1OCC(=O)OC ZINC000106743943 569855436 /nfs/dbraw/zinc/85/54/36/569855436.db2.gz ZXRDEBNVQBFUSY-QPEQYQDCSA-N 0 0 488.312 2.609 40 0 JFABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000106765517 569855730 /nfs/dbraw/zinc/85/57/30/569855730.db2.gz WLWZFGMCEMHPNC-YBEGLDIGSA-N 0 0 482.942 2.949 40 0 JFABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)cc1 ZINC000107559791 569856579 /nfs/dbraw/zinc/85/65/79/569856579.db2.gz UNUZLGNGZHFCRZ-QGZVFWFLSA-N 0 0 475.958 2.671 40 0 JFABRN CCn1c(SCC(=O)Nc2ccccc2OC)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000107958624 569858077 /nfs/dbraw/zinc/85/80/77/569858077.db2.gz AAKGKWPDAYWHQD-SFHVURJKSA-N 0 0 485.566 2.509 40 0 JFABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCC(N)=O ZINC000108010332 569858273 /nfs/dbraw/zinc/85/82/73/569858273.db2.gz XFXQLOTUBSVFJG-RQZCQDPDSA-N 0 0 460.464 2.566 40 0 JFABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1 ZINC000108141340 569858866 /nfs/dbraw/zinc/85/88/66/569858866.db2.gz XTBZPEKGUGMCNP-GOSISDBHSA-N 0 0 469.567 2.635 40 0 JFABRN COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccccc3OC)n2C)cc1 ZINC000108265641 569859345 /nfs/dbraw/zinc/85/93/45/569859345.db2.gz IMVAOWUPWHDWCA-UHFFFAOYSA-N 0 0 455.540 2.536 40 0 JFABRN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000108936365 569859957 /nfs/dbraw/zinc/85/99/57/569859957.db2.gz ZPBVMYRKUNMFOZ-LJQANCHMSA-N 0 0 485.566 2.509 40 0 JFABRN CN1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccc(Br)cc23)N(C)C1=S ZINC000111673227 569861029 /nfs/dbraw/zinc/86/10/29/569861029.db2.gz FFGJQXHMKUHCCD-VHXYRJIDSA-N 0 0 491.411 2.729 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000113965878 569862725 /nfs/dbraw/zinc/86/27/25/569862725.db2.gz SAYSKAZKCBKVKA-UHFFFAOYSA-N 0 0 481.521 2.622 40 0 JFABRN COc1ccccc1N(CCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O ZINC000113966573 569862732 /nfs/dbraw/zinc/86/27/32/569862732.db2.gz CVUXQUSDZMBGNJ-UHFFFAOYSA-N 0 0 472.567 2.678 40 0 JFABRN CC(=O)OC[C@]12CC[C@@H](OC(C)=O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O ZINC000118924617 569863696 /nfs/dbraw/zinc/86/36/96/569863696.db2.gz BGGCJYNRGWRMDK-BDHATTMYSA-N 0 0 490.593 2.833 40 0 JFABRN CSCC[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000135631749 569864422 /nfs/dbraw/zinc/86/44/22/569864422.db2.gz CNJJMBLXGCDBGS-UEXGIBASSA-N 0 0 497.621 2.696 40 0 JFABRN COc1cccc(NC(=O)[C@H](CCSC)NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1 ZINC000135660884 569864436 /nfs/dbraw/zinc/86/44/36/569864436.db2.gz YNIABORVCYMMOY-QKLQHJQFSA-N 0 0 470.595 2.746 40 0 JFABRN CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@@H](C)Cn1cnc2c1ncnc2N)Oc1ccccc1 ZINC000135879305 569864520 /nfs/dbraw/zinc/86/45/20/569864520.db2.gz LDEKQSIMHVQZJK-XLYFSSNGSA-N 0 0 476.474 2.973 40 0 JFABRN COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)c(OC)c1 ZINC000138541449 569865910 /nfs/dbraw/zinc/86/59/10/569865910.db2.gz XKAXCKQKVXMHTK-ZDUSSCGKSA-N 0 0 462.886 2.901 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)c(OC)c1 ZINC000139038231 569866848 /nfs/dbraw/zinc/86/68/48/569866848.db2.gz RAFAZPZYXNWPHQ-QGZVFWFLSA-N 0 0 497.548 2.677 40 0 JFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cc(OC)ccc1OC)CC(=O)N2 ZINC000139118625 569867196 /nfs/dbraw/zinc/86/71/96/569867196.db2.gz CXCITGVSQUWLOC-DZGCQCFKSA-N 0 0 455.515 2.621 40 0 JFABRN COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1=O ZINC000139117127 569867255 /nfs/dbraw/zinc/86/72/55/569867255.db2.gz LACQJUCZJAYNHB-LBPRGKRZSA-N 0 0 480.304 2.677 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000143919917 569867720 /nfs/dbraw/zinc/86/77/20/569867720.db2.gz AKVIPNUNVATYJJ-UHFFFAOYSA-N 0 0 460.552 2.692 40 0 JFABRN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O ZINC000205857747 569874430 /nfs/dbraw/zinc/87/44/30/569874430.db2.gz FGWAGFWHCHOWRE-OQLLNIDSSA-N 0 0 483.340 2.660 40 0 JFABRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 ZINC000197340327 569873686 /nfs/dbraw/zinc/87/36/86/569873686.db2.gz IXDAIHWITNHTKY-OAHLLOKOSA-N 0 0 454.556 2.587 40 0 JFABRN CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000216408302 569878675 /nfs/dbraw/zinc/87/86/75/569878675.db2.gz RBAVETNWHYTWLP-UHFFFAOYSA-N 0 0 461.422 2.922 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222412855 569884151 /nfs/dbraw/zinc/88/41/51/569884151.db2.gz PLPUAJCIRCSQHF-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222415230 569884218 /nfs/dbraw/zinc/88/42/18/569884218.db2.gz LLYIPLCMGHNWAE-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222437175 569884349 /nfs/dbraw/zinc/88/43/49/569884349.db2.gz CNSMCUADYPVKNE-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222438374 569884354 /nfs/dbraw/zinc/88/43/54/569884354.db2.gz NWDCYPVATLMFCI-KRWDZBQOSA-N 0 0 481.565 2.983 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222450789 569884366 /nfs/dbraw/zinc/88/43/66/569884366.db2.gz IEQXEOGHEIKCGG-OAQYLSRUSA-N 0 0 485.606 2.862 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222485004 569884746 /nfs/dbraw/zinc/88/47/46/569884746.db2.gz FCXOCLFPFMLZGD-QGZVFWFLSA-N 0 0 481.565 2.983 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222494007 569884842 /nfs/dbraw/zinc/88/48/42/569884842.db2.gz CEMRCDHSHCWOFD-BHIFYINESA-N 0 0 453.583 2.968 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000222503637 569884942 /nfs/dbraw/zinc/88/49/42/569884942.db2.gz KJTQOKGYAOVPFB-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222505242 569885005 /nfs/dbraw/zinc/88/50/05/569885005.db2.gz OQLVDYHUUCLCBZ-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222507639 569885014 /nfs/dbraw/zinc/88/50/14/569885014.db2.gz SRVFKNSGQNXHPV-XMMPIXPASA-N 0 0 497.592 2.978 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000222528885 569885204 /nfs/dbraw/zinc/88/52/04/569885204.db2.gz SAWJHEJDIACEMK-QGZVFWFLSA-N 0 0 466.003 2.904 40 0 JFABRN COc1cc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc(OC)c1OC ZINC000222537908 569885302 /nfs/dbraw/zinc/88/53/02/569885302.db2.gz VIJVTTCDLPJXEL-SFHVURJKSA-N 0 0 462.568 2.772 40 0 JFABRN COc1cc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc(OC)c1OC ZINC000222537847 569885305 /nfs/dbraw/zinc/88/53/05/569885305.db2.gz VIJVTTCDLPJXEL-GOSISDBHSA-N 0 0 462.568 2.772 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222551896 569885647 /nfs/dbraw/zinc/88/56/47/569885647.db2.gz GFZPYOQLXYZVQT-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000222555857 569885754 /nfs/dbraw/zinc/88/57/54/569885754.db2.gz UJEBVGQXMRRKJH-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000222554714 569885770 /nfs/dbraw/zinc/88/57/70/569885770.db2.gz WHPLMZDFRNTQBU-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222604794 569886807 /nfs/dbraw/zinc/88/68/07/569886807.db2.gz SZTRMYQBYIHEDT-HNNXBMFYSA-N 0 0 469.966 2.717 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222604458 569886824 /nfs/dbraw/zinc/88/68/24/569886824.db2.gz ROXOAXOXSXFDDI-HNNXBMFYSA-N 0 0 469.966 2.717 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)s2)cc1 ZINC000222610861 569886949 /nfs/dbraw/zinc/88/69/49/569886949.db2.gz ZRBANPOATDLEQK-UHFFFAOYSA-N 0 0 465.532 2.604 40 0 JFABRN COC(=O)c1cn(S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c2ccccc12 ZINC000222615443 569887036 /nfs/dbraw/zinc/88/70/36/569887036.db2.gz VWNXSOOQFRHLHC-UHFFFAOYSA-N 0 0 474.560 2.859 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(I)cc1 ZINC000222627442 569887224 /nfs/dbraw/zinc/88/72/24/569887224.db2.gz AOEORLVTCNMMPU-ZDUSSCGKSA-N 0 0 470.282 2.972 40 0 JFABRN CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)NC(C)C)cc3)cc2)CC1 ZINC000222632967 569887425 /nfs/dbraw/zinc/88/74/25/569887425.db2.gz UHZVPKQFOPJFMH-UHFFFAOYSA-N 0 0 460.552 2.986 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000222640618 569887549 /nfs/dbraw/zinc/88/75/49/569887549.db2.gz PNTYOVPFGFZXNA-SFHVURJKSA-N 0 0 475.611 2.793 40 0 JFABRN COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000222650947 569887765 /nfs/dbraw/zinc/88/77/65/569887765.db2.gz SQMBTLXWYSONAA-UHFFFAOYSA-N 0 0 470.547 2.878 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222651544 569887796 /nfs/dbraw/zinc/88/77/96/569887796.db2.gz DWVVABCQZMSRBB-KRWDZBQOSA-N 0 0 489.594 2.513 40 0 JFABRN Cc1cccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccccc4)s3)CC2)c1C ZINC000222657422 569887819 /nfs/dbraw/zinc/88/78/19/569887819.db2.gz UKXRTWITXDBIPR-UHFFFAOYSA-N 0 0 457.581 2.918 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222666647 569888071 /nfs/dbraw/zinc/88/80/71/569888071.db2.gz RWOFKWUGADBMKK-GOSISDBHSA-N 0 0 485.606 2.943 40 0 JFABRN C[C@@H](NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222669845 569888087 /nfs/dbraw/zinc/88/80/87/569888087.db2.gz KDWNHRLNRYIFNE-CYBMUJFWSA-N 0 0 469.357 2.864 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222718984 569889428 /nfs/dbraw/zinc/88/94/28/569889428.db2.gz UESNSOJPLRPBBL-HXUWFJFHSA-N 0 0 471.623 2.957 40 0 JFABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000222722146 569889519 /nfs/dbraw/zinc/88/95/19/569889519.db2.gz XGNWYQAFSAYSSO-UHFFFAOYSA-N 0 0 489.623 2.837 40 0 JFABRN C[C@H](NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222729884 569889715 /nfs/dbraw/zinc/88/97/15/569889715.db2.gz GMFGHXDYSNCLBQ-INIZCTEOSA-N 0 0 476.551 2.653 40 0 JFABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(N)=O)cc3)cc2)c1 ZINC000222736903 569889916 /nfs/dbraw/zinc/88/99/16/569889916.db2.gz RXCYBROFJBREBJ-UHFFFAOYSA-N 0 0 469.519 2.541 40 0 JFABRN COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000222748911 569890179 /nfs/dbraw/zinc/89/01/79/569890179.db2.gz HFLGSHQRCANRFW-UHFFFAOYSA-N 0 0 462.568 2.964 40 0 JFABRN COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C ZINC000222758748 569890435 /nfs/dbraw/zinc/89/04/35/569890435.db2.gz KDISDVKYULBWIC-UHFFFAOYSA-N 0 0 450.557 2.642 40 0 JFABRN Cc1ccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222774268 569890728 /nfs/dbraw/zinc/89/07/28/569890728.db2.gz LUHNFEVNIQRXRM-NRSPTQNISA-N 0 0 453.583 2.968 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000222773902 569890763 /nfs/dbraw/zinc/89/07/63/569890763.db2.gz HWPWMZZCPZNRMM-UHFFFAOYSA-N 0 0 485.606 2.962 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222781250 569890912 /nfs/dbraw/zinc/89/09/12/569890912.db2.gz PYQZTZDYMGXYNF-QGZVFWFLSA-N 0 0 466.003 2.655 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222796760 569891320 /nfs/dbraw/zinc/89/13/20/569891320.db2.gz JDKIGDPMDSIFNP-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000222808631 569891639 /nfs/dbraw/zinc/89/16/39/569891639.db2.gz LSIFXNDSWSKFPD-SFHVURJKSA-N 0 0 489.638 2.922 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222816512 569891793 /nfs/dbraw/zinc/89/17/93/569891793.db2.gz GECVVLKNNDZEMV-QFIPXVFZSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222816568 569891817 /nfs/dbraw/zinc/89/18/17/569891817.db2.gz GECVVLKNNDZEMV-JOCHJYFZSA-N 0 0 475.611 2.793 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000222817417 569891852 /nfs/dbraw/zinc/89/18/52/569891852.db2.gz MUQCWDKQEBIQHN-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN Cc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)CN(C)S(C)(=O)=O)cc1 ZINC000222816979 569891882 /nfs/dbraw/zinc/89/18/82/569891882.db2.gz QQFNPDKXHNQOIK-KRWDZBQOSA-N 0 0 466.003 2.573 40 0 JFABRN CCc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222820205 569891956 /nfs/dbraw/zinc/89/19/56/569891956.db2.gz YKYQMWUUMADIJN-IBGZPJMESA-N 0 0 489.638 2.967 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222826724 569892090 /nfs/dbraw/zinc/89/20/90/569892090.db2.gz GPPFJUDWNYCKON-JOCHJYFZSA-N 0 0 493.601 2.932 40 0 JFABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)c(Cl)c1 ZINC000222842283 569892443 /nfs/dbraw/zinc/89/24/43/569892443.db2.gz WSNUBUMGKYEPAK-FQEVSTJZSA-N 0 0 496.969 2.764 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000222855029 569892801 /nfs/dbraw/zinc/89/28/01/569892801.db2.gz YCGCZMAVEIEEDN-SFHVURJKSA-N 0 0 489.638 2.922 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222858660 569892853 /nfs/dbraw/zinc/89/28/53/569892853.db2.gz ZLVBCGAYLITEJF-SFHVURJKSA-N 0 0 463.575 2.531 40 0 JFABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NCCSc2nc[nH]n2)cc1)c1ccccc1 ZINC000222856598 569892901 /nfs/dbraw/zinc/89/29/01/569892901.db2.gz BJLJKYSBUJCRAY-INIZCTEOSA-N 0 0 459.597 2.685 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(I)cc1 ZINC000222865852 569893065 /nfs/dbraw/zinc/89/30/65/569893065.db2.gz IHLQPDIOIOMBJU-CQSZACIVSA-N 0 0 482.318 2.842 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222866144 569893102 /nfs/dbraw/zinc/89/31/02/569893102.db2.gz OQDAHOOFXVFYMP-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222868581 569893148 /nfs/dbraw/zinc/89/31/48/569893148.db2.gz UTPIOXBSAGNHOO-JOCHJYFZSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000222868452 569893157 /nfs/dbraw/zinc/89/31/57/569893157.db2.gz XDQNBNJYNBPLOK-OAQYLSRUSA-N 0 0 493.601 2.932 40 0 JFABRN CCCNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000222870599 569893202 /nfs/dbraw/zinc/89/32/02/569893202.db2.gz KDXLDHHETWSWRS-UHFFFAOYSA-N 0 0 464.584 2.992 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222887234 569893606 /nfs/dbraw/zinc/89/36/06/569893606.db2.gz XSTDMQPKSOUWCK-QHCPKHFHSA-N 0 0 489.638 2.956 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000222890196 569893654 /nfs/dbraw/zinc/89/36/54/569893654.db2.gz OXGLRBBIJAHYPI-INIZCTEOSA-N 0 0 485.528 2.677 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000222890285 569893691 /nfs/dbraw/zinc/89/36/91/569893691.db2.gz QTGKIZHUEJOEAY-OAHLLOKOSA-N 0 0 486.421 2.965 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000222890343 569893753 /nfs/dbraw/zinc/89/37/53/569893753.db2.gz QTGKIZHUEJOEAY-HNNXBMFYSA-N 0 0 486.421 2.965 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000222892805 569893772 /nfs/dbraw/zinc/89/37/72/569893772.db2.gz JIMONQLYBQRSRV-OAHLLOKOSA-N 0 0 486.421 2.965 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000222902123 569893958 /nfs/dbraw/zinc/89/39/58/569893958.db2.gz ACYULXGEFAVMFH-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000222902735 569893966 /nfs/dbraw/zinc/89/39/66/569893966.db2.gz IJVLVGQKSJZKFG-LJQANCHMSA-N 0 0 473.639 2.956 40 0 JFABRN COc1ccc(C(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1S(=O)(=O)N1CCCC1 ZINC000222904751 569893972 /nfs/dbraw/zinc/89/39/72/569893972.db2.gz JIYCXDSTXORFOX-UHFFFAOYSA-N 0 0 487.607 2.787 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000222905928 569894026 /nfs/dbraw/zinc/89/40/26/569894026.db2.gz DTSDQAQSKVNNOA-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000222909697 569894124 /nfs/dbraw/zinc/89/41/24/569894124.db2.gz DMISRYZADJWHCY-LJQANCHMSA-N 0 0 459.612 2.782 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222913029 569894203 /nfs/dbraw/zinc/89/42/03/569894203.db2.gz ASRJSYNNDJRNSO-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222949872 569895231 /nfs/dbraw/zinc/89/52/31/569895231.db2.gz GJALDTKWYUJWGK-FQEVSTJZSA-N 0 0 489.594 2.515 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)c1 ZINC000222976786 569895943 /nfs/dbraw/zinc/89/59/43/569895943.db2.gz YHNSYXSZJIUTIH-QFIPXVFZSA-N 0 0 468.531 2.977 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1OC ZINC000222978284 569895989 /nfs/dbraw/zinc/89/59/89/569895989.db2.gz QQORFPLJNOPERQ-QHCPKHFHSA-N 0 0 468.531 2.977 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222982063 569896042 /nfs/dbraw/zinc/89/60/42/569896042.db2.gz SUTVOMXJHYCSAU-HXUWFJFHSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222984114 569896161 /nfs/dbraw/zinc/89/61/61/569896161.db2.gz NRUQZVFXSJXNRE-IBGZPJMESA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000222985814 569896199 /nfs/dbraw/zinc/89/61/99/569896199.db2.gz ZUQQWVQTGBXBLI-NRFANRHFSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223000069 569896596 /nfs/dbraw/zinc/89/65/96/569896596.db2.gz FOHZIUDUNRNFDL-INIZCTEOSA-N 0 0 496.427 2.769 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223028740 569897199 /nfs/dbraw/zinc/89/71/99/569897199.db2.gz MLAMMABSNSEWGY-JOCHJYFZSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223052885 569897852 /nfs/dbraw/zinc/89/78/52/569897852.db2.gz CEBBPFXDIBFFOV-QFIPXVFZSA-N 0 0 459.612 2.949 40 0 JFABRN COc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C(C)C ZINC000223054023 569897907 /nfs/dbraw/zinc/89/79/07/569897907.db2.gz MKGSVYQNGKCXPB-UHFFFAOYSA-N 0 0 452.598 2.822 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000223059172 569898045 /nfs/dbraw/zinc/89/80/45/569898045.db2.gz DBQAQIVRNPUVGK-UHFFFAOYSA-N 0 0 492.594 2.755 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223070715 569898517 /nfs/dbraw/zinc/89/85/17/569898517.db2.gz NYLIUOCAXNCKKN-ZYSHUDEJSA-N 0 0 490.398 2.644 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223075061 569898664 /nfs/dbraw/zinc/89/86/64/569898664.db2.gz QPYHDEAHZILVKY-NRFANRHFSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223075880 569898686 /nfs/dbraw/zinc/89/86/86/569898686.db2.gz LNBXUKCUPMKTFA-FQEVSTJZSA-N 0 0 466.003 2.968 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000223076874 569898741 /nfs/dbraw/zinc/89/87/41/569898741.db2.gz COVUBNMIACENRQ-QFIPXVFZSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000223115300 569899853 /nfs/dbraw/zinc/89/98/53/569899853.db2.gz KEHXHDRSPAUAMV-IBGZPJMESA-N 0 0 458.540 2.915 40 0 JFABRN CCSc1nnc(NC(=O)CN(c2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)s1 ZINC000223119307 569899954 /nfs/dbraw/zinc/89/99/54/569899954.db2.gz JGEVDADZVQIEPX-UHFFFAOYSA-N 0 0 466.994 2.725 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223120415 569900049 /nfs/dbraw/zinc/90/00/49/569900049.db2.gz XKPIMKKZDHJULH-FQEVSTJZSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223122242 569900117 /nfs/dbraw/zinc/90/01/17/569900117.db2.gz WWFVWLZPRRAWQB-FQEVSTJZSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223123825 569900218 /nfs/dbraw/zinc/90/02/18/569900218.db2.gz KUGLVVFCRGDQLA-IBGZPJMESA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223131276 569900484 /nfs/dbraw/zinc/90/04/84/569900484.db2.gz IKLISQHUXFHDPK-IAGOWNOFSA-N 0 0 489.569 2.692 40 0 JFABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 ZINC000223165215 569901668 /nfs/dbraw/zinc/90/16/68/569901668.db2.gz ITUGTMKNLXJXJG-DNQXCXABSA-N 0 0 491.617 2.964 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)[C@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)s2)cc1 ZINC000223175477 569902095 /nfs/dbraw/zinc/90/20/95/569902095.db2.gz JFUZVVHWAZCOJA-ZDUSSCGKSA-N 0 0 490.563 2.778 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223177650 569902223 /nfs/dbraw/zinc/90/22/23/569902223.db2.gz UXZURTFZSKRYRY-HXUWFJFHSA-N 0 0 481.018 2.506 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223178081 569902229 /nfs/dbraw/zinc/90/22/29/569902229.db2.gz NCKLUQMPQQKOMI-LJQANCHMSA-N 0 0 487.956 2.938 40 0 JFABRN CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(OC)cc1 ZINC000223182493 569902428 /nfs/dbraw/zinc/90/24/28/569902428.db2.gz YFIBARFDPVOZFW-QFIPXVFZSA-N 0 0 476.595 2.925 40 0 JFABRN CC[C@@H](NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(OC)cc1 ZINC000223182434 569902494 /nfs/dbraw/zinc/90/24/94/569902494.db2.gz YFIBARFDPVOZFW-JOCHJYFZSA-N 0 0 476.595 2.925 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223219903 569903857 /nfs/dbraw/zinc/90/38/57/569903857.db2.gz HRCYPOIPGRVQMM-IBGZPJMESA-N 0 0 487.956 2.938 40 0 JFABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223230072 569904247 /nfs/dbraw/zinc/90/42/47/569904247.db2.gz ZGRKUFQHXNBCPL-NHCUHLMSSA-N 0 0 482.624 2.911 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223252503 569904910 /nfs/dbraw/zinc/90/49/10/569904910.db2.gz LIFXXKLTFNDIHH-SFHVURJKSA-N 0 0 463.575 2.925 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223263378 569905282 /nfs/dbraw/zinc/90/52/82/569905282.db2.gz SEMGTMIKANAKKH-KRWDZBQOSA-N 0 0 498.388 2.691 40 0 JFABRN Cc1ccccc1-c1noc(CNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)n1 ZINC000223262408 569905320 /nfs/dbraw/zinc/90/53/20/569905320.db2.gz XWYDMIWFCXFZTP-CYBMUJFWSA-N 0 0 450.467 2.794 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223261744 569905335 /nfs/dbraw/zinc/90/53/35/569905335.db2.gz CKZKNSCNRCOJAD-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N(C)Cc1nc(-c2ccccc2C)no1 ZINC000223270962 569905609 /nfs/dbraw/zinc/90/56/09/569905609.db2.gz HKZCNXVTIJAMTB-UHFFFAOYSA-N 0 0 472.567 2.895 40 0 JFABRN CCCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)s1 ZINC000223312472 569906978 /nfs/dbraw/zinc/90/69/78/569906978.db2.gz HISAUVOYDWBIOO-UHFFFAOYSA-N 0 0 476.049 2.882 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223387003 569909487 /nfs/dbraw/zinc/90/94/87/569909487.db2.gz IMPJYESRPZBJFZ-NRFANRHFSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223387853 569909539 /nfs/dbraw/zinc/90/95/39/569909539.db2.gz NNLFRBCAWPNDFQ-LJQANCHMSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223387943 569909553 /nfs/dbraw/zinc/90/95/53/569909553.db2.gz XZOWACHKKIAGIR-FQEVSTJZSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223390686 569909673 /nfs/dbraw/zinc/90/96/73/569909673.db2.gz NOVOBQJIOHWIGX-OAQYLSRUSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223397844 569909865 /nfs/dbraw/zinc/90/98/65/569909865.db2.gz IVDHJLBJHPUNQC-IBGZPJMESA-N 0 0 473.016 2.773 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223406705 569910193 /nfs/dbraw/zinc/91/01/93/569910193.db2.gz WQNXJWMRKHJNSZ-NRFANRHFSA-N 0 0 451.523 2.625 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223431143 569911169 /nfs/dbraw/zinc/91/11/69/569911169.db2.gz KLGYXXYTZRGOFV-IBGZPJMESA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000223433448 569911251 /nfs/dbraw/zinc/91/12/51/569911251.db2.gz DZBRHVPNUPQMRY-FQEVSTJZSA-N 0 0 496.029 2.976 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000223437836 569911442 /nfs/dbraw/zinc/91/14/42/569911442.db2.gz VEFFHWXDYJWZFG-QFIPXVFZSA-N 0 0 475.611 2.577 40 0 JFABRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O[C@@H]1CC(=O)NC1=O ZINC000223467889 569912290 /nfs/dbraw/zinc/91/22/90/569912290.db2.gz RJQFEOQLJIVNSW-VQTJNVASSA-N 0 0 468.506 2.660 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223473781 569912473 /nfs/dbraw/zinc/91/24/73/569912473.db2.gz SDIPGGVUEDZWTN-QFIPXVFZSA-N 0 0 459.612 2.665 40 0 JFABRN CCc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000223480978 569912777 /nfs/dbraw/zinc/91/27/77/569912777.db2.gz AYKQMHPGHLFQTM-QFIPXVFZSA-N 0 0 459.612 2.611 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccc(Br)c2)no1)Cc1ccccc1F ZINC000223495979 569913493 /nfs/dbraw/zinc/91/34/93/569913493.db2.gz VNCNNJIBEDYSKB-UHFFFAOYSA-N 0 0 497.346 2.716 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223496932 569913514 /nfs/dbraw/zinc/91/35/14/569913514.db2.gz FRZGBPJZRYUESX-QFIPXVFZSA-N 0 0 459.612 2.683 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000223498689 569913653 /nfs/dbraw/zinc/91/36/53/569913653.db2.gz HSCSULLVKKHAPK-NRFANRHFSA-N 0 0 477.602 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223521118 569914424 /nfs/dbraw/zinc/91/44/24/569914424.db2.gz BEFAEMNTEQBOGZ-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223520846 569914426 /nfs/dbraw/zinc/91/44/26/569914426.db2.gz DZUSYIQKMUBJMQ-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000223536973 569915052 /nfs/dbraw/zinc/91/50/52/569915052.db2.gz LEFCBIOJNSTZHT-KRWDZBQOSA-N 0 0 494.620 2.932 40 0 JFABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223542803 569915354 /nfs/dbraw/zinc/91/53/54/569915354.db2.gz ZMGABYSTIOWDRK-NRFANRHFSA-N 0 0 488.654 2.676 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCOc1cccc2ccccc21 ZINC000223560630 569916097 /nfs/dbraw/zinc/91/60/97/569916097.db2.gz AXTOZDJFMFJEKQ-UHFFFAOYSA-N 0 0 467.591 2.893 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223562948 569916179 /nfs/dbraw/zinc/91/61/79/569916179.db2.gz HJNQQGWFQWEMIT-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223563379 569916247 /nfs/dbraw/zinc/91/62/47/569916247.db2.gz HRFNPAOXFRHFSL-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223566427 569916326 /nfs/dbraw/zinc/91/63/26/569916326.db2.gz ISJYLXJQAHWNPV-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OCC)cc3)no2)ccc1OC ZINC000223598956 569917392 /nfs/dbraw/zinc/91/73/92/569917392.db2.gz IUZCZNCSWJTBOU-UHFFFAOYSA-N 0 0 474.539 2.714 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223607333 569917705 /nfs/dbraw/zinc/91/77/05/569917705.db2.gz FGZQYFDOCHVFKW-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223611387 569917846 /nfs/dbraw/zinc/91/78/46/569917846.db2.gz IKYMWEBOXINLAA-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223610414 569917883 /nfs/dbraw/zinc/91/78/83/569917883.db2.gz FOCAYRKRHVKGTP-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223615266 569917981 /nfs/dbraw/zinc/91/79/81/569917981.db2.gz ZSMSSSPUDCNYMN-LJQANCHMSA-N 0 0 459.612 2.877 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223618468 569918024 /nfs/dbraw/zinc/91/80/24/569918024.db2.gz MUXIZZQDIZPHJQ-SFHVURJKSA-N 0 0 473.595 2.517 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223630840 569918402 /nfs/dbraw/zinc/91/84/02/569918402.db2.gz FDWPMMOSXGAHAK-KRWDZBQOSA-N 0 0 466.003 2.822 40 0 JFABRN CSc1nnc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)s1 ZINC000223639728 569918687 /nfs/dbraw/zinc/91/86/87/569918687.db2.gz UUFHYGNJAZWTCP-UHFFFAOYSA-N 0 0 478.577 2.865 40 0 JFABRN CCc1ccc(OCCNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 ZINC000223640861 569918698 /nfs/dbraw/zinc/91/86/98/569918698.db2.gz XNZWVTOZZSECLM-UHFFFAOYSA-N 0 0 455.374 2.973 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCOc1ccc2ccccc2c1 ZINC000223643062 569918711 /nfs/dbraw/zinc/91/87/11/569918711.db2.gz MQNAFQWMJCUHQK-UHFFFAOYSA-N 0 0 498.601 2.997 40 0 JFABRN COC(=O)c1ccc(CS(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000223657780 569919289 /nfs/dbraw/zinc/91/92/89/569919289.db2.gz VNFVLQIXHAXHJZ-UHFFFAOYSA-N 0 0 466.313 2.905 40 0 JFABRN CC(C)(C)c1ccccc1OCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223692418 569920143 /nfs/dbraw/zinc/92/01/43/569920143.db2.gz WYUQNRZAPYHXIS-UHFFFAOYSA-N 0 0 462.568 2.717 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223708353 569920687 /nfs/dbraw/zinc/92/06/87/569920687.db2.gz PTGLCZNKZJQYTE-MRXNPFEDSA-N 0 0 494.013 2.862 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223718690 569920972 /nfs/dbraw/zinc/92/09/72/569920972.db2.gz UYRKHUQOALQKQL-INIZCTEOSA-N 0 0 491.997 2.818 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223753250 569922164 /nfs/dbraw/zinc/92/21/64/569922164.db2.gz UASNSIBWBKZOSH-KRWDZBQOSA-N 0 0 481.018 2.506 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223753611 569922170 /nfs/dbraw/zinc/92/21/70/569922170.db2.gz PXXWIGSPRMPJII-CQSZACIVSA-N 0 0 487.956 2.938 40 0 JFABRN COc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c(OC)c1 ZINC000223757000 569922231 /nfs/dbraw/zinc/92/22/31/569922231.db2.gz JKAXCIUZAAKHKO-UHFFFAOYSA-N 0 0 450.557 2.788 40 0 JFABRN COCc1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 ZINC000223774135 569922891 /nfs/dbraw/zinc/92/28/91/569922891.db2.gz IFPMXLSFYZIAOU-UHFFFAOYSA-N 0 0 474.320 2.842 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223785515 569923212 /nfs/dbraw/zinc/92/32/12/569923212.db2.gz RBDBVRRCDRWGBC-SFHVURJKSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223785385 569923219 /nfs/dbraw/zinc/92/32/19/569923219.db2.gz XYUPJCNFYWKCAR-SFHVURJKSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223788843 569923375 /nfs/dbraw/zinc/92/33/75/569923375.db2.gz YQMGOAFCCJKGPU-HNNXBMFYSA-N 0 0 499.992 2.807 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223795705 569923613 /nfs/dbraw/zinc/92/36/13/569923613.db2.gz YLRUTULUSDRVRR-CQSZACIVSA-N 0 0 487.956 2.938 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCOc1ccccc1C(C)C ZINC000223833154 569924663 /nfs/dbraw/zinc/92/46/63/569924663.db2.gz KUERDHLCKOEOAI-UHFFFAOYSA-N 0 0 490.622 2.967 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223856914 569925329 /nfs/dbraw/zinc/92/53/29/569925329.db2.gz ZQYWOUNTNDIDND-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223858908 569925349 /nfs/dbraw/zinc/92/53/49/569925349.db2.gz XFAQRBVYYWBELF-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000223859812 569925412 /nfs/dbraw/zinc/92/54/12/569925412.db2.gz MPJFDIWSLHTENA-LJQANCHMSA-N 0 0 492.663 2.942 40 0 JFABRN Cc1cc(N(CC(=O)NCCOCc2ccccc2)S(C)(=O)=O)ccc1Br ZINC000223868799 569925668 /nfs/dbraw/zinc/92/56/68/569925668.db2.gz MHWPSBOMAFGSJP-UHFFFAOYSA-N 0 0 455.374 2.857 40 0 JFABRN Cc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000223874748 569925853 /nfs/dbraw/zinc/92/58/53/569925853.db2.gz RLFHAVGJQQQIKO-KRWDZBQOSA-N 0 0 452.598 2.822 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000223894855 569926512 /nfs/dbraw/zinc/92/65/12/569926512.db2.gz QOEWJLGNHZYKKY-PKOBYXMFSA-N 0 0 464.609 2.677 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000223923892 569927457 /nfs/dbraw/zinc/92/74/57/569927457.db2.gz TYULSBKTPKUHFV-IBGZPJMESA-N 0 0 460.596 2.786 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223979361 569929268 /nfs/dbraw/zinc/92/92/68/569929268.db2.gz GGLKYYQIPUSHQY-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223982608 569929399 /nfs/dbraw/zinc/92/93/99/569929399.db2.gz NMODYLDDJOJAGU-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN Cc1ccccc1OC[C@@H](C)NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223993786 569929738 /nfs/dbraw/zinc/92/97/38/569929738.db2.gz SCGQKJQBQKCCIL-GOSISDBHSA-N 0 0 462.568 2.896 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223999596 569929959 /nfs/dbraw/zinc/92/99/59/569929959.db2.gz XDHTZQZQJRPXHJ-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000224024365 569930934 /nfs/dbraw/zinc/93/09/34/569930934.db2.gz KZJSIDNVYWUGAT-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)n2)cc1 ZINC000224033061 569931282 /nfs/dbraw/zinc/93/12/82/569931282.db2.gz LLUNPTGADMKOGS-UHFFFAOYSA-N 0 0 468.535 2.913 40 0 JFABRN CC[C@@H](NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000224046286 569931661 /nfs/dbraw/zinc/93/16/61/569931661.db2.gz NTAVTUJKTRUGER-LJQANCHMSA-N 0 0 482.624 2.912 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1OC ZINC000224079676 569932634 /nfs/dbraw/zinc/93/26/34/569932634.db2.gz CYSUSGSJCVNXLD-UHFFFAOYSA-N 0 0 494.957 2.686 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224081438 569932662 /nfs/dbraw/zinc/93/26/62/569932662.db2.gz NSYBWBDMNINPGU-INIZCTEOSA-N 0 0 489.569 2.692 40 0 JFABRN Cc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000224085751 569932783 /nfs/dbraw/zinc/93/27/83/569932783.db2.gz LKNSSLXINKLEJT-FQEVSTJZSA-N 0 0 459.612 2.951 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000224092240 569933037 /nfs/dbraw/zinc/93/30/37/569933037.db2.gz GRYHUMBYNOQUPH-IBGZPJMESA-N 0 0 475.611 2.651 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224095688 569933108 /nfs/dbraw/zinc/93/31/08/569933108.db2.gz FIGMSRDWVLFPBN-QGZVFWFLSA-N 0 0 481.565 2.920 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224103211 569933271 /nfs/dbraw/zinc/93/32/71/569933271.db2.gz HZVIPYIQQHHGSK-IBGZPJMESA-N 0 0 492.617 2.628 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224107206 569933408 /nfs/dbraw/zinc/93/34/08/569933408.db2.gz QDDXDHAVJUROCH-OAQYLSRUSA-N 0 0 459.612 2.959 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224109841 569933521 /nfs/dbraw/zinc/93/35/21/569933521.db2.gz ORYWGDFJJAWBBF-FQEVSTJZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224170607 569935215 /nfs/dbraw/zinc/93/52/15/569935215.db2.gz HXVJIAAIWAMZNB-JOCHJYFZSA-N 0 0 459.612 2.867 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224173129 569935328 /nfs/dbraw/zinc/93/53/28/569935328.db2.gz JIWXAQFVTGIHGD-OAQYLSRUSA-N 0 0 485.606 2.863 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224173185 569935342 /nfs/dbraw/zinc/93/53/42/569935342.db2.gz JIWXAQFVTGIHGD-NRFANRHFSA-N 0 0 485.606 2.863 40 0 JFABRN COc1cc(CNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc(OC)c1OC ZINC000224203372 569936377 /nfs/dbraw/zinc/93/63/77/569936377.db2.gz AFCOYQVAUJPEKV-UHFFFAOYSA-N 0 0 450.557 2.883 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1ccccc1F ZINC000224204530 569936406 /nfs/dbraw/zinc/93/64/06/569936406.db2.gz QIMBYCUSGDPSBF-UHFFFAOYSA-N 0 0 459.499 2.749 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224205826 569936492 /nfs/dbraw/zinc/93/64/92/569936492.db2.gz QXXXGEOQVVIUBZ-HSZRJFAPSA-N 0 0 487.622 2.907 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224211238 569936679 /nfs/dbraw/zinc/93/66/79/569936679.db2.gz NLUTWLXEOOZCAP-JOCHJYFZSA-N 0 0 492.617 2.690 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224217194 569936870 /nfs/dbraw/zinc/93/68/70/569936870.db2.gz RBMATHFURTZHCC-OAQYLSRUSA-N 0 0 485.606 2.863 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224254945 569938259 /nfs/dbraw/zinc/93/82/59/569938259.db2.gz FLNGIOUDOOGDAK-QFIPXVFZSA-N 0 0 492.617 2.690 40 0 JFABRN Cc1cc(C)n(Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)cc2)n1 ZINC000224270564 569938709 /nfs/dbraw/zinc/93/87/09/569938709.db2.gz FMHJVQHZOXPCRE-UHFFFAOYSA-N 0 0 456.568 2.607 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224296950 569939661 /nfs/dbraw/zinc/93/96/61/569939661.db2.gz NCQPRLGQKIRSBL-QGZVFWFLSA-N 0 0 481.565 2.920 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000224309841 569940033 /nfs/dbraw/zinc/94/00/33/569940033.db2.gz RPAOQUADPIRMKK-UHFFFAOYSA-N 0 0 495.623 2.519 40 0 JFABRN CC[C@@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224321176 569940455 /nfs/dbraw/zinc/94/04/55/569940455.db2.gz DLZIWBSFVGTHTL-LBPRGKRZSA-N 0 0 479.005 2.640 40 0 JFABRN CSc1ccc(S(=O)(=O)NCCOc2cccc(C)c2)cc1C(=O)N1CCOCC1 ZINC000224323039 569940587 /nfs/dbraw/zinc/94/05/87/569940587.db2.gz FMJHCIQLGITCNL-UHFFFAOYSA-N 0 0 450.582 2.547 40 0 JFABRN CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000224332566 569940932 /nfs/dbraw/zinc/94/09/32/569940932.db2.gz FFYYNBPLRAJHMS-QGZVFWFLSA-N 0 0 494.620 2.932 40 0 JFABRN O=C(Cc1cccc(Br)c1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224350478 569941542 /nfs/dbraw/zinc/94/15/42/569941542.db2.gz PTBKWQUKZBMTAV-UHFFFAOYSA-N 0 0 467.385 2.971 40 0 JFABRN COc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 ZINC000224356213 569941810 /nfs/dbraw/zinc/94/18/10/569941810.db2.gz QVUXOBLOAANONX-UHFFFAOYSA-N 0 0 450.532 2.571 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224365774 569942103 /nfs/dbraw/zinc/94/21/03/569942103.db2.gz QKSWXGFYOBUACJ-OAQYLSRUSA-N 0 0 463.575 2.844 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224368714 569942264 /nfs/dbraw/zinc/94/22/64/569942264.db2.gz QFRFISKYFRPSLB-FQEVSTJZSA-N 0 0 467.538 2.674 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224368523 569942268 /nfs/dbraw/zinc/94/22/68/569942268.db2.gz NLULWCOVLHNVQB-LJQANCHMSA-N 0 0 467.538 2.674 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224374882 569942408 /nfs/dbraw/zinc/94/24/08/569942408.db2.gz VCTCWNNEJNOZIH-FQEVSTJZSA-N 0 0 467.538 2.674 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224374155 569942428 /nfs/dbraw/zinc/94/24/28/569942428.db2.gz UUAMSQYRLPYXKU-LJQANCHMSA-N 0 0 479.574 2.544 40 0 JFABRN CCc1cc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC ZINC000224419007 569943992 /nfs/dbraw/zinc/94/39/92/569943992.db2.gz FVVUHKIREFMZIQ-UHFFFAOYSA-N 0 0 482.624 2.790 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1C ZINC000224422680 569944135 /nfs/dbraw/zinc/94/41/35/569944135.db2.gz XIBUWPKCEQGYDW-UHFFFAOYSA-N 0 0 482.624 2.844 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224422990 569944136 /nfs/dbraw/zinc/94/41/36/569944136.db2.gz JQUGESNPBUKXJX-UHFFFAOYSA-N 0 0 489.015 2.881 40 0 JFABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000224428606 569944275 /nfs/dbraw/zinc/94/42/75/569944275.db2.gz CDYQGPXNJCQIDW-UHFFFAOYSA-N 0 0 459.351 2.823 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1 ZINC000224458591 569945138 /nfs/dbraw/zinc/94/51/38/569945138.db2.gz GMKJTQIHBCDSFR-HNNXBMFYSA-N 0 0 482.002 2.784 40 0 JFABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224461573 569945190 /nfs/dbraw/zinc/94/51/90/569945190.db2.gz MMHIXTXDLGICIF-LJQANCHMSA-N 0 0 490.622 2.968 40 0 JFABRN CC(C)c1ccccc1O[C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224474725 569945550 /nfs/dbraw/zinc/94/55/50/569945550.db2.gz JMJJWGYKBYOXER-LJQANCHMSA-N 0 0 476.595 2.793 40 0 JFABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224476397 569945643 /nfs/dbraw/zinc/94/56/43/569945643.db2.gz WEUYCFWGNHVGIW-JOCHJYFZSA-N 0 0 476.595 2.677 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000224483012 569945898 /nfs/dbraw/zinc/94/58/98/569945898.db2.gz RQVSYZXNVQHIRJ-MRXNPFEDSA-N 0 0 450.532 2.665 40 0 JFABRN Cc1cccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000224493498 569946221 /nfs/dbraw/zinc/94/62/21/569946221.db2.gz HGCWMKJPWWEDSX-NRFANRHFSA-N 0 0 473.639 2.993 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224528406 569947284 /nfs/dbraw/zinc/94/72/84/569947284.db2.gz FPUWXESDXLWYRT-JOCHJYFZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224528453 569947304 /nfs/dbraw/zinc/94/73/04/569947304.db2.gz FPUWXESDXLWYRT-QFIPXVFZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224529010 569947363 /nfs/dbraw/zinc/94/73/63/569947363.db2.gz ZIHGMCNTRRVWKW-JOCHJYFZSA-N 0 0 489.638 2.967 40 0 JFABRN C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224556203 569948275 /nfs/dbraw/zinc/94/82/75/569948275.db2.gz HXLCJSHLPUPPQH-QGZVFWFLSA-N 0 0 466.003 2.643 40 0 JFABRN Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1C ZINC000224556007 569948287 /nfs/dbraw/zinc/94/82/87/569948287.db2.gz PLBPJPRCXAJGRD-FQEVSTJZSA-N 0 0 459.612 2.607 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224567197 569948734 /nfs/dbraw/zinc/94/87/34/569948734.db2.gz JBOCZSCJWLTMEA-QFIPXVFZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224569772 569948911 /nfs/dbraw/zinc/94/89/11/569948911.db2.gz KDIXMDGLMSROCU-NRFANRHFSA-N 0 0 479.574 2.544 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000224570839 569949010 /nfs/dbraw/zinc/94/90/10/569949010.db2.gz NWVRHYYHTCXEAO-SANMLTNESA-N 0 0 499.677 2.810 40 0 JFABRN CC[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224579362 569949366 /nfs/dbraw/zinc/94/93/66/569949366.db2.gz YBEMZMUVNPZGGR-HSZRJFAPSA-N 0 0 473.639 2.997 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224606130 569950406 /nfs/dbraw/zinc/95/04/06/569950406.db2.gz NZSFEUNLOFCZBH-QFIPXVFZSA-N 0 0 459.612 2.747 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224608955 569950559 /nfs/dbraw/zinc/95/05/59/569950559.db2.gz IKQUHSYAHUSCSA-OAQYLSRUSA-N 0 0 489.638 2.756 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224614349 569950798 /nfs/dbraw/zinc/95/07/98/569950798.db2.gz CDSKJHITLCYTSV-NRFANRHFSA-N 0 0 463.575 2.578 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224614295 569950829 /nfs/dbraw/zinc/95/08/29/569950829.db2.gz CDSKJHITLCYTSV-OAQYLSRUSA-N 0 0 463.575 2.578 40 0 JFABRN CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224623248 569951226 /nfs/dbraw/zinc/95/12/26/569951226.db2.gz ICRKJVXSPRUVAT-JOCHJYFZSA-N 0 0 497.617 2.740 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224638974 569951830 /nfs/dbraw/zinc/95/18/30/569951830.db2.gz KCAVFTDEDIGZPP-MRXNPFEDSA-N 0 0 491.997 2.817 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224639018 569951859 /nfs/dbraw/zinc/95/18/59/569951859.db2.gz KCAVFTDEDIGZPP-INIZCTEOSA-N 0 0 491.997 2.817 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224644403 569952058 /nfs/dbraw/zinc/95/20/58/569952058.db2.gz LWNRLXKVWBOZAX-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000224665770 569952840 /nfs/dbraw/zinc/95/28/40/569952840.db2.gz WIAYUASJTUIYJC-WEVVVXLNSA-N 0 0 499.633 2.862 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224667921 569952908 /nfs/dbraw/zinc/95/29/08/569952908.db2.gz RCCYHGGDWGTLRB-QGZVFWFLSA-N 0 0 496.580 2.520 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)cc1 ZINC000224673258 569953114 /nfs/dbraw/zinc/95/31/14/569953114.db2.gz IEWZRDPUGBVAGG-ZDUSSCGKSA-N 0 0 480.493 2.884 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224687059 569953570 /nfs/dbraw/zinc/95/35/70/569953570.db2.gz JPEGVZGASMPKMO-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224690385 569953642 /nfs/dbraw/zinc/95/36/42/569953642.db2.gz YVMZFIXNFKXJNW-QGZVFWFLSA-N 0 0 481.565 2.983 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)c1cc(Cl)ccc1Cl ZINC000224718872 569954629 /nfs/dbraw/zinc/95/46/29/569954629.db2.gz KBYNRBZMVIASIT-UHFFFAOYSA-N 0 0 486.421 2.908 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224718372 569954635 /nfs/dbraw/zinc/95/46/35/569954635.db2.gz TVDWFUKWBAMGFL-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224721745 569954711 /nfs/dbraw/zinc/95/47/11/569954711.db2.gz YRPSFXPVHRHTIK-FQEVSTJZSA-N 0 0 459.612 2.607 40 0 JFABRN C[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224721861 569954745 /nfs/dbraw/zinc/95/47/45/569954745.db2.gz JXIPAFZPKQBTSN-QGZVFWFLSA-N 0 0 466.003 2.643 40 0 JFABRN CC(C)(C)c1ccc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224726461 569954885 /nfs/dbraw/zinc/95/48/85/569954885.db2.gz HJKBJIBQZDLCBP-UHFFFAOYSA-N 0 0 473.639 2.899 40 0 JFABRN COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1OC ZINC000224727732 569954995 /nfs/dbraw/zinc/95/49/95/569954995.db2.gz RKMJNDUKHXKGCF-MRXNPFEDSA-N 0 0 450.557 2.616 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224732395 569955233 /nfs/dbraw/zinc/95/52/33/569955233.db2.gz BWUZVSVXNYVGAP-HXUWFJFHSA-N 0 0 459.612 2.867 40 0 JFABRN Cc1cccc(N(CCCC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224742091 569955658 /nfs/dbraw/zinc/95/56/58/569955658.db2.gz CCSHCZWCSJODKB-UHFFFAOYSA-N 0 0 459.612 2.690 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000224743053 569955665 /nfs/dbraw/zinc/95/56/65/569955665.db2.gz DQDJFPIVPYQYIL-JOCHJYFZSA-N 0 0 478.014 2.642 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000224756413 569956219 /nfs/dbraw/zinc/95/62/19/569956219.db2.gz GYTIYKQQSDIAMP-NRFANRHFSA-N 0 0 492.041 2.889 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224762880 569956573 /nfs/dbraw/zinc/95/65/73/569956573.db2.gz ICIPMAURBQOLPC-HXUWFJFHSA-N 0 0 474.627 2.551 40 0 JFABRN COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224794293 569957922 /nfs/dbraw/zinc/95/79/22/569957922.db2.gz BXIWQCVOMNZSFY-UHFFFAOYSA-N 0 0 479.986 2.507 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224839066 569959807 /nfs/dbraw/zinc/95/98/07/569959807.db2.gz SGWIOQDWHUOYPM-FFZOFVMBSA-N 0 0 459.974 2.925 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224866131 569960819 /nfs/dbraw/zinc/96/08/19/569960819.db2.gz HEBBWTSVLMOALG-KRWDZBQOSA-N 0 0 491.585 2.738 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000224871267 569961107 /nfs/dbraw/zinc/96/11/07/569961107.db2.gz WRSCJZXLTOQOAU-UHFFFAOYSA-N 0 0 459.568 2.952 40 0 JFABRN COc1cccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)n2)c1 ZINC000224882731 569961760 /nfs/dbraw/zinc/96/17/60/569961760.db2.gz VFPWYRJZCVZBDB-UHFFFAOYSA-N 0 0 454.508 2.523 40 0 JFABRN COc1ccccc1N1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)CC1 ZINC000224884428 569961808 /nfs/dbraw/zinc/96/18/08/569961808.db2.gz OBFJODFJFWDTBQ-UHFFFAOYSA-N 0 0 473.580 2.618 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)c1 ZINC000224900333 569962379 /nfs/dbraw/zinc/96/23/79/569962379.db2.gz APKFLXMKOKXGTA-HNNXBMFYSA-N 0 0 474.539 2.567 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000224937449 569964101 /nfs/dbraw/zinc/96/41/01/569964101.db2.gz WWUDFOAGEHOWDX-UHFFFAOYSA-N 0 0 473.595 2.888 40 0 JFABRN COc1ccc(C)cc1NC(=O)CSc1nnc(CCNC(=O)c2ccccc2F)n1C ZINC000408594010 569965251 /nfs/dbraw/zinc/96/52/51/569965251.db2.gz CTVQIQMTXLXGDB-UHFFFAOYSA-N 0 0 457.531 2.975 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1Cl ZINC000408594396 569965499 /nfs/dbraw/zinc/96/54/99/569965499.db2.gz QGNFUPLXAXKBNV-YOCVDRLZSA-N 0 0 478.014 2.873 40 0 JFABRN CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224968460 569965859 /nfs/dbraw/zinc/96/58/59/569965859.db2.gz VKMOJKJAXOCWKU-QFIPXVFZSA-N 0 0 499.633 2.843 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)NCCO ZINC000408595044 569965937 /nfs/dbraw/zinc/96/59/37/569965937.db2.gz SYPWZWNRJZLIGF-UHFFFAOYSA-N 0 0 452.838 2.647 40 0 JFABRN COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408596345 569966725 /nfs/dbraw/zinc/96/67/25/569966725.db2.gz UJPHZKUUNGNSPW-ZDUSSCGKSA-N 0 0 457.346 2.780 40 0 JFABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000408597483 569967436 /nfs/dbraw/zinc/96/74/36/569967436.db2.gz WXGKQPPEKZDCAG-CLNPQZTCSA-N 0 0 471.623 3.000 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224987074 569967489 /nfs/dbraw/zinc/96/74/89/569967489.db2.gz BDSSPGBSYLIDHO-QZTJIDSGSA-N 0 0 463.575 2.924 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224987117 569967503 /nfs/dbraw/zinc/96/75/03/569967503.db2.gz BDSSPGBSYLIDHO-ZWKOTPCHSA-N 0 0 463.575 2.924 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000224987170 569967520 /nfs/dbraw/zinc/96/75/20/569967520.db2.gz QPJQBAVUPCWUMH-UHFFFAOYSA-N 0 0 468.373 2.690 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000224988237 569967614 /nfs/dbraw/zinc/96/76/14/569967614.db2.gz SPKNSEDPSQOOLA-UHFFFAOYSA-N 0 0 453.948 2.590 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408598118 569967907 /nfs/dbraw/zinc/96/79/07/569967907.db2.gz ZZZNVQZJOIIDND-CQSZACIVSA-N 0 0 472.519 2.949 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1 ZINC000408600159 569968357 /nfs/dbraw/zinc/96/83/57/569968357.db2.gz WBCMDRQRZYXFQM-UHFFFAOYSA-N 0 0 462.867 2.855 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 ZINC000225004150 569968627 /nfs/dbraw/zinc/96/86/27/569968627.db2.gz GOBFAXVJPWYXJQ-LSDHHAIUSA-N 0 0 466.556 2.753 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225004002 569968662 /nfs/dbraw/zinc/96/86/62/569968662.db2.gz VHBMHJWXNHDJNO-RTBURBONSA-N 0 0 485.606 2.943 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000225018788 569969577 /nfs/dbraw/zinc/96/95/77/569969577.db2.gz HDANKQVHENDKDE-LJQANCHMSA-N 0 0 489.638 2.967 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225020435 569969654 /nfs/dbraw/zinc/96/96/54/569969654.db2.gz AIAJDYNSVWXOCO-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225025055 569969841 /nfs/dbraw/zinc/96/98/41/569969841.db2.gz WJKHUYMGGJPERF-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225034640 569970582 /nfs/dbraw/zinc/97/05/82/569970582.db2.gz KJVISEWJHAMUOJ-LEWJYISDSA-N 0 0 488.654 2.940 40 0 JFABRN Cn1c2ccc(NC(=O)CCCN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2sc1=O ZINC000225042334 569971326 /nfs/dbraw/zinc/97/13/26/569971326.db2.gz UIXKRWSVAKXDBR-UHFFFAOYSA-N 0 0 463.537 2.514 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000225049963 569971807 /nfs/dbraw/zinc/97/18/07/569971807.db2.gz PJZJCVOTDCNTQW-HXUWFJFHSA-N 0 0 459.612 2.747 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000225052301 569972027 /nfs/dbraw/zinc/97/20/27/569972027.db2.gz GTQCCJLPNIAIED-HXUWFJFHSA-N 0 0 489.638 2.756 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225056716 569972371 /nfs/dbraw/zinc/97/23/71/569972371.db2.gz FJSGPJKXWAHGJS-GOSISDBHSA-N 0 0 463.575 2.578 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225069599 569973234 /nfs/dbraw/zinc/97/32/34/569973234.db2.gz YUNZZFOMOHJODP-UHFFFAOYSA-N 0 0 475.592 2.964 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225082314 569973893 /nfs/dbraw/zinc/97/38/93/569973893.db2.gz SZQIVJWXEKVXRI-JOCHJYFZSA-N 0 0 475.611 2.795 40 0 JFABRN Cc1cccc(C)c1N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)S(C)(=O)=O ZINC000408614309 569973905 /nfs/dbraw/zinc/97/39/05/569973905.db2.gz AQTAQSBAONOGSI-GOSISDBHSA-N 0 0 459.568 2.617 40 0 JFABRN Cc1cccc(C)c1N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O ZINC000408614310 569973915 /nfs/dbraw/zinc/97/39/15/569973915.db2.gz AQTAQSBAONOGSI-SFHVURJKSA-N 0 0 459.568 2.617 40 0 JFABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H](C)O)CC2=O)cc1 ZINC000408614814 569974153 /nfs/dbraw/zinc/97/41/53/569974153.db2.gz IJWSNIAQGKVRER-HOTGVXAUSA-N 0 0 459.930 2.516 40 0 JFABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 ZINC000408614815 569974174 /nfs/dbraw/zinc/97/41/74/569974174.db2.gz IJWSNIAQGKVRER-HZPDHXFCSA-N 0 0 459.930 2.516 40 0 JFABRN CCOc1ccc(N([C@H](C)C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)S(C)(=O)=O)cc1 ZINC000408614696 569974176 /nfs/dbraw/zinc/97/41/76/569974176.db2.gz GNABFRYCSULBGA-CQSZACIVSA-N 0 0 480.539 2.682 40 0 JFABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)S(C)(=O)=O)cc1 ZINC000408614695 569974194 /nfs/dbraw/zinc/97/41/94/569974194.db2.gz GNABFRYCSULBGA-AWEZNQCLSA-N 0 0 480.539 2.682 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000225089189 569974272 /nfs/dbraw/zinc/97/42/72/569974272.db2.gz OFTZUGXWXUPTII-HSZRJFAPSA-N 0 0 487.622 2.989 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225090573 569974375 /nfs/dbraw/zinc/97/43/75/569974375.db2.gz HZFSOSUBLCJEBY-QFIPXVFZSA-N 0 0 474.627 2.633 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000225096506 569974800 /nfs/dbraw/zinc/97/48/00/569974800.db2.gz AWRFTXZVEBQIJL-NRFANRHFSA-N 0 0 492.617 2.772 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccccc2Cl)cc1 ZINC000408615481 569974789 /nfs/dbraw/zinc/97/47/89/569974789.db2.gz ATNMJYMGSNUTTQ-UHFFFAOYSA-N 0 0 466.003 2.682 40 0 JFABRN Cc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000408615800 569975027 /nfs/dbraw/zinc/97/50/27/569975027.db2.gz SJVHZVZEZYDCNO-GHTZIAJQSA-N 0 0 451.523 2.661 40 0 JFABRN Cc1ccc(C)c(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)c1 ZINC000408615832 569975038 /nfs/dbraw/zinc/97/50/38/569975038.db2.gz SRXXDYYEZUNXPI-SIKLNZKXSA-N 0 0 465.550 2.969 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H](C)O)CC3=O)cc2)cc1Cl ZINC000408616397 569975430 /nfs/dbraw/zinc/97/54/30/569975430.db2.gz YNUUCXVKHGEFNA-JKSUJKDBSA-N 0 0 459.930 2.516 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H](C)O)CC3=O)cc2)cc1Cl ZINC000408616395 569975442 /nfs/dbraw/zinc/97/54/42/569975442.db2.gz YNUUCXVKHGEFNA-HOTGVXAUSA-N 0 0 459.930 2.516 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl ZINC000408618966 569977138 /nfs/dbraw/zinc/97/71/38/569977138.db2.gz HEDWUENXHWFMCR-MRXNPFEDSA-N 0 0 451.976 2.754 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)cc1Cl ZINC000408618971 569977148 /nfs/dbraw/zinc/97/71/48/569977148.db2.gz HFCHTAQDPWTDDJ-MRXNPFEDSA-N 0 0 482.002 2.763 40 0 JFABRN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(C)c(C(=O)N4CCOCC4)c3)CC2)c1C ZINC000408620452 569977802 /nfs/dbraw/zinc/97/78/02/569977802.db2.gz JSXITYMOGISSCV-UHFFFAOYSA-N 0 0 457.596 2.595 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc(C(=O)OC)c1 ZINC000408620524 569977850 /nfs/dbraw/zinc/97/78/50/569977850.db2.gz PANMPANBYDDDTN-ZDUSSCGKSA-N 0 0 468.487 2.949 40 0 JFABRN COc1cccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000408620726 569977939 /nfs/dbraw/zinc/97/79/39/569977939.db2.gz LBLIFNSCZGWQFI-UHFFFAOYSA-N 0 0 472.567 2.611 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225158650 569979049 /nfs/dbraw/zinc/97/90/49/569979049.db2.gz PVVCDYRMPZGWBP-NRFANRHFSA-N 0 0 485.606 2.863 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000408622969 569979113 /nfs/dbraw/zinc/97/91/13/569979113.db2.gz OKOORTBUCLYORD-QGZVFWFLSA-N 0 0 466.003 2.750 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccc(OC)c(OC)c1 ZINC000225161093 569979239 /nfs/dbraw/zinc/97/92/39/569979239.db2.gz ZYZGPCWKWFSPJF-UHFFFAOYSA-N 0 0 462.568 2.746 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(C(=O)OC)ccc1OC ZINC000225162178 569979404 /nfs/dbraw/zinc/97/94/04/569979404.db2.gz AWRJWCNYUVGKIJ-SFHVURJKSA-N 0 0 450.513 2.674 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000408624375 569979710 /nfs/dbraw/zinc/97/97/10/569979710.db2.gz SYQGRPRFGZMOPP-UHFFFAOYSA-N 0 0 481.574 2.975 40 0 JFABRN CC(C)n1c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2sc1=O ZINC000225183183 569980853 /nfs/dbraw/zinc/98/08/53/569980853.db2.gz JNZSVNXHQRIDHR-UHFFFAOYSA-N 0 0 461.565 2.917 40 0 JFABRN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1Cl ZINC000408626925 569980902 /nfs/dbraw/zinc/98/09/02/569980902.db2.gz YHFGPYVXTVSNGK-QGZVFWFLSA-N 0 0 479.986 2.962 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225189087 569981354 /nfs/dbraw/zinc/98/13/54/569981354.db2.gz CNEVWSHDLHPKNS-HZPDHXFCSA-N 0 0 491.997 2.817 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2cc(Cl)ccc2C)cc1 ZINC000408628106 569981364 /nfs/dbraw/zinc/98/13/64/569981364.db2.gz UDFGVBRENMIEIS-UHFFFAOYSA-N 0 0 466.003 2.601 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000408628117 569981406 /nfs/dbraw/zinc/98/14/06/569981406.db2.gz UMBGNLDKSCOPBB-HNNXBMFYSA-N 0 0 483.949 2.793 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)s2)cc1 ZINC000225197327 569981825 /nfs/dbraw/zinc/98/18/25/569981825.db2.gz FMAVRJNQRROJOD-UHFFFAOYSA-N 0 0 454.480 2.897 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000225197589 569981896 /nfs/dbraw/zinc/98/18/96/569981896.db2.gz JJWABPOXTBHXJG-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225208129 569982514 /nfs/dbraw/zinc/98/25/14/569982514.db2.gz QOCKCBCFKXSYAT-SFHVURJKSA-N 0 0 453.564 2.624 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225210160 569982649 /nfs/dbraw/zinc/98/26/49/569982649.db2.gz DZVBUWCZHYHVQV-INIZCTEOSA-N 0 0 467.538 2.674 40 0 JFABRN COC(=O)Cc1ccc(NC(=S)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000225223947 569983681 /nfs/dbraw/zinc/98/36/81/569983681.db2.gz ACOIEDSTLQFVHC-UHFFFAOYSA-N 0 0 473.595 2.943 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225226871 569983982 /nfs/dbraw/zinc/98/39/82/569983982.db2.gz VZTXSWSUCOUMLF-ZWKOTPCHSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(C)ccc4O3)s2)cc1 ZINC000225252233 569986012 /nfs/dbraw/zinc/98/60/12/569986012.db2.gz KPGRDEQMJBSQCQ-QGZVFWFLSA-N 0 0 460.537 2.688 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC[C@@H]3CCCO3)c(Cl)c2)cc1 ZINC000408635895 569986237 /nfs/dbraw/zinc/98/62/37/569986237.db2.gz JDHVPPNSTIYOLJ-INIZCTEOSA-N 0 0 454.932 2.823 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000225259838 569986520 /nfs/dbraw/zinc/98/65/20/569986520.db2.gz ODJMXXNLZPTFTI-CYFREDJKSA-N 0 0 480.542 2.740 40 0 JFABRN CN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000408636307 569986578 /nfs/dbraw/zinc/98/65/78/569986578.db2.gz NWRSYPRXNMPGLN-UHFFFAOYSA-N 0 0 458.367 2.947 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225262298 569986647 /nfs/dbraw/zinc/98/66/47/569986647.db2.gz PGZKRHKHQOATAN-OAQYLSRUSA-N 0 0 463.575 2.925 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225263502 569986745 /nfs/dbraw/zinc/98/67/45/569986745.db2.gz PJTJGRHWWWDPNZ-JOCHJYFZSA-N 0 0 493.601 2.934 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000225264780 569986881 /nfs/dbraw/zinc/98/68/81/569986881.db2.gz RCHSHVKKNDVKPB-LJQANCHMSA-N 0 0 464.971 2.838 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225275030 569987578 /nfs/dbraw/zinc/98/75/78/569987578.db2.gz LWBKBCIVVYXQHI-HBMCJLEFSA-N 0 0 457.546 2.800 40 0 JFABRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)n1 ZINC000225286896 569988433 /nfs/dbraw/zinc/98/84/33/569988433.db2.gz JYXYFWJFSNMECE-UHFFFAOYSA-N 0 0 454.552 2.821 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225363559 569992984 /nfs/dbraw/zinc/99/29/84/569992984.db2.gz OPRDNPUHMQHJDE-ZWKOTPCHSA-N 0 0 493.601 2.932 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1 ZINC000408650135 569993518 /nfs/dbraw/zinc/99/35/18/569993518.db2.gz AQLJAVLWFGAOSK-LJQANCHMSA-N 0 0 495.532 2.627 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1 ZINC000408650133 569993551 /nfs/dbraw/zinc/99/35/51/569993551.db2.gz AQLJAVLWFGAOSK-IBGZPJMESA-N 0 0 495.532 2.627 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OCC)cc3)C2)cc1 ZINC000408650094 569993576 /nfs/dbraw/zinc/99/35/76/569993576.db2.gz ANBPUTQHCOXCAM-IBGZPJMESA-N 0 0 496.516 2.965 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225372048 569993600 /nfs/dbraw/zinc/99/36/00/569993600.db2.gz QNLUATUXUOKLTI-YHBROIRLSA-N 0 0 469.582 2.668 40 0 JFABRN Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)c1 ZINC000408650986 569994049 /nfs/dbraw/zinc/99/40/49/569994049.db2.gz CPJPNYYNOOFYRO-CYBMUJFWSA-N 0 0 464.305 2.977 40 0 JFABRN COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc4ccccc43)CC2=O)c1 ZINC000408651252 569994146 /nfs/dbraw/zinc/99/41/46/569994146.db2.gz CURUBXPIQDEVLI-SFHVURJKSA-N 0 0 491.500 2.532 40 0 JFABRN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 ZINC000408651344 569994227 /nfs/dbraw/zinc/99/42/27/569994227.db2.gz DFLJIGDCRWPNHU-CYBMUJFWSA-N 0 0 464.305 2.977 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000225388926 569994446 /nfs/dbraw/zinc/99/44/46/569994446.db2.gz HYAVIVFNWBVXBW-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN COC(=O)COc1c(I)cc(I)c2cccnc21 ZINC000225393313 569994755 /nfs/dbraw/zinc/99/47/55/569994755.db2.gz MLZCSHLZGUZNTD-UHFFFAOYSA-N 0 0 469.016 2.996 40 0 JFABRN O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NC[C@H]1CCCO1 ZINC000408652813 569995173 /nfs/dbraw/zinc/99/51/73/569995173.db2.gz IJQNJUPRKRPANX-LLRQQQKNSA-N 0 0 485.367 2.875 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225405835 569995233 /nfs/dbraw/zinc/99/52/33/569995233.db2.gz PGQDQKYYAAETLM-AWEZNQCLSA-N 0 0 472.394 2.777 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)Nc1ccccc1 ZINC000408653086 569995303 /nfs/dbraw/zinc/99/53/03/569995303.db2.gz HUWOPBBUHRBKMD-LBPRGKRZSA-N 0 0 450.278 2.669 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000225423538 569996157 /nfs/dbraw/zinc/99/61/57/569996157.db2.gz KFKLYZCZFGQPJZ-HNNXBMFYSA-N 0 0 469.966 2.717 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000225422876 569996165 /nfs/dbraw/zinc/99/61/65/569996165.db2.gz UXOQCJXVAJKOOP-CQSZACIVSA-N 0 0 489.491 2.774 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 ZINC000408655221 569996789 /nfs/dbraw/zinc/99/67/89/569996789.db2.gz LQIIBGUAUMFWLX-AWEZNQCLSA-N 0 0 464.305 2.977 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225438200 569996809 /nfs/dbraw/zinc/99/68/09/569996809.db2.gz NZCUHIMGYVRIPY-WOJBJXKFSA-N 0 0 489.638 2.836 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225437135 569996840 /nfs/dbraw/zinc/99/68/40/569996840.db2.gz KHJHBAWYYUJBPV-QGZVFWFLSA-N 0 0 471.554 2.763 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225437919 569996841 /nfs/dbraw/zinc/99/68/41/569996841.db2.gz NDTLZNFKACTBJB-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC)S(C)(=O)=O ZINC000225438069 569996855 /nfs/dbraw/zinc/99/68/55/569996855.db2.gz BLHSJABYRCAHLL-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225446316 569997164 /nfs/dbraw/zinc/99/71/64/569997164.db2.gz XRCVCMDXVACUOQ-HSZRJFAPSA-N 0 0 473.639 2.992 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000225450556 569997376 /nfs/dbraw/zinc/99/73/76/569997376.db2.gz OZRPWZYTAPBSRM-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225472158 569998331 /nfs/dbraw/zinc/99/83/31/569998331.db2.gz XNZPSSRCYPZEKT-SFHVURJKSA-N 0 0 471.579 2.553 40 0 JFABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000225488470 569999303 /nfs/dbraw/zinc/99/93/03/569999303.db2.gz UFMIPGMJALHTAL-QGZVFWFLSA-N 0 0 474.535 2.938 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000225490377 569999520 /nfs/dbraw/zinc/99/95/20/569999520.db2.gz JBVGYHNYRKULSD-HNNXBMFYSA-N 0 0 486.366 2.989 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)Nc1ccc(F)cc1 ZINC000408659423 569999571 /nfs/dbraw/zinc/99/95/71/569999571.db2.gz SIOWBEPSWRXEKQ-GFCCVEGCSA-N 0 0 468.268 2.808 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1 ZINC000225493372 569999707 /nfs/dbraw/zinc/99/97/07/569999707.db2.gz UTGISRQESMGQBB-UHFFFAOYSA-N 0 0 488.541 2.944 40 0 JFABRN Cc1cc(NC(=O)COC(=O)CN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)no1 ZINC000408659715 569999715 /nfs/dbraw/zinc/99/97/15/569999715.db2.gz MSJKSCJPHGEILV-UHFFFAOYSA-N 0 0 481.075 3.375 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225503276 570000563 /nfs/dbraw/zinc/00/05/63/570000563.db2.gz INTGJBKRCJCOBJ-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225505430 570000671 /nfs/dbraw/zinc/00/06/71/570000671.db2.gz TZSWBRKLBFRBGJ-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225506302 570000780 /nfs/dbraw/zinc/00/07/80/570000780.db2.gz LDLNXGGGPHAZIP-DEOSSOPVSA-N 0 0 497.592 2.978 40 0 JFABRN Cc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225511716 570001176 /nfs/dbraw/zinc/00/11/76/570001176.db2.gz VOYGSWPFXRTBST-IBGZPJMESA-N 0 0 485.606 2.862 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000408661954 570001356 /nfs/dbraw/zinc/00/13/56/570001356.db2.gz OZENNCUVVCSBLU-OYRHEFFESA-N 0 0 461.474 2.896 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)Nc1cccc(Cl)c1 ZINC000408661992 570001358 /nfs/dbraw/zinc/00/13/58/570001358.db2.gz WQGIIRPVINHJGV-CYBMUJFWSA-N 0 0 450.278 2.669 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)c1 ZINC000225515900 570001637 /nfs/dbraw/zinc/00/16/37/570001637.db2.gz YUVOUCHRYYZSAO-GOSISDBHSA-N 0 0 470.551 2.805 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000408662788 570001975 /nfs/dbraw/zinc/00/19/75/570001975.db2.gz YACQNAXALMROCW-CYBMUJFWSA-N 0 0 450.278 2.669 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000408663300 570002279 /nfs/dbraw/zinc/00/22/79/570002279.db2.gz NEFJBSBSGKXLSH-UHFFFAOYSA-N 0 0 470.478 2.939 40 0 JFABRN CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000408663412 570002366 /nfs/dbraw/zinc/00/23/66/570002366.db2.gz YALGCVWBJZAOAW-IBGZPJMESA-N 0 0 479.533 2.862 40 0 JFABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1 ZINC000408664446 570003234 /nfs/dbraw/zinc/00/32/34/570003234.db2.gz ZRAGBHLFDVDQSY-CYBMUJFWSA-N 0 0 464.305 2.977 40 0 JFABRN Cc1cccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1 ZINC000225541511 570004079 /nfs/dbraw/zinc/00/40/79/570004079.db2.gz GNSAHDYZRMCFSV-QGZVFWFLSA-N 0 0 458.515 2.901 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)cc1 ZINC000225542168 570004136 /nfs/dbraw/zinc/00/41/36/570004136.db2.gz DYNDEQPDGBOQDM-QGZVFWFLSA-N 0 0 488.541 2.944 40 0 JFABRN CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000408667290 570005303 /nfs/dbraw/zinc/00/53/03/570005303.db2.gz SJQLKQJPWOEHQJ-FQEVSTJZSA-N 0 0 451.479 2.982 40 0 JFABRN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC(C)(C)O2 ZINC000225563114 570005875 /nfs/dbraw/zinc/00/58/75/570005875.db2.gz MRAWISRMXJNBEM-FQEVSTJZSA-N 0 0 460.552 2.748 40 0 JFABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225565714 570006159 /nfs/dbraw/zinc/00/61/59/570006159.db2.gz GOFDEPKDFUXAHT-UHFFFAOYSA-N 0 0 476.942 2.683 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000225581460 570007325 /nfs/dbraw/zinc/00/73/25/570007325.db2.gz LQXWFIGJTZMENU-KRWDZBQOSA-N 0 0 479.574 2.542 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)cc1 ZINC000408671039 570007492 /nfs/dbraw/zinc/00/74/92/570007492.db2.gz RZHABSPRSUDOOW-KRWDZBQOSA-N 0 0 454.479 2.797 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000408672870 570008435 /nfs/dbraw/zinc/00/84/35/570008435.db2.gz XSBRRAGEPYZGJC-CQSZACIVSA-N 0 0 474.311 2.942 40 0 JFABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3=O)ccc21 ZINC000225602302 570008708 /nfs/dbraw/zinc/00/87/08/570008708.db2.gz VXHAFZJIJOZSGJ-UHFFFAOYSA-N 0 0 453.564 2.587 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCN(c2ccccc2OC)CC1 ZINC000225609203 570009142 /nfs/dbraw/zinc/00/91/42/570009142.db2.gz JJDYIOVUBMVKFA-UHFFFAOYSA-N 0 0 487.622 2.770 40 0 JFABRN COc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000225610085 570009287 /nfs/dbraw/zinc/00/92/87/570009287.db2.gz HXNHWCFOWJSORQ-UHFFFAOYSA-N 0 0 495.623 2.665 40 0 JFABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000225616631 570009929 /nfs/dbraw/zinc/00/99/29/570009929.db2.gz PFGADNREBYPLCQ-UHFFFAOYSA-N 0 0 497.664 2.842 40 0 JFABRN CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000225626096 570010521 /nfs/dbraw/zinc/01/05/21/570010521.db2.gz GZDOVKQSELJTQK-LJQANCHMSA-N 0 0 470.638 2.700 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225659460 570012967 /nfs/dbraw/zinc/01/29/67/570012967.db2.gz DHKVDABYTSJPDV-INIZCTEOSA-N 0 0 497.564 2.681 40 0 JFABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000225662358 570013162 /nfs/dbraw/zinc/01/31/62/570013162.db2.gz OVPOCYDLWJKATC-QGZVFWFLSA-N 0 0 495.623 2.663 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000225672393 570013811 /nfs/dbraw/zinc/01/38/11/570013811.db2.gz VQQHKFBEDLYCCW-UHFFFAOYSA-N 0 0 456.568 2.689 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225687763 570014700 /nfs/dbraw/zinc/01/47/00/570014700.db2.gz XSLHVUSCXWILJF-SFHVURJKSA-N 0 0 463.575 2.576 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225690795 570014958 /nfs/dbraw/zinc/01/49/58/570014958.db2.gz VUTZLHYGQDMXGD-QGZVFWFLSA-N 0 0 489.569 2.550 40 0 JFABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000225694610 570015370 /nfs/dbraw/zinc/01/53/70/570015370.db2.gz NIEPIQBHRHTREJ-GOSISDBHSA-N 0 0 478.567 2.752 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C(=O)N1CCOCC1 ZINC000408693382 570016056 /nfs/dbraw/zinc/01/60/56/570016056.db2.gz RHJUYECFAGUCPB-UHFFFAOYSA-N 0 0 459.351 2.953 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225706614 570016219 /nfs/dbraw/zinc/01/62/19/570016219.db2.gz ZGCNZJCLGLGYFQ-QFIPXVFZSA-N 0 0 475.611 2.793 40 0 JFABRN CC(C)n1c2ccc(S(=O)(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2sc1=O ZINC000225715080 570016971 /nfs/dbraw/zinc/01/69/71/570016971.db2.gz ZUZVEXHNLSPCGX-UHFFFAOYSA-N 0 0 481.621 2.646 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225716094 570017073 /nfs/dbraw/zinc/01/70/73/570017073.db2.gz GOHFRCYVHNFJGB-OAQYLSRUSA-N 0 0 485.606 2.943 40 0 JFABRN CC[C@@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000225724061 570017857 /nfs/dbraw/zinc/01/78/57/570017857.db2.gz PWEQCUHJSTWPRF-GOSISDBHSA-N 0 0 455.627 2.924 40 0 JFABRN CCCn1c2ccc(S(=O)(=O)NCc3ccccc3CN3CCOCC3)cc2sc1=O ZINC000225734951 570018579 /nfs/dbraw/zinc/01/85/79/570018579.db2.gz SZLWGUWUXIRRJK-UHFFFAOYSA-N 0 0 461.609 2.784 40 0 JFABRN O=C(Cn1ccc(=O)c2ccc(Br)cc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000225741622 570018923 /nfs/dbraw/zinc/01/89/23/570018923.db2.gz MMLAOTQPYQNXSJ-UHFFFAOYSA-N 0 0 484.350 2.837 40 0 JFABRN CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1NC(=O)CC ZINC000408699116 570020407 /nfs/dbraw/zinc/02/04/07/570020407.db2.gz UWAXJMICYPWRAP-UHFFFAOYSA-N 0 0 464.496 2.808 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSCc2ccccc2C)cc1OC ZINC000225760605 570020541 /nfs/dbraw/zinc/02/05/41/570020541.db2.gz CYTJJDZESWSNRJ-UHFFFAOYSA-N 0 0 452.598 2.682 40 0 JFABRN CCOc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1S(=O)(=O)NC(C)C ZINC000408700656 570021334 /nfs/dbraw/zinc/02/13/34/570021334.db2.gz JTUCIDAWDRUHMJ-UHFFFAOYSA-N 0 0 461.584 2.743 40 0 JFABRN O=c1sc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225792158 570021984 /nfs/dbraw/zinc/02/19/84/570021984.db2.gz BGYCOAUFDHYSKU-UHFFFAOYSA-N 0 0 482.027 2.765 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2ccc(Cl)cc2)cc1OC ZINC000225800567 570022377 /nfs/dbraw/zinc/02/23/77/570022377.db2.gz AFOZIUNNOFITCD-UHFFFAOYSA-N 0 0 458.989 2.886 40 0 JFABRN CN(Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1)S(C)(=O)=O ZINC000408702999 570023017 /nfs/dbraw/zinc/02/30/17/570023017.db2.gz LUEMEGVJAPMXFB-UHFFFAOYSA-N 0 0 459.568 2.722 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C(=O)N1CCC(C)CC1 ZINC000408703706 570023453 /nfs/dbraw/zinc/02/34/53/570023453.db2.gz XFOMOQYJWIXRTB-UHFFFAOYSA-N 0 0 472.567 2.559 40 0 JFABRN Cc1cccc(CSCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000408704113 570023705 /nfs/dbraw/zinc/02/37/05/570023705.db2.gz JQPPZHHIBOIZIE-QGZVFWFLSA-N 0 0 464.609 2.970 40 0 JFABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704526 570024039 /nfs/dbraw/zinc/02/40/39/570024039.db2.gz OZYDYZZWUBVTRW-JKSUJKDBSA-N 0 0 475.567 2.779 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCSCc1ccc(C)cc1)c1ccc2c(c1)OCCO2 ZINC000408705510 570024691 /nfs/dbraw/zinc/02/46/91/570024691.db2.gz HJBBTUUZXUADAD-UHFFFAOYSA-N 0 0 464.609 2.972 40 0 JFABRN COc1ccccc1N1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)CC1 ZINC000225853462 570024939 /nfs/dbraw/zinc/02/49/39/570024939.db2.gz OYLMAMNREWVIDF-UHFFFAOYSA-N 0 0 473.580 2.618 40 0 JFABRN CCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)c1ccc2c(c1)OCCO2 ZINC000408706222 570025142 /nfs/dbraw/zinc/02/51/42/570025142.db2.gz XUEJACVTGSDNQY-UHFFFAOYSA-N 0 0 473.595 2.580 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccc2c(c1)OCO2 ZINC000408706394 570025253 /nfs/dbraw/zinc/02/52/53/570025253.db2.gz LFJNRTHJQYCGTB-UHFFFAOYSA-N 0 0 488.303 2.815 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408712955 570025349 /nfs/dbraw/zinc/02/53/49/570025349.db2.gz DFLHZPLYSDSLGH-UHFFFAOYSA-N 0 0 463.865 2.864 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000408713741 570025580 /nfs/dbraw/zinc/02/55/80/570025580.db2.gz RIMZJIQGROXDLU-CQSZACIVSA-N 0 0 450.488 2.645 40 0 JFABRN CCCN1c2ccc(C(=O)N3C[C@H](C(=O)OC)Oc4ccccc43)cc2S(=O)(=O)N=C1C ZINC000225866027 570025636 /nfs/dbraw/zinc/02/56/36/570025636.db2.gz WETVWCABVXQSRA-LJQANCHMSA-N 0 0 457.508 2.605 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)c2ccccc2O1 ZINC000225867479 570025732 /nfs/dbraw/zinc/02/57/32/570025732.db2.gz SSFLAQLJAZYNBA-HXUWFJFHSA-N 0 0 471.535 2.851 40 0 JFABRN CC1CCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NCCN3CCOCC3)n2)CC1 ZINC000225904040 570026771 /nfs/dbraw/zinc/02/67/71/570026771.db2.gz SBAOEYUGCIXCAW-IBGZPJMESA-N 0 0 461.680 2.710 40 0 JFABRN FC(F)(F)c1cc(N2CCc3ccccc3C2)nc(NC(=S)NCCN2CCOCC2)n1 ZINC000225905680 570026917 /nfs/dbraw/zinc/02/69/17/570026917.db2.gz YBFBLLBOUSKDFA-UHFFFAOYSA-N 0 0 466.533 2.677 40 0 JFABRN COCc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@@H]3[C@H]3C(=O)N(c4cccc(COC)c4)C(=O)[C@H]32)c1 ZINC000408723742 570027713 /nfs/dbraw/zinc/02/77/13/570027713.db2.gz HVVWFACYFBIXKA-NLCRGRMESA-N 0 0 486.524 2.707 40 0 JFABRN CCOC(=O)COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2F)cc1 ZINC000225922506 570027821 /nfs/dbraw/zinc/02/78/21/570027821.db2.gz CATJOQALNLUXBB-UHFFFAOYSA-N 0 0 452.504 2.604 40 0 JFABRN COc1ccc(CNC(=S)Nc2nc(Sc3ncccn3)cc(N3CCOCC3)n2)cc1 ZINC000225931056 570028256 /nfs/dbraw/zinc/02/82/56/570028256.db2.gz WEUAQEYHCLAFMV-UHFFFAOYSA-N 0 0 469.596 2.750 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N[C@@H]1c1ccc2c(c1)OCO2 ZINC000408729130 570028734 /nfs/dbraw/zinc/02/87/34/570028734.db2.gz ASXLSPDAEJBPRC-VMOHIOPYSA-N 0 0 478.526 2.645 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949259 570029393 /nfs/dbraw/zinc/02/93/93/570029393.db2.gz DRTJRILKNKPIFM-GOSISDBHSA-N 0 0 474.004 2.518 40 0 JFABRN COC(=O)CN1C(=O)c2c(O)n(-c3ccc(OC)cc3)c(O)c2C1(c1ccccc1)c1ccccc1 ZINC000408734015 570029852 /nfs/dbraw/zinc/02/98/52/570029852.db2.gz CSSPRTKQPWFRRJ-ZEQRLZLVSA-N 0 0 484.508 2.760 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3O)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408739210 570031421 /nfs/dbraw/zinc/03/14/21/570031421.db2.gz UEKMHDZSVBDBEA-AFHVAHMMSA-N 0 0 480.542 2.608 40 0 JFABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCSc1nc[nH]n1 ZINC000226003151 570031999 /nfs/dbraw/zinc/03/19/99/570031999.db2.gz ULNMQLMCXMBHPJ-UHFFFAOYSA-N 0 0 480.015 2.600 40 0 JFABRN C[C@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 ZINC000226012283 570032623 /nfs/dbraw/zinc/03/26/23/570032623.db2.gz XVWYSGCVLNMYIX-INIZCTEOSA-N 0 0 470.599 2.907 40 0 JFABRN CN(CC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000226036519 570033637 /nfs/dbraw/zinc/03/36/37/570033637.db2.gz LDNPGIHQWSODQW-QHCPKHFHSA-N 0 0 497.548 2.557 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(CC(N)=O)cc1)Cc1ccccc1 ZINC000226045771 570034074 /nfs/dbraw/zinc/03/40/74/570034074.db2.gz YKNKKVZRKHDOPD-UHFFFAOYSA-N 0 0 481.574 2.861 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)NC4CC4)cc3C)c2)n1 ZINC000226053948 570034666 /nfs/dbraw/zinc/03/46/66/570034666.db2.gz RZHYDRWMNGVVRF-UHFFFAOYSA-N 0 0 468.535 2.512 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000226063292 570035234 /nfs/dbraw/zinc/03/52/34/570035234.db2.gz IVLMPHKYDHGLKY-GOSISDBHSA-N 0 0 487.361 2.722 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(C)S(=O)(=O)c3ccc(Br)cc3)c2)n1 ZINC000226065086 570035361 /nfs/dbraw/zinc/03/53/61/570035361.db2.gz HDBHGLBGKBOELT-UHFFFAOYSA-N 0 0 491.367 2.767 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c2ccccc2O1 ZINC000226076359 570036126 /nfs/dbraw/zinc/03/61/26/570036126.db2.gz JCHLDINEODKLRG-JOCHJYFZSA-N 0 0 486.590 2.980 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 ZINC000226078589 570036416 /nfs/dbraw/zinc/03/64/16/570036416.db2.gz XCSMBXKUPMZNCQ-UHFFFAOYSA-N 0 0 490.578 2.849 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1 ZINC000226088008 570036840 /nfs/dbraw/zinc/03/68/40/570036840.db2.gz QDZAFKBSJILWAI-UHFFFAOYSA-N 0 0 488.566 2.726 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408776882 570040407 /nfs/dbraw/zinc/04/04/07/570040407.db2.gz ROHZXHPWYFOZLL-WLJFKGHSSA-N 0 0 480.517 2.863 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408776877 570040430 /nfs/dbraw/zinc/04/04/30/570040430.db2.gz ROHZXHPWYFOZLL-VLOXRPPESA-N 0 0 480.517 2.863 40 0 JFABRN CCN(CC)C(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 ZINC000408791299 570043941 /nfs/dbraw/zinc/04/39/41/570043941.db2.gz VSRREADAIAQAAI-UHFFFAOYSA-N 0 0 456.568 2.548 40 0 JFABRN CC(C)CCN1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000231620472 570046643 /nfs/dbraw/zinc/04/66/43/570046643.db2.gz OUEYSXIPPYPTFG-DDLMJQNMSA-N 0 0 459.631 2.937 40 0 JFABRN CCOC(=O)[C@]1(C)N[C@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000245229718 570056180 /nfs/dbraw/zinc/05/61/80/570056180.db2.gz DSWHZCCDFZIMPG-UXGLMHHASA-N 0 0 480.517 2.678 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408908368 570071589 /nfs/dbraw/zinc/07/15/89/570071589.db2.gz RQDTTWZRXAZVCC-VOSMRYOYSA-N 0 0 494.569 2.911 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408910906 570072643 /nfs/dbraw/zinc/07/26/43/570072643.db2.gz MEVDRMPBTKNUGO-ITICKHJUSA-N 0 0 468.531 2.799 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408944633 570083263 /nfs/dbraw/zinc/08/32/63/570083263.db2.gz NAWSXFKFNYGBRJ-JYWRCUDFSA-N 0 0 470.934 2.776 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408953382 570084486 /nfs/dbraw/zinc/08/44/86/570084486.db2.gz WDKHSDWHPKWUHH-JZVSFUAJSA-N 0 0 470.934 2.776 40 0 JFABRN COc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1OC ZINC000408973781 570089243 /nfs/dbraw/zinc/08/92/43/570089243.db2.gz VBIKXPBXASFMBE-UHFFFAOYSA-N 0 0 467.566 2.913 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408979361 570090495 /nfs/dbraw/zinc/09/04/95/570090495.db2.gz BYJQWPYCBRJHSJ-QGCWPSNUSA-N 0 0 454.529 2.589 40 0 JFABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NC[C@@H]1CCCO1 ZINC000408988862 570093264 /nfs/dbraw/zinc/09/32/64/570093264.db2.gz RVEFQBAQLZBSQF-IBGZPJMESA-N 0 0 481.412 2.978 40 0 JFABRN NC(=O)C1CCN(C(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000409004845 570097628 /nfs/dbraw/zinc/09/76/28/570097628.db2.gz FLWYNPRAXFGOCZ-UHFFFAOYSA-N 0 0 484.405 2.908 40 0 JFABRN Cc1cccc2cc(CN(CCCO)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c12 ZINC000253500362 570101502 /nfs/dbraw/zinc/10/15/02/570101502.db2.gz HCDYZFDGSMYCGW-IFMALSPDSA-N 0 0 454.575 2.996 40 0 JFABRN CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OCC ZINC000409018273 570102107 /nfs/dbraw/zinc/10/21/07/570102107.db2.gz SVNGBIZKSZKJDP-XDHOZWIPSA-N 0 0 481.505 2.867 40 0 JFABRN NC(=O)C1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000409026984 570104652 /nfs/dbraw/zinc/10/46/52/570104652.db2.gz MUOMXJMRVFPWHW-UHFFFAOYSA-N 0 0 470.378 2.913 40 0 JFABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1O ZINC000409033457 570106136 /nfs/dbraw/zinc/10/61/36/570106136.db2.gz LJIRDBVDOPYZIR-FBHQFGEZSA-N 0 0 464.543 2.903 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(OC)ccc3OC)sc2=N1 ZINC000409033308 570106165 /nfs/dbraw/zinc/10/61/65/570106165.db2.gz LGIXSRNRXJLBBP-FGGAIWKESA-N 0 0 464.543 2.816 40 0 JFABRN CCOc1cc(/C=c2\sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000256055330 570106854 /nfs/dbraw/zinc/10/68/54/570106854.db2.gz BYLCDIQDZPSVDN-ZDLGFXPLSA-N 0 0 456.911 2.768 40 0 JFABRN O=C(COc1ccc(Cl)cc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O)Nc1nccs1 ZINC000256055510 570106915 /nfs/dbraw/zinc/10/69/15/570106915.db2.gz JIYBKQVDNMQCKN-YBEGLDIGSA-N 0 0 496.961 2.888 40 0 JFABRN CCOc1cc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)ccc1OCC(=O)N1CCCCC1 ZINC000256055362 570106927 /nfs/dbraw/zinc/10/69/27/570106927.db2.gz DFNJIEFHKLAILF-QNGOZBTKSA-N 0 0 491.573 2.551 40 0 JFABRN Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=c1\sc2ncnn2c1=O ZINC000256055489 570106938 /nfs/dbraw/zinc/10/69/38/570106938.db2.gz IKXBXSMEUQXOJP-MFOYZWKCSA-N 0 0 471.336 2.787 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(OC)c(O)c(OC)c3)sc2=N1 ZINC000409039909 570107185 /nfs/dbraw/zinc/10/71/85/570107185.db2.gz XOLQXOAONYCFAB-CNSVBDKNSA-N 0 0 480.542 2.521 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cccc(OC)c3O)sc2=N1 ZINC000409042570 570107925 /nfs/dbraw/zinc/10/79/25/570107925.db2.gz YJZVYACWZGVLMR-ITICKHJUSA-N 0 0 450.516 2.513 40 0 JFABRN COc1ccc(C)c(NC(=O)CN2CC[C@@]3(NC(C)=O)CN(C(C)=O)[C@H](c4ccccc4)[C@H]3C2)c1 ZINC000257203715 570108899 /nfs/dbraw/zinc/10/88/99/570108899.db2.gz ARIKFTXGGUGPBQ-XSBVVTFOSA-N 0 0 478.593 2.742 40 0 JFABRN COc1ccccc1[C@@H]1CN(C(=O)C(C)(C)NC(=O)Cc2ccc(F)cc2)CCN1C(C)=O ZINC000257205863 570109543 /nfs/dbraw/zinc/10/95/43/570109543.db2.gz BAWVTTUUAWFWEX-NRFANRHFSA-N 0 0 455.530 2.704 40 0 JFABRN CNc1cc([C@]2(C)CCCN(C(=O)c3ccccc3OCCN3CCOCC3)C2)nc(C)n1 ZINC000257206445 570109881 /nfs/dbraw/zinc/10/98/81/570109881.db2.gz BDLQWNCMUWJORV-RUZDIDTESA-N 0 0 453.587 2.732 40 0 JFABRN O=C(C[C@H]1CN(C(=O)CN2CCCCCC2=O)CC[C@@H]1Oc1ccc(Cl)cc1)N1CCOCC1 ZINC000257209835 570110958 /nfs/dbraw/zinc/11/09/58/570110958.db2.gz BSBXEXLIBCIJSM-UGKGYDQZSA-N 0 0 492.016 2.587 40 0 JFABRN CCc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](c3ccccc3)N(C(C)=O)C[C@]2(NC(C)=O)C1 ZINC000257210485 570111231 /nfs/dbraw/zinc/11/12/31/570111231.db2.gz BUVPHXSVCLXQRI-XSBVVTFOSA-N 0 0 462.594 2.988 40 0 JFABRN O=C(c1ccnc(N2CCOCC2)c1)N1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCCC(=O)N2 ZINC000257212412 570111792 /nfs/dbraw/zinc/11/17/92/570111792.db2.gz CDHJABKNEGBTPI-SQJMNOBHSA-N 0 0 452.530 2.726 40 0 JFABRN Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1C ZINC000409057643 570112538 /nfs/dbraw/zinc/11/25/38/570112538.db2.gz KMQFBAFOSCMDET-UHFFFAOYSA-N 0 0 457.531 2.997 40 0 JFABRN CC(C)(NC(=O)Cc1ccc(F)cc1)C(=O)N1CCOC[C@@H](Cc2ccc3cc[nH]c3n2)C1 ZINC000257216117 570112852 /nfs/dbraw/zinc/11/28/52/570112852.db2.gz CTECJRDRQNCUFW-SFHVURJKSA-N 0 0 452.530 2.857 40 0 JFABRN O=C(COc1ccc(F)cc1)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257216308 570113107 /nfs/dbraw/zinc/11/31/07/570113107.db2.gz CTXRMXAQVPPNKJ-CVDCTZTESA-N 0 0 456.514 2.750 40 0 JFABRN Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1C ZINC000409061398 570114505 /nfs/dbraw/zinc/11/45/05/570114505.db2.gz WXCYHHGSZBMHFV-UHFFFAOYSA-N 0 0 453.568 2.536 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N3CCOCC3)C2)cc1 ZINC000257221563 570114585 /nfs/dbraw/zinc/11/45/85/570114585.db2.gz DPPFMMOXNOSXQA-VWLOTQADSA-N 0 0 488.606 2.794 40 0 JFABRN CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CCCCCNC(=O)c1cccnc1 ZINC000257221740 570114631 /nfs/dbraw/zinc/11/46/31/570114631.db2.gz DQHZQMJGYORWMY-MHZLTWQESA-N 0 0 490.608 2.805 40 0 JFABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)CCCN1C(=O)CCC1=O ZINC000257227685 570116435 /nfs/dbraw/zinc/11/64/35/570116435.db2.gz FQLHYLHYSSDJKV-ZLNRFVROSA-N 0 0 453.583 2.919 40 0 JFABRN COc1ccc(C2(C(=O)N3CC[C@@]4(C3)CN(c3ccc(F)cc3)C(=O)CO4)CCOCC2)cc1 ZINC000257231173 570117370 /nfs/dbraw/zinc/11/73/70/570117370.db2.gz GFQCDEIATGKUMZ-RUZDIDTESA-N 0 0 468.525 2.917 40 0 JFABRN Cc1cc(N(C)C)nc([C@]2(C)CCCN(C(=O)C(C)(C)NC(=O)COc3ccccc3)C2)n1 ZINC000257234818 570118408 /nfs/dbraw/zinc/11/84/08/570118408.db2.gz GVFRMQJNMILJGQ-RUZDIDTESA-N 0 0 453.587 2.705 40 0 JFABRN COc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)cc1F ZINC000257235143 570118559 /nfs/dbraw/zinc/11/85/59/570118559.db2.gz GWPWYDLBRHZHHI-UGKGYDQZSA-N 0 0 456.514 2.993 40 0 JFABRN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)CN3CCOCC3)c2)n1 ZINC000257235169 570118755 /nfs/dbraw/zinc/11/87/55/570118755.db2.gz GWTATVMDUVCNAM-QHCPKHFHSA-N 0 0 474.565 2.824 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@@H]3CCN(C(=O)C4CCCC4)C3)n2)n[nH]1 ZINC000257236948 570119214 /nfs/dbraw/zinc/11/92/14/570119214.db2.gz HEMZIIONDJOMGS-SFHVURJKSA-N 0 0 452.607 2.585 40 0 JFABRN CC(C)(C)c1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)[nH]n1 ZINC000257238417 570119624 /nfs/dbraw/zinc/11/96/24/570119624.db2.gz HKXOCLCYOBXZEX-RXVVDRJESA-N 0 0 454.571 2.866 40 0 JFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)Cn3cccnc3=O)C2)n1 ZINC000257238460 570119741 /nfs/dbraw/zinc/11/97/41/570119741.db2.gz HLBQMFFZJAMPAK-KRWDZBQOSA-N 0 0 452.946 2.826 40 0 JFABRN O=C([O-])CCC(=O)N[C@@H]1C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257244901 570121456 /nfs/dbraw/zinc/12/14/56/570121456.db2.gz INHMZTPFTHZOTL-CHOVIJNXSA-N 0 0 492.494 2.994 40 0 JFABRN CCc1nc(C)c(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)[nH]1 ZINC000257245164 570121653 /nfs/dbraw/zinc/12/16/53/570121653.db2.gz IOHYNHJBGUHHPC-RUZDIDTESA-N 0 0 490.048 2.748 40 0 JFABRN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)NCCCO ZINC000409081507 570121850 /nfs/dbraw/zinc/12/18/50/570121850.db2.gz PTAHLJBTYYHSHC-UHFFFAOYSA-N 0 0 475.792 2.792 40 0 JFABRN CNC(=O)c1cc(C2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)ncn1 ZINC000257254540 570124505 /nfs/dbraw/zinc/12/45/05/570124505.db2.gz KDOLGAWKOHOIIL-HXUWFJFHSA-N 0 0 453.543 2.808 40 0 JFABRN Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCCN2C(=O)CCN2C(=O)COCC2=O)n1 ZINC000257255374 570124814 /nfs/dbraw/zinc/12/48/14/570124814.db2.gz KHEKFHRMYNXAMI-QGZVFWFLSA-N 0 0 491.470 2.574 40 0 JFABRN C[C@]1(O)CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC[C@@H]1Oc1ccccc1 ZINC000257255899 570124920 /nfs/dbraw/zinc/12/49/20/570124920.db2.gz KJIXEXOIFXCWHX-ZCYQVOJMSA-N 0 0 487.622 2.704 40 0 JFABRN CC(=O)N[C@]12CN(S(=O)(=O)Cc3cccc(Cl)c3)[C@H](c3ccccc3)[C@H]1CN(C(C)=O)CC2 ZINC000257260028 570126300 /nfs/dbraw/zinc/12/63/00/570126300.db2.gz LBBGYUWEIZSIHF-WXFUMESZSA-N 0 0 490.025 2.970 40 0 JFABRN COc1ccc(NC(C)=O)cc1CNC(=O)C[N@H+]1C[C@@H]2[C@@H](Cc3ccnc(C)n3)CC[C@@H]2C1 ZINC000257260428 570126604 /nfs/dbraw/zinc/12/66/04/570126604.db2.gz LCUJUSSKDKLUMT-DNVFCKCGSA-N 0 0 451.571 2.569 40 0 JFABRN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N([C@@H](C)C(=O)OC)C1=O ZINC000409096910 570126994 /nfs/dbraw/zinc/12/69/94/570126994.db2.gz LLTAELGIJYTDKP-PBJWJZLWSA-N 0 0 458.286 2.599 40 0 JFABRN COc1cccc(S(=O)(=O)N2CCC(COc3ccccc3)(CC(=O)N3CCOCC3)CC2)c1 ZINC000257264222 570127659 /nfs/dbraw/zinc/12/76/59/570127659.db2.gz LTKZMBIEFLRGHX-UHFFFAOYSA-N 0 0 488.606 2.794 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409100167 570128180 /nfs/dbraw/zinc/12/81/80/570128180.db2.gz QIGMSKCDMJFWGN-CURYZJDOSA-N 0 0 451.548 2.705 40 0 JFABRN CC(=O)N[C@]12CN(C(=O)C(C)(C)NC(=O)c3ccccc3)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2 ZINC000257274030 570130774 /nfs/dbraw/zinc/13/07/74/570130774.db2.gz NJGCBCJCFIAOFS-AZSVPQILSA-N 0 0 462.594 2.605 40 0 JFABRN COCCn1cnc2cc(C(=O)N(C)C[C@]3(O)CCN(c4cc(C)nc5ccncc54)C3)ccc21 ZINC000257274151 570130892 /nfs/dbraw/zinc/13/08/92/570130892.db2.gz NJTSLKBBMPQEDM-AREMUKBSSA-N 0 0 474.565 2.648 40 0 JFABRN Cc1noc(C)c1CCC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257274462 570131008 /nfs/dbraw/zinc/13/10/08/570131008.db2.gz NLDQYOMVBZLHDI-RDPSFJRHSA-N 0 0 486.588 2.823 40 0 JFABRN Cc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)CN3CC[NH+](C(C)C)CC3)n2)nc1 ZINC000257277954 570132004 /nfs/dbraw/zinc/13/20/04/570132004.db2.gz OADJLHYICQJLSG-JOCHJYFZSA-N 0 0 450.587 2.727 40 0 JFABRN CN1CCN(C(=O)C[C@H]2CN(C(=O)COc3ccccc3F)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257280064 570132734 /nfs/dbraw/zinc/13/27/34/570132734.db2.gz OJHGQSOHFNNLSK-CVDCTZTESA-N 0 0 487.547 2.804 40 0 JFABRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)c(C)c1 ZINC000409124495 570137250 /nfs/dbraw/zinc/13/72/50/570137250.db2.gz HZBGZKMITOLWFQ-XDHOZWIPSA-N 0 0 470.503 2.937 40 0 JFABRN O=C(CN1CC(=O)Nc2ccccc21)N1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000257296579 570137519 /nfs/dbraw/zinc/13/75/19/570137519.db2.gz RDKOWFDGWIVBFN-AVRWGWEMSA-N 0 0 450.514 2.639 40 0 JFABRN CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3ccc(F)cn3)CCO2)CC1 ZINC000257297867 570137746 /nfs/dbraw/zinc/13/77/46/570137746.db2.gz RJCMOBUGDGODGQ-XMMPIXPASA-N 0 0 476.980 2.688 40 0 JFABRN COc1cccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)c2ccnc(N3CCOCC3)c2)c1 ZINC000257300300 570138511 /nfs/dbraw/zinc/13/85/11/570138511.db2.gz RTUACWINDPSLCS-OAQYLSRUSA-N 0 0 460.538 2.943 40 0 JFABRN CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)c3cccc(N4CCCCS4(=O)=O)c3)C2)n1 ZINC000257305665 570139984 /nfs/dbraw/zinc/13/99/84/570139984.db2.gz SQYGSNBTUOXBMY-QHCPKHFHSA-N 0 0 457.600 2.951 40 0 JFABRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1 ZINC000257310135 570141456 /nfs/dbraw/zinc/14/14/56/570141456.db2.gz UDUQSHXRIXVRQU-LUKWVAJMSA-N 0 0 454.571 2.678 40 0 JFABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)c2ccc(=O)n(CC(N)=O)c2)n1 ZINC000257312418 570142226 /nfs/dbraw/zinc/14/22/26/570142226.db2.gz UNWATPXJQMZOOX-HXUWFJFHSA-N 0 0 494.983 2.877 40 0 JFABRN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CN(CC(=O)Nc1cccc(F)c1)CC2 ZINC000257313716 570142605 /nfs/dbraw/zinc/14/26/05/570142605.db2.gz UTUJINMBBRKRPE-QLBJFCOMSA-N 0 0 452.530 2.564 40 0 JFABRN O=C(COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000409136820 570142644 /nfs/dbraw/zinc/14/26/44/570142644.db2.gz VTMUMFBOZWXDQF-DEDYPNTBSA-N 0 0 499.520 2.738 40 0 JFABRN O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21)NC1CCCC1 ZINC000409137165 570142773 /nfs/dbraw/zinc/14/27/73/570142773.db2.gz UGMUFMYWPRDZQS-BKUYFWCQSA-N 0 0 496.589 2.595 40 0 JFABRN Cc1ccnn1CCC(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257317874 570143847 /nfs/dbraw/zinc/14/38/47/570143847.db2.gz VLNZGJIYRRACGO-VWLOTQADSA-N 0 0 472.561 2.657 40 0 JFABRN CCOCCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000409141629 570144888 /nfs/dbraw/zinc/14/48/88/570144888.db2.gz JIMBUGYYDDGPEB-UHFFFAOYSA-N 0 0 450.557 2.750 40 0 JFABRN O=C(C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1 ZINC000257332634 570148438 /nfs/dbraw/zinc/14/84/38/570148438.db2.gz XYBUPSHTVVQNIJ-DEOSSOPVSA-N 0 0 476.570 2.925 40 0 JFABRN CCN1C[C@@H](c2cc(NCCCO)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O ZINC000257333643 570148583 /nfs/dbraw/zinc/14/85/83/570148583.db2.gz YCLISNLDZOUDPX-AWEZNQCLSA-N 0 0 456.934 2.765 40 0 JFABRN O=C(c1cccc(OCCN2CCCC2=O)c1)N1CCOC[C@H](Cc2cccn3nccc23)C1 ZINC000257333752 570148692 /nfs/dbraw/zinc/14/86/92/570148692.db2.gz YCXMZIIVUYUZIM-HXUWFJFHSA-N 0 0 462.550 2.667 40 0 JFABRN CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNS(=O)(=O)c4cn(C(F)F)nc4C)OCC[C@@]31C2 ZINC000257333651 570148734 /nfs/dbraw/zinc/14/87/34/570148734.db2.gz YCLXPBDDFDQYIA-YEXGDUPYSA-N 0 0 474.574 2.601 40 0 JFABRN O=C(CN1C[C@H](O)[C@@H](N2CCN(c3ccccc3)CC2)C1)NC(c1ccccc1)c1ccccc1 ZINC000257336321 570149428 /nfs/dbraw/zinc/14/94/28/570149428.db2.gz YNXLCZYSHHIIGZ-SVBPBHIXSA-N 0 0 470.617 2.760 40 0 JFABRN Cc1nccn1CC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 ZINC000257338504 570150014 /nfs/dbraw/zinc/15/00/14/570150014.db2.gz YXSVVBQYXKVVLH-XMMPIXPASA-N 0 0 474.989 2.782 40 0 JFABRN COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cccc(F)c3C)n2C)cc1 ZINC000409158164 570151189 /nfs/dbraw/zinc/15/11/89/570151189.db2.gz KKKWWMBRKWPTQK-UHFFFAOYSA-N 0 0 457.531 2.861 40 0 JFABRN CC(=O)OC[C@]12CC[C@H](OC(C)=O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@]12O ZINC000257349706 570152921 /nfs/dbraw/zinc/15/29/21/570152921.db2.gz QMLGTZOEQLNEEK-OALKITGFSA-N 0 0 450.572 2.939 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)c1 ZINC000409165106 570153030 /nfs/dbraw/zinc/15/30/30/570153030.db2.gz SNCNFPUCBNYYJD-UHFFFAOYSA-N 0 0 467.551 2.961 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260704244 570154708 /nfs/dbraw/zinc/15/47/08/570154708.db2.gz AGEWWAOQUDAQNP-LJQANCHMSA-N 0 0 475.611 2.793 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260727157 570155389 /nfs/dbraw/zinc/15/53/89/570155389.db2.gz IKXCHPTWBZJULP-GOSISDBHSA-N 0 0 493.601 2.932 40 0 JFABRN CN(CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1)S(C)(=O)=O ZINC000260725450 570155429 /nfs/dbraw/zinc/15/54/29/570155429.db2.gz WMBPATICMJSPHJ-VWLOTQADSA-N 0 0 479.602 2.964 40 0 JFABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000260747009 570156340 /nfs/dbraw/zinc/15/63/40/570156340.db2.gz ZGRKUFQHXNBCPL-SFTDATJTSA-N 0 0 482.624 2.911 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC)S(C)(=O)=O ZINC000260749128 570156381 /nfs/dbraw/zinc/15/63/81/570156381.db2.gz CJFIAPDLOYRQMX-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3cc(OC)ccc3OC)C2)cc1 ZINC000260764555 570157233 /nfs/dbraw/zinc/15/72/33/570157233.db2.gz JYDWTMVTFPACQL-SJORKVTESA-N 0 0 462.568 2.991 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000260767712 570157439 /nfs/dbraw/zinc/15/74/39/570157439.db2.gz ONZGULUDODJQLB-KNQAVFIVSA-N 0 0 489.594 2.787 40 0 JFABRN COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000260776238 570157860 /nfs/dbraw/zinc/15/78/60/570157860.db2.gz JREZQUPDUWPFNJ-LJQANCHMSA-N 0 0 489.638 2.836 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260779780 570157914 /nfs/dbraw/zinc/15/79/14/570157914.db2.gz ZZCOBWIIDQTIFL-HXUWFJFHSA-N 0 0 459.612 2.866 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c2ccccc2O1 ZINC000260833397 570159683 /nfs/dbraw/zinc/15/96/83/570159683.db2.gz WEWZHXIJWJHLOC-GHTZIAJQSA-N 0 0 472.563 2.671 40 0 JFABRN COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000260834660 570159708 /nfs/dbraw/zinc/15/97/08/570159708.db2.gz NRFMKHOPCZWRSV-CABCVRRESA-N 0 0 464.540 2.507 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](CC)C(=O)NC)S(C)(=O)=O ZINC000260855965 570161022 /nfs/dbraw/zinc/16/10/22/570161022.db2.gz HLGFGEBRPAQJHB-OAQYLSRUSA-N 0 0 459.612 2.877 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260863428 570161110 /nfs/dbraw/zinc/16/11/10/570161110.db2.gz BXQJXZOBAUHWSC-HXUWFJFHSA-N 0 0 459.612 2.951 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260860658 570161117 /nfs/dbraw/zinc/16/11/17/570161117.db2.gz PNLXSXJUWWRSFA-JOCHJYFZSA-N 0 0 459.612 2.877 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260860767 570161129 /nfs/dbraw/zinc/16/11/29/570161129.db2.gz SSAALWGJBUNOMQ-JOCHJYFZSA-N 0 0 475.611 2.577 40 0 JFABRN CCOc1ccc(N(CCCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260863124 570161148 /nfs/dbraw/zinc/16/11/48/570161148.db2.gz WCNVQCBEDGIRRJ-HXUWFJFHSA-N 0 0 489.638 2.837 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC)S(C)(=O)=O ZINC000260863251 570161159 /nfs/dbraw/zinc/16/11/59/570161159.db2.gz YKYMCXPJGAKEJE-MRXNPFEDSA-N 0 0 466.003 2.832 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260863162 570161169 /nfs/dbraw/zinc/16/11/69/570161169.db2.gz WOLZVSMTICUSGD-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000260885983 570161529 /nfs/dbraw/zinc/16/15/29/570161529.db2.gz BVRHVTYDAOQQJJ-HXUWFJFHSA-N 0 0 459.612 2.607 40 0 JFABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC[C@H]3COc4ccccc4O3)Oc3ccccc32)cc1 ZINC000260888503 570161708 /nfs/dbraw/zinc/16/17/08/570161708.db2.gz BAMMIWQOORMMBZ-UUOWRZLLSA-N 0 0 480.542 2.908 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000260890139 570161805 /nfs/dbraw/zinc/16/18/05/570161805.db2.gz CVIHGMIEHOKBBM-GOSISDBHSA-N 0 0 487.622 2.987 40 0 JFABRN CCOc1ccc(N([C@H](CC)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000260890881 570161987 /nfs/dbraw/zinc/16/19/87/570161987.db2.gz UPBGBTRPSQCRQP-XMMPIXPASA-N 0 0 489.638 2.779 40 0 JFABRN COc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260893578 570162217 /nfs/dbraw/zinc/16/22/17/570162217.db2.gz MAPHWKVXQJFJPI-HXUWFJFHSA-N 0 0 489.638 2.814 40 0 JFABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NC[C@H]1COc2ccccc2O1 ZINC000260901732 570162751 /nfs/dbraw/zinc/16/27/51/570162751.db2.gz NFMNBZILYOOHDP-KRWDZBQOSA-N 0 0 456.495 2.977 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000260902490 570162773 /nfs/dbraw/zinc/16/27/73/570162773.db2.gz OXCHBPRBOCUKPN-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000260905628 570163052 /nfs/dbraw/zinc/16/30/52/570163052.db2.gz OZOYNQRHHUQWNX-PMACEKPBSA-N 0 0 459.612 2.948 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000260910369 570163318 /nfs/dbraw/zinc/16/33/18/570163318.db2.gz YEAXUXXQFUGCSQ-GAJHUEQPSA-N 0 0 466.515 2.599 40 0 JFABRN CC(C)Oc1cccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000260917490 570163976 /nfs/dbraw/zinc/16/39/76/570163976.db2.gz DOGWLEPYWIGGFU-MRXNPFEDSA-N 0 0 468.597 2.521 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000261001243 570166680 /nfs/dbraw/zinc/16/66/80/570166680.db2.gz RQUYMWZPVGTQDW-ROUUACIJSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000409204979 570166944 /nfs/dbraw/zinc/16/69/44/570166944.db2.gz DXUKRFKGNXNPBR-UHFFFAOYSA-N 0 0 454.548 2.911 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000261097111 570167243 /nfs/dbraw/zinc/16/72/43/570167243.db2.gz VGXQEEBKRICHHK-MSOLQXFVSA-N 0 0 463.575 2.924 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000261099001 570167273 /nfs/dbraw/zinc/16/72/73/570167273.db2.gz VRKXLLFEMVLFBO-MSOLQXFVSA-N 0 0 493.601 2.932 40 0 JFABRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)c1 ZINC000409210489 570169478 /nfs/dbraw/zinc/16/94/78/570169478.db2.gz KLWGXHALBZZQEO-MFOYZWKCSA-N 0 0 457.533 2.948 40 0 JFABRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1O ZINC000409213321 570171007 /nfs/dbraw/zinc/17/10/07/570171007.db2.gz ULBMLXPZRFSIPR-MKMNVTDBSA-N 0 0 464.247 2.834 40 0 JFABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCC(N)=O ZINC000409214232 570171530 /nfs/dbraw/zinc/17/15/30/570171530.db2.gz WHRVSOJQLSNGLV-ODLFYWEKSA-N 0 0 469.519 2.933 40 0 JFABRN CCCOC(=O)c1cc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)ccc1Cl ZINC000409220072 570174028 /nfs/dbraw/zinc/17/40/28/570174028.db2.gz XVZHOBQMJLZODO-UHFFFAOYSA-N 0 0 467.979 2.598 40 0 JFABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1)c1ccccc1 ZINC000409225853 570175950 /nfs/dbraw/zinc/17/59/50/570175950.db2.gz MGINHIFEZRBGMH-QGZVFWFLSA-N 0 0 487.603 2.945 40 0 JFABRN COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1OC ZINC000409238028 570180597 /nfs/dbraw/zinc/18/05/97/570180597.db2.gz JXSJPCIMYBGODW-YBFXNURJSA-N 0 0 486.502 2.931 40 0 JFABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O ZINC000409244228 570183349 /nfs/dbraw/zinc/18/33/49/570183349.db2.gz ZUQTYOMWNANQNX-UDWIEESQSA-N 0 0 460.490 2.908 40 0 JFABRN COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1OC ZINC000408528892 570186956 /nfs/dbraw/zinc/18/69/56/570186956.db2.gz HKTJOAWBABOLRQ-UHFFFAOYSA-N 0 0 462.568 2.534 40 0 JFABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000409262055 570187747 /nfs/dbraw/zinc/18/77/47/570187747.db2.gz CGTOIGTVJJNAJK-UHFFFAOYSA-N 0 0 468.373 2.994 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 ZINC000409270694 570189136 /nfs/dbraw/zinc/18/91/36/570189136.db2.gz HDUMVPSRLJYJDP-UHFFFAOYSA-N 0 0 468.915 2.626 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000409271179 570189248 /nfs/dbraw/zinc/18/92/48/570189248.db2.gz KFXBKJRJPLDJJL-UHFFFAOYSA-N 0 0 497.573 2.905 40 0 JFABRN Cn1c(CN2CCOCC2)nnc1SCC(=O)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 ZINC000408536912 570190636 /nfs/dbraw/zinc/19/06/36/570190636.db2.gz TZCLNFAPXFSAPS-FUHWJXTLSA-N 0 0 455.609 2.742 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(I)cc2)cc1C ZINC000408550501 570194956 /nfs/dbraw/zinc/19/49/56/570194956.db2.gz CWVQLIZUXCFBDS-GFCCVEGCSA-N 0 0 474.320 2.914 40 0 JFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccncc2)cc1C ZINC000408553523 570195895 /nfs/dbraw/zinc/19/58/95/570195895.db2.gz XCCQFPKTTLEBMS-UHFFFAOYSA-N 0 0 453.564 2.948 40 0 JFABRN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 ZINC000408553757 570196018 /nfs/dbraw/zinc/19/60/18/570196018.db2.gz QKKLCLRDWJXSNI-HNNXBMFYSA-N 0 0 462.524 2.530 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559552 570199896 /nfs/dbraw/zinc/19/98/96/570199896.db2.gz MJXWRDBXUAXRJL-UHFFFAOYSA-N 0 0 465.959 2.877 40 0 JFABRN CCN1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)CC1 ZINC000409318326 570200645 /nfs/dbraw/zinc/20/06/45/570200645.db2.gz UUDQVZORURVNJD-UHFFFAOYSA-N 0 0 496.427 2.817 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000409319203 570200767 /nfs/dbraw/zinc/20/07/67/570200767.db2.gz BXXYSIFEPPLEPB-UHFFFAOYSA-N 0 0 467.613 2.739 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000408561405 570201032 /nfs/dbraw/zinc/20/10/32/570201032.db2.gz SAHPCJPPLBBPEM-GOSISDBHSA-N 0 0 491.585 2.592 40 0 JFABRN C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000408578044 570206261 /nfs/dbraw/zinc/20/62/61/570206261.db2.gz KBLVRFHKNAOXSZ-ZIAGYGMSSA-N 0 0 480.348 2.861 40 0 JFABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408578636 570206331 /nfs/dbraw/zinc/20/63/31/570206331.db2.gz LESVQOKPCHZZDN-FQEVSTJZSA-N 0 0 494.592 2.529 40 0 JFABRN CCOc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)cc1 ZINC000408580558 570206633 /nfs/dbraw/zinc/20/66/33/570206633.db2.gz RGRJCZOQCVWXML-FDDCHVKYSA-N 0 0 481.549 2.751 40 0 JFABRN CCOc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)cc1 ZINC000408580560 570206637 /nfs/dbraw/zinc/20/66/37/570206637.db2.gz RGRJCZOQCVWXML-MBSDFSHPSA-N 0 0 481.549 2.751 40 0 JFABRN O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408582308 570206941 /nfs/dbraw/zinc/20/69/41/570206941.db2.gz WJTBIHFCZIQTAN-GOSISDBHSA-N 0 0 484.984 2.784 40 0 JFABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc(C(=O)OC)c1 ZINC000408584546 570207630 /nfs/dbraw/zinc/20/76/30/570207630.db2.gz RCOXNTWAKHTLJB-UHFFFAOYSA-N 0 0 463.512 2.838 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408584934 570207803 /nfs/dbraw/zinc/20/78/03/570207803.db2.gz WTTXTASRTWEZQQ-HNNXBMFYSA-N 0 0 464.540 2.966 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1Cl ZINC000408584973 570207820 /nfs/dbraw/zinc/20/78/20/570207820.db2.gz XHECRLNLPAPUBJ-UHFFFAOYSA-N 0 0 465.959 2.877 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408587129 570208263 /nfs/dbraw/zinc/20/82/63/570208263.db2.gz QQRFEYNNGQAZEB-UHFFFAOYSA-N 0 0 483.546 2.945 40 0 JFABRN O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408587773 570208398 /nfs/dbraw/zinc/20/83/98/570208398.db2.gz CEHFKMNRZUPJIA-BVRWQAIYSA-N 0 0 453.608 2.945 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1Cl ZINC000408592694 570209518 /nfs/dbraw/zinc/20/95/18/570209518.db2.gz LJGBDZYCOPBCBL-KRWDZBQOSA-N 0 0 466.003 2.981 40 0 JFABRN CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O ZINC000084616331 290688102 /nfs/dbraw/zinc/68/81/02/290688102.db2.gz VWLXIXALPNYWFH-UXGQNDOZSA-N 0 0 490.637 2.984 40 0 biogenic,in-vitro JFABRN CC1(C)C[C@H](NC(=O)c2ccco2)[C@@]2(CCC(=O)NCCN3CCOCC3)CC[C@](C)(O)C[C@@H]12 ZINC000012531509 291481770 /nfs/dbraw/zinc/48/17/70/291481770.db2.gz XILFXXXBDSLCQJ-KCXKOMAXSA-N 0 0 475.630 2.574 40 0 biogenic,in-vitro JFABRN CC1=C[C@@H](CNS(=O)(=O)c2cccs2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN1CCOCC1 ZINC000030879954 291482791 /nfs/dbraw/zinc/48/27/91/291482791.db2.gz PDRKGFRINQUTBS-ACRUOGEOSA-N 0 0 483.700 2.720 40 0 biogenic,in-vitro JFABRN COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccc4c(c3)OCO4)[C@H](O)[C@H]2[C@@H]1C ZINC000030883800 291485424 /nfs/dbraw/zinc/48/54/24/291485424.db2.gz QMWHKZMENWVURC-HKKWMNNHSA-N 0 0 474.598 2.622 40 0 biogenic,in-vitro JFABRN COc1c2c(c(C)c3c1C[C@@H]1[C@@](C)(C[C@]4(O)OC[C@@]5(C)O[C@@]6(OC)CC[C@@]1(C)[C@]54O6)O3)COC2=O ZINC000036378991 291486244 /nfs/dbraw/zinc/48/62/44/291486244.db2.gz UEVWVMGTABEFID-RKVKILNFSA-N 0 0 488.533 2.751 40 0 biogenic,in-vitro JFABRN CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000000891141 193951337 /nfs/dbraw/zinc/95/13/37/193951337.db2.gz ZEIIYCXKWBRMHA-UHFFFAOYSA-N 0 0 455.536 2.889 40 0 JFABRN Cc1ccc(Cn2c(SCc3cc(=O)[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000930502 193982416 /nfs/dbraw/zinc/98/24/16/193982416.db2.gz VRHQFHVJULAVRG-UHFFFAOYSA-N 0 0 473.558 2.924 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1C ZINC000001078080 194019030 /nfs/dbraw/zinc/01/90/30/194019030.db2.gz GPTHDEHMEUQJCF-UHFFFAOYSA-N 0 0 475.586 2.892 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccccc1F)OCCO3 ZINC000001222163 194074411 /nfs/dbraw/zinc/07/44/11/194074411.db2.gz RMJPYCYUFRNRLF-KRWDZBQOSA-N 0 0 474.510 2.808 40 0 JFABRN CC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)cc1 ZINC000001222966 194074963 /nfs/dbraw/zinc/07/49/63/194074963.db2.gz XBUOUBBNTSFMJW-UHFFFAOYSA-N 0 0 495.536 2.555 40 0 JFABRN COc1cc(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2ccco2)ccc1-n1cnnn1 ZINC000001325458 194086563 /nfs/dbraw/zinc/08/65/63/194086563.db2.gz SZCDBPLKVJFDRJ-UHFFFAOYSA-N 0 0 457.487 2.837 40 0 JFABRN O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000001325598 194086712 /nfs/dbraw/zinc/08/67/12/194086712.db2.gz PLCVVVCYNBVAID-UHFFFAOYSA-N 0 0 452.554 2.505 40 0 JFABRN COc1ccc2cc(CN(C[C@@H]3COCCO3)S(=O)(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000001335389 194094106 /nfs/dbraw/zinc/09/41/06/194094106.db2.gz VYVSBYCLGZHFLI-LJQANCHMSA-N 0 0 478.954 2.796 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1C ZINC000001347653 194099404 /nfs/dbraw/zinc/09/94/04/194099404.db2.gz HGBDJLNTCHFBJA-UHFFFAOYSA-N 0 0 466.625 2.996 40 0 JFABRN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001347176 194099419 /nfs/dbraw/zinc/09/94/19/194099419.db2.gz SJMPOXDIFZDEOD-SFHVURJKSA-N 0 0 454.556 2.573 40 0 JFABRN COc1cccc(CC(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)C2)c1 ZINC000001334152 194093125 /nfs/dbraw/zinc/09/31/25/194093125.db2.gz VCUHLQLFCKJNAY-FQEVSTJZSA-N 0 0 472.549 2.829 40 0 JFABRN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001365372 194103787 /nfs/dbraw/zinc/10/37/87/194103787.db2.gz TWLMGGVJSJAAIN-SFHVURJKSA-N 0 0 462.535 2.855 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCC1)C[C@H]1CCCO1)OCCO3 ZINC000001373764 194107673 /nfs/dbraw/zinc/10/76/73/194107673.db2.gz AFBOCINYSNOPJH-LJQANCHMSA-N 0 0 466.542 2.582 40 0 JFABRN Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(CCC(C)C)[C@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@]2(C)O4)no1 ZINC000001380917 194113061 /nfs/dbraw/zinc/11/30/61/194113061.db2.gz KTRDUBAGADPKCC-JIKAXIMKSA-N 0 0 492.576 2.825 40 0 JFABRN Cc1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001467725 194125018 /nfs/dbraw/zinc/12/50/18/194125018.db2.gz RZEYDRHSMYEYJG-LJQANCHMSA-N 0 0 474.970 2.930 40 0 JFABRN COc1ccc(OC)c(N(CCN2C(=O)c3ccccc3C2=O)C(=O)[C@H]2CCC(=O)[C@H]2C)c1 ZINC000001753238 194134467 /nfs/dbraw/zinc/13/44/67/194134467.db2.gz HMKVEALMQQSOHB-RDJZCZTQSA-N 0 0 450.491 2.948 40 0 JFABRN COc1ccc(OC)c(N(CCN2C(=O)c3ccccc3C2=O)C(=O)[C@@H]2CCC(=O)[C@@H]2C)c1 ZINC000001753241 194134793 /nfs/dbraw/zinc/13/47/93/194134793.db2.gz HMKVEALMQQSOHB-NVXWUHKLSA-N 0 0 450.491 2.948 40 0 JFABRN CCCn1c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2c2ccccc2c1=O ZINC000003375268 194307318 /nfs/dbraw/zinc/30/73/18/194307318.db2.gz FOMYXYRWERWVSS-UHFFFAOYSA-N 0 0 451.508 2.956 40 0 JFABRN COc1ccc(Cl)cc1-c1ccc2c(c1)C(=O)N1CC[C@H](NC(=O)c3cnccn3)[C@H]1C(=O)N2 ZINC000003839521 194362754 /nfs/dbraw/zinc/36/27/54/194362754.db2.gz QUNGSDXQGLWLLX-RXVVDRJESA-N 0 0 477.908 2.771 40 0 biogenic,in-vitro JFABRN C1CC[C@@H]2OCCOCCOCCO[C@@H]3CCCC[C@@H]3OCCOCCOCCO[C@@H]2C1 ZINC000003861617 194364979 /nfs/dbraw/zinc/36/49/79/194364979.db2.gz QMLGNDFKJAFKGZ-NVPYSNMXSA-N 0 0 460.608 2.755 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000003667269 194357169 /nfs/dbraw/zinc/35/71/69/194357169.db2.gz CKWSLPZSVZOLTK-BYHQVZLYSA-N 0 0 498.944 2.886 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1cc(OC)ccc1OC ZINC000004400311 194389156 /nfs/dbraw/zinc/38/91/56/194389156.db2.gz IFYDGNLBHWWENH-RUZDIDTESA-N 0 0 495.580 2.724 40 0 JFABRN CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1cc(Br)ccc1OC ZINC000004197368 194384072 /nfs/dbraw/zinc/38/40/72/194384072.db2.gz UEFCRCRJRYXOGX-LJCCNALRSA-N 0 0 457.317 2.624 40 0 JFABRN C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(=O)NC3CC3)c3nc(NC(=O)C4CCC4)sc3C[C@H]12 ZINC000004222451 194385188 /nfs/dbraw/zinc/38/51/88/194385188.db2.gz SEULASGOLWXYPL-FJPMOXAOSA-N 0 0 461.628 2.966 40 0 biogenic,in-vitro JFABRN COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](n4nnnc4Sc4ccccc4)CO[C@H]23)cc1 ZINC000004259299 194386401 /nfs/dbraw/zinc/38/64/01/194386401.db2.gz BLTRHEOMSCMDKP-WJFTUGDTSA-N 0 0 455.496 2.789 40 0 biogenic,in-vitro JFABRN COc1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](n4nnnc4Sc4ccccc4)CO[C@H]23)c1 ZINC000004259294 194386472 /nfs/dbraw/zinc/38/64/72/194386472.db2.gz ABHDYTMVEREIHP-WJFTUGDTSA-N 0 0 455.496 2.789 40 0 biogenic,in-vitro JFABRN O=C(NCCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000004410005 194389330 /nfs/dbraw/zinc/38/93/30/194389330.db2.gz MLUWJMLTSCGIBS-UHFFFAOYSA-N 0 0 450.944 2.828 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1cccc(OC)c1OC ZINC000004354911 194388353 /nfs/dbraw/zinc/38/83/53/194388353.db2.gz TUALTBBNKOKQIN-XMMPIXPASA-N 0 0 495.580 2.724 40 0 JFABRN CC(C)[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1 ZINC000004375506 194388536 /nfs/dbraw/zinc/38/85/36/194388536.db2.gz YPQIHAPSKLWLTQ-QFIPXVFZSA-N 0 0 461.584 2.670 40 0 JFABRN CC[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006631863 194434015 /nfs/dbraw/zinc/43/40/15/194434015.db2.gz FKTLWBQJCCISLG-SFHVURJKSA-N 0 0 481.578 2.570 40 0 JFABRN CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)cc2)CC1 ZINC000008898146 194490525 /nfs/dbraw/zinc/49/05/25/194490525.db2.gz WAZNEDMQEBVGQA-NYYWCZLTSA-N 0 0 479.027 2.948 40 0 JFABRN O=C(CCc1nnc2n1c1ccccc1c(=O)n2CCc1ccccc1)NCc1ccccn1 ZINC000009831339 194981545 /nfs/dbraw/zinc/98/15/45/194981545.db2.gz FYWPQTGSAIQDIW-UHFFFAOYSA-N 0 0 452.518 2.931 40 0 JFABRN O=C(NC1CCCCC1)C(=O)N(C[C@@H]1CCCO1)[C@@H](C(=O)NCc1ccco1)c1ccco1 ZINC000012641357 195071000 /nfs/dbraw/zinc/07/10/00/195071000.db2.gz YORKSPJQSWYEEG-PZJWPPBQSA-N 0 0 457.527 2.687 40 0 JFABRN C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N(C[C@@H]1CCCO1)[C@@H]3C(=O)NC1CCCCC1)[C@@H]2C(=O)Nc1ccccc1 ZINC000012642264 195071761 /nfs/dbraw/zinc/07/17/61/195071761.db2.gz IQXXIQQEQWOUFK-QJSPESIESA-N 0 0 493.604 2.794 40 0 JFABRN CC(C)(C)NC(=O)[C@H]1N(c2ccccc2)C(=O)[C@H]2[C@@H](C(=O)NCc3cccs3)[C@H]3C=C[C@@]12O3 ZINC000012642689 195072172 /nfs/dbraw/zinc/07/21/72/195072172.db2.gz WBERAOVVTLXGMQ-DFMTZNLUSA-N 0 0 465.575 2.634 40 0 JFABRN CCOc1ccc(C(=O)NC2CCN(Cc3nnnn3Cc3ccc(OC)cc3)CC2)cc1 ZINC000012644745 195073513 /nfs/dbraw/zinc/07/35/13/195073513.db2.gz XTOIHMJZQJXXGO-UHFFFAOYSA-N 0 0 450.543 2.523 40 0 JFABRN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(CC(=O)NC2CCCC2)Cc2ccc(F)cc2)cc1 ZINC000012644969 195073706 /nfs/dbraw/zinc/07/37/06/195073706.db2.gz OBQBTHLLALVLRV-GOSISDBHSA-N 0 0 475.586 2.889 40 0 JFABRN O=C(CSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1)NC1CC1 ZINC000012645469 195073879 /nfs/dbraw/zinc/07/38/79/195073879.db2.gz KMGSYNFPUDXHHK-UHFFFAOYSA-N 0 0 450.567 2.647 40 0 JFABRN COc1cc([C@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)ccc1O ZINC000012661320 195080988 /nfs/dbraw/zinc/08/09/88/195080988.db2.gz FJZKABHJGTZDRK-IBPRQYQWSA-N 0 0 450.528 2.839 40 0 JFABRN COc1cc([C@@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)ccc1O ZINC000012661319 195081013 /nfs/dbraw/zinc/08/10/13/195081013.db2.gz FJZKABHJGTZDRK-MDAIXWLXSA-N 0 0 450.528 2.839 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000012701544 195091522 /nfs/dbraw/zinc/09/15/22/195091522.db2.gz NRLLFTQREKGDFC-MRXNPFEDSA-N 0 0 494.552 2.543 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000012701538 195091576 /nfs/dbraw/zinc/09/15/76/195091576.db2.gz NRLLFTQREKGDFC-INIZCTEOSA-N 0 0 494.552 2.543 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C)C(=O)NC3CCCC3)n2)cc1 ZINC000012701190 195091577 /nfs/dbraw/zinc/09/15/77/195091577.db2.gz JQQGIAGRDVHAIY-GOSISDBHSA-N 0 0 490.564 2.853 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(CCCO)[C@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)o1 ZINC000012701927 195091747 /nfs/dbraw/zinc/09/17/47/195091747.db2.gz KEGZAFLXZCVWFU-QHCPKHFHSA-N 0 0 480.569 2.561 40 0 JFABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2F)[C@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000012703338 195091933 /nfs/dbraw/zinc/09/19/33/195091933.db2.gz ICLIXKNAUGNYDT-IBGZPJMESA-N 0 0 485.541 2.999 40 0 JFABRN Cc1ccc(N(CC(=O)NC(C)(C)C)C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000012708569 195093817 /nfs/dbraw/zinc/09/38/17/195093817.db2.gz VPARCDQQAQRNAS-YTTGMZPUSA-N 0 0 461.559 2.769 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000012708681 195093889 /nfs/dbraw/zinc/09/38/89/195093889.db2.gz AGGASFJSLBCQIJ-KNTRGWTASA-N 0 0 467.607 2.977 40 0 JFABRN Cc1cccc(N(CC(=O)NC(C)(C)C)C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)c1 ZINC000012708549 195093933 /nfs/dbraw/zinc/09/39/33/195093933.db2.gz GDUACTFDICQMHP-YTTGMZPUSA-N 0 0 461.559 2.769 40 0 JFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1 ZINC000012711213 195095255 /nfs/dbraw/zinc/09/52/55/195095255.db2.gz YUIGKMMJXLAFOB-HNAYVOBHSA-N 0 0 499.618 2.877 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1 ZINC000012716293 195097103 /nfs/dbraw/zinc/09/71/03/195097103.db2.gz NSLWGBOVONDCQP-UWJYYQICSA-N 0 0 484.557 2.807 40 0 JFABRN O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)Nc1cccc(NC(=O)c2ccccn2)c1 ZINC000012881505 195168659 /nfs/dbraw/zinc/16/86/59/195168659.db2.gz ZPQYTHIYEUMTDE-UHFFFAOYSA-N 0 0 483.484 2.968 40 0 JFABRN COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5ccc(NC(C)=O)cc5)C(=O)[C@@H]24)O3)cc1OC ZINC000012894230 195174682 /nfs/dbraw/zinc/17/46/82/195174682.db2.gz HIYYJXSEASKAFG-BBNRHVKASA-N 0 0 463.490 2.587 40 0 JFABRN C[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)NCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000012863193 195160246 /nfs/dbraw/zinc/16/02/46/195160246.db2.gz KQQXTKGPLZUWRC-UHMYUZELSA-N 0 0 482.577 2.709 40 0 JFABRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1ccco1 ZINC000020637019 195191671 /nfs/dbraw/zinc/19/16/71/195191671.db2.gz BZFXDBZSDIYUIR-MSOLQXFVSA-N 0 0 464.444 2.827 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cc(OC)ccc1OC ZINC000020802484 195227739 /nfs/dbraw/zinc/22/77/39/195227739.db2.gz ZIKZPVDNJTUTMS-NHCUHLMSSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000057530847 195350367 /nfs/dbraw/zinc/35/03/67/195350367.db2.gz MIAPGGGYASFRAP-FQEVSTJZSA-N 0 0 452.559 2.943 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc(CC)ccc3[nH]c2=O)CC1 ZINC000057589566 195351439 /nfs/dbraw/zinc/35/14/39/195351439.db2.gz ZOKDSRGHKXUCPK-NFBKMPQASA-N 0 0 494.596 2.621 40 0 JFABRN Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)c(=O)[nH]c2c1C ZINC000057589668 195351509 /nfs/dbraw/zinc/35/15/09/195351509.db2.gz OFUJZWWSSCCRJV-QHCPKHFHSA-N 0 0 462.529 2.865 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)cc2c1 ZINC000057594857 195352100 /nfs/dbraw/zinc/35/21/00/195352100.db2.gz VUPAVWFAOQCXMI-HSZRJFAPSA-N 0 0 460.538 2.508 40 0 JFABRN COc1ccc(CN(Cc2nnnn2C[C@H]2CCCO2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000057607845 195353051 /nfs/dbraw/zinc/35/30/51/195353051.db2.gz PEQQEULLXPMFRA-HSZRJFAPSA-N 0 0 490.564 2.913 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000057607882 195353111 /nfs/dbraw/zinc/35/31/11/195353111.db2.gz XMNKJQSYXTVBJU-IBGZPJMESA-N 0 0 466.567 2.966 40 0 JFABRN CCc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000057640320 195353836 /nfs/dbraw/zinc/35/38/36/195353836.db2.gz KFFNYRLGECKLJC-UHFFFAOYSA-N 0 0 450.518 2.649 40 0 JFABRN COc1cc2cc(CN(Cc3ccco3)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c2cc1OC ZINC000057640393 195354275 /nfs/dbraw/zinc/35/42/75/195354275.db2.gz BZKJZOZXLQRTRG-LJQANCHMSA-N 0 0 480.525 2.506 40 0 JFABRN CC[C@H](c1nnnn1CCOC)N(Cc1cccnc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641411 195355367 /nfs/dbraw/zinc/35/53/67/195355367.db2.gz MWOWHPRBBCNDKD-OAQYLSRUSA-N 0 0 493.568 2.727 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1Cc1ccc(F)cc1)C[C@@H]1CCCO1)OCO3 ZINC000057643321 195356931 /nfs/dbraw/zinc/35/69/31/195356931.db2.gz GRQHOAHYSUOROY-FQEVSTJZSA-N 0 0 492.511 2.612 40 0 JFABRN COc1ccccc1N1CCN([C@@H](c2nnnn2CS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1 ZINC000057671759 195357199 /nfs/dbraw/zinc/35/71/99/195357199.db2.gz UPTPDFQLZKEKLV-HSZRJFAPSA-N 0 0 484.626 2.941 40 0 JFABRN COc1ccccc1[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCSCC1 ZINC000057710589 195357754 /nfs/dbraw/zinc/35/77/54/195357754.db2.gz JRAUGFSEMUTUGR-FQEVSTJZSA-N 0 0 459.597 2.560 40 0 JFABRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCN(Cc4ccccc4)C3)cc2)C1 ZINC000057698514 195357841 /nfs/dbraw/zinc/35/78/41/195357841.db2.gz RHVXDFCUHNJDFT-HXUWFJFHSA-N 0 0 477.652 2.961 40 0 aggregator JFABRN CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000057730875 195358989 /nfs/dbraw/zinc/35/89/89/195358989.db2.gz MLSPSOCYBHAVLD-MRXNPFEDSA-N 0 0 467.476 2.588 40 0 JFABRN CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000057730930 195359150 /nfs/dbraw/zinc/35/91/50/195359150.db2.gz XGCWDGNNVDGJDJ-VFNWGFHPSA-N 0 0 452.461 2.958 40 0 JFABRN Cn1c2nc(CN3CCN(c4ccc(F)cc4)CC3)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000096306550 130056880 /nfs/dbraw/zinc/05/68/80/130056880.db2.gz JLCVNRLGLDFXQC-UHFFFAOYSA-N 0 0 482.947 2.586 40 0 JFABRN Cn1c2nc(CN3CCc4ccccc4C3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000096306529 130056958 /nfs/dbraw/zinc/05/69/58/130056958.db2.gz NDFSJGJFJVAVJB-UHFFFAOYSA-N 0 0 494.393 2.803 40 0 JFABRN CCOC(=O)[C@H]1[C@H](c2ccc(C(=O)OC)cc2)c2sc(=O)[nH]c2S[C@@H]1C(=O)OCC ZINC000096318859 130063747 /nfs/dbraw/zinc/06/37/47/130063747.db2.gz WULIHEMIPMNPHO-YDHLFZDLSA-N 0 0 451.522 2.572 40 0 JFABRN O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N=c1sccn1Cc1ccccc1Cl ZINC000103126026 130604789 /nfs/dbraw/zinc/60/47/89/130604789.db2.gz GLTOSTQYDYFLMI-BHJUNGBRSA-N 0 0 489.981 2.787 40 0 JFABRN CC(C)(C)N(CC(=O)NC1CCCCC1)C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1 ZINC000006074287 518699649 /nfs/dbraw/zinc/69/96/49/518699649.db2.gz LMHHEYWNYLRNCQ-WJOKGBTCSA-N 0 0 453.580 2.589 40 0 JFABRN CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N ZINC000006074516 518745992 /nfs/dbraw/zinc/74/59/92/518745992.db2.gz KDXWHGCGAFKGML-GOSISDBHSA-N 0 0 484.557 2.657 40 0 JFABRN CC(C)C[C@@H](NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O ZINC000006135134 519243736 /nfs/dbraw/zinc/24/37/36/519243736.db2.gz DLESLZSNPIALHC-RTBURBONSA-N 0 0 478.590 2.603 40 0 JFABRN CC(C)Oc1ccc(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 ZINC000044850449 519778984 /nfs/dbraw/zinc/77/89/84/519778984.db2.gz ZQKGWIRTOIGLDB-UHFFFAOYSA-N 0 0 451.564 2.975 40 0 JFABRN CCCCCCSC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000008665867 520108702 /nfs/dbraw/zinc/10/87/02/520108702.db2.gz QWAPZLBVSLSCGX-YSFYHYPLSA-N 0 0 492.587 2.590 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000033406052 520484117 /nfs/dbraw/zinc/48/41/17/520484117.db2.gz SQCJSPIJQQSVFJ-FJWZAKCXSA-N 0 0 494.569 2.824 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013920652 520484912 /nfs/dbraw/zinc/48/49/12/520484912.db2.gz JIVNXGJYKLIPMI-FNUHDPNESA-N 0 0 480.542 2.521 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000006227826 520486805 /nfs/dbraw/zinc/48/68/05/520486805.db2.gz XNNICRFUICUXQO-FNUHDPNESA-N 0 0 480.542 2.521 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000002987313 520490323 /nfs/dbraw/zinc/49/03/23/520490323.db2.gz LQCGQVLKHZECAF-VLOXRPPESA-N 0 0 464.543 2.816 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000019937848 520560959 /nfs/dbraw/zinc/56/09/59/520560959.db2.gz JQGUSHHIWKFHFM-UHFFFAOYSA-N 0 0 460.552 2.692 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)cc1 ZINC000006162056 520721673 /nfs/dbraw/zinc/72/16/73/520721673.db2.gz UFXWIBCWRNFOBW-UHFFFAOYSA-N 0 0 487.582 2.702 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000008677010 520722805 /nfs/dbraw/zinc/72/28/05/520722805.db2.gz BNDGOHJSYWATAO-NRFANRHFSA-N 0 0 475.567 2.653 40 0 JFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1OC ZINC000014595060 520781092 /nfs/dbraw/zinc/78/10/92/520781092.db2.gz MZXBHAUVDMVUAD-UHFFFAOYSA-N 0 0 480.539 2.782 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 ZINC000022529947 520802974 /nfs/dbraw/zinc/80/29/74/520802974.db2.gz MDVMHKPJKGOLEC-UHFFFAOYSA-N 0 0 459.977 2.994 40 0 JFABRN CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C3 ZINC000019816654 520811964 /nfs/dbraw/zinc/81/19/64/520811964.db2.gz SZRXQAWWFZTNMP-GFCCVEGCSA-N 0 0 472.523 2.718 40 0 JFABRN CCCCOc1ccc(N(CC(=O)NCCOC)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013501899 520883714 /nfs/dbraw/zinc/88/37/14/520883714.db2.gz LWWFUFSXCLTEDK-UHFFFAOYSA-N 0 0 462.572 2.837 40 0 JFABRN CCOc1ccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000020487758 520947124 /nfs/dbraw/zinc/94/71/24/520947124.db2.gz AQCXNHJBKLNINO-UHFFFAOYSA-N 0 0 476.595 2.619 40 0 JFABRN CCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000019501974 520947655 /nfs/dbraw/zinc/94/76/55/520947655.db2.gz FRBXZKHVONDOQG-OYSWMMLKSA-N 0 0 496.516 2.595 40 0 JFABRN CCC[C@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006501294 520976917 /nfs/dbraw/zinc/97/69/17/520976917.db2.gz ASKVFINENBGVCB-CYBMUJFWSA-N 0 0 477.587 2.572 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(OC)c(OC)c2)cc1C ZINC000020015642 521188211 /nfs/dbraw/zinc/18/82/11/521188211.db2.gz FSXCRXJWFAURHO-UHFFFAOYSA-N 0 0 450.557 2.738 40 0 JFABRN CCOc1cccc(CNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 ZINC000020485074 521350425 /nfs/dbraw/zinc/35/04/25/521350425.db2.gz FFNDIDHPQMDFIQ-UHFFFAOYSA-N 0 0 488.347 2.772 40 0 JFABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1ncc(C(=O)OCC)c(N)n1 ZINC000006089628 521389969 /nfs/dbraw/zinc/38/99/69/521389969.db2.gz XONUWJHNSXAVLN-UHFFFAOYSA-N 0 0 466.541 2.716 40 0 JFABRN CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)cc1)C(C(=O)OC)=C(C)N=2 ZINC000002671516 521450431 /nfs/dbraw/zinc/45/04/31/521450431.db2.gz DKZRIWOBJIEXIA-PZHBDVNGSA-N 0 0 464.543 2.816 40 0 JFABRN CCOc1ccccc1CNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000020460337 521491551 /nfs/dbraw/zinc/49/15/51/521491551.db2.gz BKYBFGYNMKFXEU-UHFFFAOYSA-N 0 0 488.347 2.772 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl ZINC000022527655 521494706 /nfs/dbraw/zinc/49/47/06/521494706.db2.gz WVTGJHYAVMCYNT-UHFFFAOYSA-N 0 0 454.888 2.650 40 0 JFABRN CCCn1c2nnc(SCC(=O)NC(C)(C)C)n2c2cc(C(=O)N[C@H](C)CC)ccc2c1=O ZINC000033256630 521641333 /nfs/dbraw/zinc/64/13/33/521641333.db2.gz JFMYVNOMTNCIJE-CQSZACIVSA-N 0 0 472.615 2.989 40 0 JFABRN CCS(=O)(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[nH]2)C1 ZINC000006161890 521663467 /nfs/dbraw/zinc/66/34/67/521663467.db2.gz FWRBFYMTZZFDPG-MRXNPFEDSA-N 0 0 458.588 2.802 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)CC)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(OC)cc1 ZINC000013503029 521827326 /nfs/dbraw/zinc/82/73/26/521827326.db2.gz HAAUTFLRQAKJAD-FQEVSTJZSA-N 0 0 479.599 2.679 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC000014595152 521899449 /nfs/dbraw/zinc/89/94/49/521899449.db2.gz ALXKNPIGCLHVGS-UHFFFAOYSA-N 0 0 478.523 2.536 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000020245431 521956239 /nfs/dbraw/zinc/95/62/39/521956239.db2.gz OHFNGYISLGGAFN-UHFFFAOYSA-N 0 0 488.507 2.806 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000014823960 521980888 /nfs/dbraw/zinc/98/08/88/521980888.db2.gz SAAFCCJPOHMXOH-UHFFFAOYSA-N 0 0 474.535 2.608 40 0 JFABRN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000016071081 521995342 /nfs/dbraw/zinc/99/53/42/521995342.db2.gz YISURKGQPRIHFR-UHFFFAOYSA-N 0 0 465.597 2.754 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000020083393 522154335 /nfs/dbraw/zinc/15/43/35/522154335.db2.gz BMRNYMPMYYVDTG-RUZDIDTESA-N 0 0 487.608 2.685 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)NC3CCCCC3)nnc1n(C)c2=O ZINC000033256760 522220642 /nfs/dbraw/zinc/22/06/42/522220642.db2.gz NWKHFRVPCFEURN-CQSZACIVSA-N 0 0 470.599 2.651 40 0 JFABRN CN(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000024843912 522518070 /nfs/dbraw/zinc/51/80/70/522518070.db2.gz OVUBBQQWFHTPLH-UHFFFAOYSA-N 0 0 451.548 2.918 40 0 JFABRN COc1cc([C@@H]2OC(=O)[C@@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC(=O)[C@H]23)cc(OC)c1OC ZINC000018117272 522930916 /nfs/dbraw/zinc/93/09/16/522930916.db2.gz CXVHFGPMGPBZMK-LWYYNNOASA-N 0 0 474.462 2.867 40 0 JFABRN COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCC[C@@H]3COC)[C@H](O)[C@H]2[C@@H]1C ZINC000020467105 522955884 /nfs/dbraw/zinc/95/58/84/522955884.db2.gz UHFKRQWXMSOFQO-JVPIGSJLSA-N 0 0 452.636 2.605 40 0 biogenic,in-vitro JFABRN COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCC[C@@H]3COC)[C@H](O)[C@H]2[C@@H]1C ZINC000020467108 522958346 /nfs/dbraw/zinc/95/83/46/522958346.db2.gz UHFKRQWXMSOFQO-AFYWXGGBSA-N 0 0 452.636 2.605 40 0 biogenic,in-vitro JFABRN CN(c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1)S(C)(=O)=O ZINC000020457537 523645713 /nfs/dbraw/zinc/64/57/13/523645713.db2.gz LAESBVFZEBUZHD-UHFFFAOYSA-N 0 0 465.597 2.650 40 0 JFABRN COc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1S(=O)(=O)NC(C)C ZINC000016575474 523648391 /nfs/dbraw/zinc/64/83/91/523648391.db2.gz SLTLEBKUAUKQIC-JXMROGBWSA-N 0 0 457.596 2.853 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000006632180 523768579 /nfs/dbraw/zinc/76/85/79/523768579.db2.gz PYYTZMIGDLJJCZ-LJQANCHMSA-N 0 0 496.543 2.977 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(OC)cc1OC ZINC000006632178 523768765 /nfs/dbraw/zinc/76/87/65/523768765.db2.gz LCTSCJPIUAJTIK-QGZVFWFLSA-N 0 0 484.557 2.985 40 0 JFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)N(c1ccccc1)S(C)(=O)=O ZINC000013685915 523803955 /nfs/dbraw/zinc/80/39/55/523803955.db2.gz GQBPJTWMXUGFHG-GHTZIAJQSA-N 0 0 459.568 2.779 40 0 JFABRN COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(S(C)(=O)=O)cc3)n2)cn1 ZINC000049155086 523962573 /nfs/dbraw/zinc/96/25/73/523962573.db2.gz XVLPQNUUPFSASC-IBGZPJMESA-N 0 0 457.556 2.931 40 0 biogenic,in-vitro JFABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3ccccc3F)nnc1n(C)c2=O ZINC000033256793 524000556 /nfs/dbraw/zinc/00/05/56/524000556.db2.gz TWSWSXCFFITVBY-ZDUSSCGKSA-N 0 0 482.541 2.979 40 0 JFABRN COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3ccc(S(C)(=O)=O)cc3)n2)ccn1 ZINC000035424845 524037714 /nfs/dbraw/zinc/03/77/14/524037714.db2.gz SUHXJWKQOCLPMP-IBGZPJMESA-N 0 0 458.540 2.897 40 0 biogenic,in-vitro JFABRN COc1ccc(CNC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1OC ZINC000044880093 524049921 /nfs/dbraw/zinc/04/99/21/524049921.db2.gz MIAJUWVOFRFGTQ-UHFFFAOYSA-N 0 0 471.373 2.857 40 0 JFABRN C[C@@H](C(=O)NCCSCc1ccccc1F)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000013672575 524189426 /nfs/dbraw/zinc/18/94/26/524189426.db2.gz OSTNKLQMFIGJRS-HNNXBMFYSA-N 0 0 468.572 2.801 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)c(C)cc3[nH]c2=O)N2CCOCC2)cc1 ZINC000020079961 524268738 /nfs/dbraw/zinc/26/87/38/524268738.db2.gz BUORCMGLGMWAQC-HSZRJFAPSA-N 0 0 460.538 2.610 40 0 JFABRN COc1ccc(N(CC(=O)NCCC(C)C)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c(OC)c1 ZINC000012479205 524358977 /nfs/dbraw/zinc/35/89/77/524358977.db2.gz ZSQMKUZMTYQSMN-UHFFFAOYSA-N 0 0 480.569 2.861 40 0 JFABRN COc1ccc(N(CC(=O)N(C)Cc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1Cl ZINC000030864697 524359006 /nfs/dbraw/zinc/35/90/06/524359006.db2.gz YPLGJVFFASLGSB-UHFFFAOYSA-N 0 0 456.948 2.790 40 0 JFABRN COc1ccccc1N1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000013504384 524561852 /nfs/dbraw/zinc/56/18/52/524561852.db2.gz WSKDNJLBIMJHDQ-OFNKIYASSA-N 0 0 452.534 2.911 40 0 JFABRN COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)Nc4ccc(C(C)=O)cc4)CO[C@H]23)cc1 ZINC000004235614 524581114 /nfs/dbraw/zinc/58/11/14/524581114.db2.gz TYUQMAUSJYPCQM-DOIPELPJSA-N 0 0 455.467 2.803 40 0 biogenic,in-vitro JFABRN Cc1cccc(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3CCC(=O)NC(C)C)c1 ZINC000033292017 524605353 /nfs/dbraw/zinc/60/53/53/524605353.db2.gz CKZWTKZHXFXDMB-UHFFFAOYSA-N 0 0 478.578 2.998 40 0 JFABRN Cc1cccc(NCc2nnc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n2-c2ccccc2)c1 ZINC000020408339 524687031 /nfs/dbraw/zinc/68/70/31/524687031.db2.gz QYJOBOUSTHOUKY-UHFFFAOYSA-N 0 0 488.577 2.623 40 0 JFABRN Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(S(=O)(=O)Cc4ccccc4)C2)[nH]c3=O)cc1 ZINC000006161865 524777210 /nfs/dbraw/zinc/77/72/10/524777210.db2.gz RXAHGMXKTMLQJJ-HXUWFJFHSA-N 0 0 478.578 2.581 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)CC2)c1 ZINC000020018059 524875308 /nfs/dbraw/zinc/87/53/08/524875308.db2.gz NKNUDLUDHDSNOB-INIZCTEOSA-N 0 0 492.594 2.999 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)C2)cc1 ZINC000033103607 525029082 /nfs/dbraw/zinc/02/90/82/525029082.db2.gz KATPIQRODGECBD-HXUWFJFHSA-N 0 0 485.606 2.900 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)cc1C(=O)N1CCCC1 ZINC000044899937 525068292 /nfs/dbraw/zinc/06/82/92/525068292.db2.gz CYOVFMWGFFAXBP-UHFFFAOYSA-N 0 0 454.552 2.904 40 0 JFABRN COc1ncn([C@H]2C[C@H](OC(=O)c3ccc(C)cc3)[C@@H](COC(=O)c3ccc(C)cc3)O2)c(=O)n1 ZINC000005124791 525078473 /nfs/dbraw/zinc/07/84/73/525078473.db2.gz ZUWKKHQJSZOTKK-PWRODBHTSA-N 0 0 479.489 2.634 40 0 JFABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccc(F)cc1 ZINC000022537504 525119077 /nfs/dbraw/zinc/11/90/77/525119077.db2.gz GVYXPOHUKDYNCY-CQSZACIVSA-N 0 0 456.923 2.756 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc(Br)cc1 ZINC000020495129 525150141 /nfs/dbraw/zinc/15/01/41/525150141.db2.gz FDLPFXWBPFSASM-UHFFFAOYSA-N 0 0 463.357 2.717 40 0 JFABRN CS(=O)(=O)N1C[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)Oc2ccc(Cl)cc21 ZINC000020486636 525185031 /nfs/dbraw/zinc/18/50/31/525185031.db2.gz LLUBFSFTAJTWCR-PABBZOGXSA-N 0 0 475.998 2.725 40 0 JFABRN COc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(C(=O)c3ccco3)CC2)cc1OC ZINC000013505338 525214481 /nfs/dbraw/zinc/21/44/81/525214481.db2.gz QACZNFIYRHXJDO-QFIPXVFZSA-N 0 0 494.577 2.941 40 0 JFABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc43)cc2c1 ZINC000006162965 525477426 /nfs/dbraw/zinc/47/74/26/525477426.db2.gz SCFMERLVFXLPGK-WMZHIEFXSA-N 0 0 458.522 2.854 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000026438674 525492156 /nfs/dbraw/zinc/49/21/56/525492156.db2.gz XQHMQVCRRVYMFW-LJQANCHMSA-N 0 0 481.500 2.853 40 0 JFABRN COc1cccc(-c2csc(N3CCN(C(=S)NCCCN4CCOCC4)CC3)n2)c1 ZINC000026416619 525718973 /nfs/dbraw/zinc/71/89/73/525718973.db2.gz LYOXITGDZXIETK-UHFFFAOYSA-N 0 0 461.657 2.538 40 0 JFABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(CCCO)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000012476783 525871606 /nfs/dbraw/zinc/87/16/06/525871606.db2.gz UFUVBKJOCACRFX-JOCHJYFZSA-N 0 0 482.560 2.655 40 0 JFABRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000034858832 525895999 /nfs/dbraw/zinc/89/59/99/525895999.db2.gz KDJUOWMZZHQAEX-YKGACUOXSA-N 0 0 466.600 2.725 40 0 JFABRN C[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466500 526050849 /nfs/dbraw/zinc/05/08/49/526050849.db2.gz WZTONKIFGNXPPQ-CCIZZTQPSA-N 0 0 491.717 2.959 40 0 biogenic,in-vitro JFABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1NS(C)(=O)=O ZINC000013677799 526223426 /nfs/dbraw/zinc/22/34/26/526223426.db2.gz KWWZNEGRZFEQLD-UHFFFAOYSA-N 0 0 451.570 2.793 40 0 JFABRN O=C(NCCSCc1ccccc1F)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000044900012 526373512 /nfs/dbraw/zinc/37/35/12/526373512.db2.gz NALZBKUVBMZMLN-UHFFFAOYSA-N 0 0 452.573 2.651 40 0 JFABRN O=C(O[C@H](CO)[C@H](OC(=O)c1ccccc1)[C@H](O)[C@@H]1COC2(CCCCC2)O1)c1ccccc1 ZINC000036052119 526436364 /nfs/dbraw/zinc/43/63/64/526436364.db2.gz JJEBFUXIGCYODM-ACESQOTJSA-N 0 0 470.518 2.867 40 0 JFABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020453302 526601968 /nfs/dbraw/zinc/60/19/68/526601968.db2.gz ZBPOIJMRNHPYLG-HXUWFJFHSA-N 0 0 471.579 2.773 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000016524988 526626041 /nfs/dbraw/zinc/62/60/41/526626041.db2.gz LOUGWBHIBWYNAS-PMACEKPBSA-N 0 0 460.486 2.826 40 0 JFABRN Cc1sc2nc(CN3CCN(C(=O)c4ccco4)CC3)n(C(=O)c3ccco3)c(=O)c2c1C ZINC000013566126 526892270 /nfs/dbraw/zinc/89/22/70/526892270.db2.gz OQYNIXOLKAXNQA-UHFFFAOYSA-N 0 0 466.519 2.907 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 ZINC000024490686 526910756 /nfs/dbraw/zinc/91/07/56/526910756.db2.gz FLRPYQUWTMPDHF-HNNXBMFYSA-N 0 0 480.384 2.516 40 0 JFABRN NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccccc2)c2cccc(C(F)(F)F)c2)c1N ZINC000012472631 527105821 /nfs/dbraw/zinc/10/58/21/527105821.db2.gz XBKOXOQEVXMKJJ-UHFFFAOYSA-N 0 0 477.468 2.806 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000012473134 527105969 /nfs/dbraw/zinc/10/59/69/527105969.db2.gz ZJGKIMUZGOTMHH-YLJYHZDGSA-N 0 0 497.552 2.647 40 0 JFABRN Cn1c2nnc(SCc3nnc(C(=O)NCc4ccc(F)cc4)s3)n2c2ccccc2c1=O ZINC000023139360 527127571 /nfs/dbraw/zinc/12/75/71/527127571.db2.gz KHUZQSKPJXSSQX-UHFFFAOYSA-N 0 0 481.538 2.794 40 0 JFABRN O=c1[nH]c([C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000006173179 527195775 /nfs/dbraw/zinc/19/57/75/527195775.db2.gz DFZUMOGVTBKONU-SFHVURJKSA-N 0 0 482.541 2.824 40 0 JFABRN O=S(=O)(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2cccs2)n1)c1cccc2cccnc21 ZINC000005433865 527243871 /nfs/dbraw/zinc/24/38/71/527243871.db2.gz NXOIVYSVGPEPFQ-PEYKTXOXSA-N 0 0 495.586 2.679 40 0 biogenic,in-vitro JFABRN O=C(Cc1nnc2sc(-c3ccc(CC(=O)N4CCCCC4)cc3)nn12)N1CCCCC1 ZINC000041126951 527344221 /nfs/dbraw/zinc/34/42/21/527344221.db2.gz JMERIGKWGGDEQE-UHFFFAOYSA-N 0 0 452.584 2.963 40 0 JFABRN O=C(Cn1nnc2ccccc21)N(C[C@H]1CCCO1)[C@@H](C(=O)NCc1ccco1)c1ccco1 ZINC000013502433 527430651 /nfs/dbraw/zinc/43/06/51/527430651.db2.gz GAOUSDYBDHKYRX-WZONZLPQSA-N 0 0 463.494 2.683 40 0 JFABRN O=C([O-])C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000020463194 527630512 /nfs/dbraw/zinc/63/05/12/527630512.db2.gz JLDHEAUEPCBLHE-XXTHSBEZSA-N 0 0 463.578 2.911 40 0 biogenic,in-vitro JFABRN O=C(NCCCCCCNC(=O)NC[C@@H]1COc2ccccc2O1)NC[C@@H]1COc2ccccc2O1 ZINC000016524967 527640802 /nfs/dbraw/zinc/64/08/02/527640802.db2.gz WPNLZBOXMJJXLF-WOJBJXKFSA-N 0 0 498.580 2.825 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000000707215 553764052 /nfs/dbraw/zinc/76/40/52/553764052.db2.gz ICIKXAMSYXNZKH-XGHXRCDJSA-N 0 0 456.545 2.574 40 0 JFABRN COc1cccc2cc(C(=O)Nc3ccccc3-c3nnn(CC(=O)NC(C)(C)C)n3)c(=O)oc21 ZINC000000797061 553782386 /nfs/dbraw/zinc/78/23/86/553782386.db2.gz RMTDEQOIYYXXBJ-UHFFFAOYSA-N 0 0 476.493 2.622 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccccc2)cc1OC ZINC000000832017 553790707 /nfs/dbraw/zinc/79/07/07/553790707.db2.gz RCDGXLRNNSGLCA-UHFFFAOYSA-N 0 0 455.536 2.606 40 0 JFABRN Cc1cc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCc3ccco3)cc2c1 ZINC000000875532 553812692 /nfs/dbraw/zinc/81/26/92/553812692.db2.gz RGKAJHGHQWYLOJ-UHFFFAOYSA-N 0 0 454.596 2.947 40 0 JFABRN Cc1ccc(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 ZINC000000883729 553820567 /nfs/dbraw/zinc/82/05/67/553820567.db2.gz MGIROHYCCKQFQH-UHFFFAOYSA-N 0 0 472.592 2.786 40 0 JFABRN COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc43)c(=O)[nH]c2c1 ZINC000000890503 553827593 /nfs/dbraw/zinc/82/75/93/553827593.db2.gz VKBLGFUVFAIWBN-CVDCTZTESA-N 0 0 458.522 2.854 40 0 JFABRN COc1cc2cc(CN(Cc3cccnc3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2cc1OC ZINC000000895272 553831450 /nfs/dbraw/zinc/83/14/50/553831450.db2.gz JWDHDJSGDNTPTI-LJQANCHMSA-N 0 0 468.579 2.996 40 0 JFABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000000913878 553842901 /nfs/dbraw/zinc/84/29/01/553842901.db2.gz GBHRKXPEQZXVQJ-HXUWFJFHSA-N 0 0 470.547 2.993 40 0 JFABRN COC(=O)c1cccc(S(=O)(=O)N(Cc2cc3ccc(OC)cc3[nH]c2=O)C[C@H]2CCCO2)c1 ZINC000000917953 553849070 /nfs/dbraw/zinc/84/90/70/553849070.db2.gz GTTRURGNVFMZPZ-HXUWFJFHSA-N 0 0 486.546 2.693 40 0 JFABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000000918356 553849637 /nfs/dbraw/zinc/84/96/37/553849637.db2.gz QNUNIHXZTPWLHM-IBGZPJMESA-N 0 0 486.546 2.693 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)c1 ZINC000000919769 553851316 /nfs/dbraw/zinc/85/13/16/553851316.db2.gz KSXUPKIPSVFCBW-UHFFFAOYSA-N 0 0 451.512 2.516 40 0 JFABRN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1cccc(OC)c1 ZINC000000922134 553855856 /nfs/dbraw/zinc/85/58/56/553855856.db2.gz CTCMJIRHOVPTHH-UHFFFAOYSA-N 0 0 450.528 2.739 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000927470 553864140 /nfs/dbraw/zinc/86/41/40/553864140.db2.gz BNSHRJIEQMASFZ-UHFFFAOYSA-N 0 0 466.567 2.958 40 0 JFABRN O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccccn2)cc1 ZINC000000933781 553872295 /nfs/dbraw/zinc/87/22/95/553872295.db2.gz AEIPFULGAXOUHS-LJQANCHMSA-N 0 0 491.591 2.523 40 0 JFABRN COc1ccc(CCN(Cc2ccccn2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1OC ZINC000000934244 553872894 /nfs/dbraw/zinc/87/28/94/553872894.db2.gz CKBZJDJXKUJSRX-UHFFFAOYSA-N 0 0 494.577 2.817 40 0 JFABRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C\c3ccco3)c(=O)n21 ZINC000002177397 554077781 /nfs/dbraw/zinc/07/77/81/554077781.db2.gz VQAGSMQFQTXPHS-MTGKDYNDSA-N 0 0 468.531 2.799 40 0 JFABRN COC(=O)[C@@](C)(NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000006005336 554499381 /nfs/dbraw/zinc/49/93/81/554499381.db2.gz MIIRPCCNBGCALP-MWTRTKDXSA-N 0 0 450.532 2.816 40 0 JFABRN CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006075161 554502203 /nfs/dbraw/zinc/50/22/03/554502203.db2.gz XCIOFCWHRVULSW-IRLDBZIGSA-N 0 0 495.559 2.538 40 0 JFABRN COCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000006239045 554520640 /nfs/dbraw/zinc/52/06/40/554520640.db2.gz DCSRVVBCBIMHJM-UHFFFAOYSA-N 0 0 455.536 2.789 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCCO)C(=S)NCCc1ccccc1)OCCO3 ZINC000006446446 554540740 /nfs/dbraw/zinc/54/07/40/554540740.db2.gz QDQXAENOWLJDPP-UHFFFAOYSA-N 0 0 453.564 2.601 40 0 JFABRN CCC[C@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC ZINC000006501518 554547844 /nfs/dbraw/zinc/54/78/44/554547844.db2.gz XUZKCYOTSZDSMP-OAHLLOKOSA-N 0 0 461.588 2.811 40 0 JFABRN CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(F)cc1 ZINC000006600056 554554992 /nfs/dbraw/zinc/55/49/92/554554992.db2.gz ZWBRCNYEXVKPET-IBGZPJMESA-N 0 0 493.605 2.736 40 0 JFABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000006601015 554555660 /nfs/dbraw/zinc/55/56/60/554555660.db2.gz GBPJEYNSXONSKU-CQSZACIVSA-N 0 0 467.551 2.575 40 0 JFABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](CC)C(=O)NC1CCCC1 ZINC000006821130 554558306 /nfs/dbraw/zinc/55/83/06/554558306.db2.gz PMLZNKIAQLXVPC-CQSZACIVSA-N 0 0 459.572 2.707 40 0 JFABRN CCC[C@]1(C(=O)OC)N[C@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000008036072 554563892 /nfs/dbraw/zinc/56/38/92/554563892.db2.gz FRBXZKHVONDOQG-SRCYTUNASA-N 0 0 496.516 2.595 40 0 JFABRN O=C(COc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(NS(=O)(=O)c3cccs3)c12 ZINC000008263747 554564555 /nfs/dbraw/zinc/56/45/55/554564555.db2.gz BOGMLAQPNHELTD-DLBZAZTESA-N 0 0 485.587 2.735 40 0 biogenic,in-vitro JFABRN CCCS(=O)(=O)Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)Nc3ccc(OC)cc3)C1)C2 ZINC000008263789 554564763 /nfs/dbraw/zinc/56/47/63/554564763.db2.gz CWMLKKUIMVZUKP-JKSUJKDBSA-N 0 0 460.556 2.660 40 0 biogenic,in-vitro JFABRN COc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)NC(C)C)[C@H]2C(=O)N3)c(OC)c1 ZINC000008296638 554564829 /nfs/dbraw/zinc/56/48/29/554564829.db2.gz LKWNWABVNMUDDB-FPOVZHCZSA-N 0 0 452.511 2.614 40 0 biogenic,in-vitro JFABRN COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)NC3CCCCC3)n2)cc1 ZINC000008297313 554565025 /nfs/dbraw/zinc/56/50/25/554565025.db2.gz QLATZWXWUYZFIQ-FNAHDJPLSA-N 0 0 453.543 2.731 40 0 biogenic,in-vitro JFABRN COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccc(NC(C)=O)cc5)C(=O)[C@@H]24)O3)cc(OC)c1OC ZINC000008764502 554664899 /nfs/dbraw/zinc/66/48/99/554664899.db2.gz JGTYYGOXBQQZLB-IUVOSCESSA-N 0 0 493.516 2.596 40 0 JFABRN COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(C(F)(F)F)cc3)c(=O)n12 ZINC000008892197 554780351 /nfs/dbraw/zinc/78/03/51/554780351.db2.gz VUAAVCRHCIHOHE-QTMFMZSGSA-N 0 0 474.460 2.878 40 0 JFABRN COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(C(F)(F)F)cc3)c(=O)n12 ZINC000008892196 554780356 /nfs/dbraw/zinc/78/03/56/554780356.db2.gz VUAAVCRHCIHOHE-PTLRMSDHSA-N 0 0 474.460 2.878 40 0 JFABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NN3CCN(C)CC3)n2)cc1 ZINC000008964362 554838229 /nfs/dbraw/zinc/83/82/29/554838229.db2.gz JYWHUEHICAMBLD-UHFFFAOYSA-N 0 0 455.506 2.932 40 0 JFABRN CCCCN1C(=O)[C@H]2[C@@H](CCSC)[NH2+][C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O ZINC000008971755 554843994 /nfs/dbraw/zinc/84/39/94/554843994.db2.gz YUKOQZBTSJQSDD-NARAOEGZSA-N 0 0 466.401 2.723 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1 ZINC000008995069 554855385 /nfs/dbraw/zinc/85/53/85/554855385.db2.gz MTEABHHEGQGUMR-DEOSSOPVSA-N 0 0 480.521 2.632 40 0 JFABRN COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000009063791 554881650 /nfs/dbraw/zinc/88/16/50/554881650.db2.gz JUXIETFPRGYDRJ-UHFFFAOYSA-N 0 0 461.559 2.971 40 0 JFABRN C[C@H]1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4O3)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000009159192 554948808 /nfs/dbraw/zinc/94/88/08/554948808.db2.gz PZMQVYFLDMXNGZ-IYOUNJFTSA-N 0 0 490.603 2.568 40 0 JFABRN O=C(CN1C(=O)S/C(=C/c2ccc(O)c(I)c2)C1=O)N1CCCC1 ZINC000009233932 555007091 /nfs/dbraw/zinc/00/70/91/555007091.db2.gz JDTLUFUPZNOXGF-MDWZMJQESA-N 0 0 458.277 2.656 40 0 JFABRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(Cl)cc42)N2CCC[C@@H]32)cc1 ZINC000009329610 555100263 /nfs/dbraw/zinc/10/02/63/555100263.db2.gz VHIYIIXDRDRSKP-AZXNSQLWSA-N 0 0 465.893 2.697 40 0 JFABRN COc1cc(-c2nc3c([nH]c(=O)n3-c3cccc(C)c3)c(C(N)=O)n2)cc(Br)c1O ZINC000009407965 555169610 /nfs/dbraw/zinc/16/96/10/555169610.db2.gz JDMIIXZSCHHXTL-UHFFFAOYSA-N 0 0 470.283 2.660 40 0 JFABRN CCOc1ccccc1N1C(=O)C[C@@H](N2CCC(n3nnc(-c4cccs4)n3)CC2)C1=O ZINC000009482623 555261702 /nfs/dbraw/zinc/26/17/02/555261702.db2.gz MSTDQYQZGXEQQZ-QGZVFWFLSA-N 0 0 452.540 2.769 40 0 JFABRN COc1cccc(-n2c3nnc(SCC(=O)NC(=O)NC4CCCC4)n3c3ccccc3c2=O)c1 ZINC000009495202 555279750 /nfs/dbraw/zinc/27/97/50/555279750.db2.gz FXIMBXDMWMUYOX-UHFFFAOYSA-N 0 0 492.561 2.903 40 0 JFABRN CC(C)[C@H](C(=O)NCc1ccco1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013151054 555358170 /nfs/dbraw/zinc/35/81/70/555358170.db2.gz JECCIABWWQNOHP-JOCHJYFZSA-N 0 0 473.551 2.521 40 0 JFABRN CC[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1C ZINC000013151041 555358172 /nfs/dbraw/zinc/35/81/72/555358172.db2.gz FLPMEMQZSCISCD-NRFANRHFSA-N 0 0 469.563 2.995 40 0 JFABRN CC(C)[C@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013151057 555358214 /nfs/dbraw/zinc/35/82/14/555358214.db2.gz OKUFGBZSOSYELA-JOCHJYFZSA-N 0 0 461.584 2.670 40 0 JFABRN CC(C)[C@@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013151058 555358226 /nfs/dbraw/zinc/35/82/26/555358226.db2.gz OKUFGBZSOSYELA-QFIPXVFZSA-N 0 0 461.584 2.670 40 0 JFABRN CCOC(=O)[C@H]1C(c2ccc(C)cc2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F ZINC000013407960 555396960 /nfs/dbraw/zinc/39/69/60/555396960.db2.gz QANCMLFPWRPMBF-MPHVTYKXSA-N 0 0 487.393 2.542 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCO)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495980 555409892 /nfs/dbraw/zinc/40/98/92/555409892.db2.gz BKYSAWYCHWDWEV-OAQYLSRUSA-N 0 0 452.515 2.500 40 0 JFABRN COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)o2)c1 ZINC000013496160 555411191 /nfs/dbraw/zinc/41/11/91/555411191.db2.gz SLAIQJPNCQQPFA-UHFFFAOYSA-N 0 0 462.509 2.626 40 0 JFABRN CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)o2)cc1 ZINC000013496141 555411230 /nfs/dbraw/zinc/41/12/30/555411230.db2.gz LGOIAQYCLVDANZ-UHFFFAOYSA-N 0 0 476.536 2.635 40 0 JFABRN CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013501005 555446308 /nfs/dbraw/zinc/44/63/08/555446308.db2.gz ROIVOHNGUITHMN-SFTDATJTSA-N 0 0 454.575 2.646 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1ccccn1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000013501317 555449037 /nfs/dbraw/zinc/44/90/37/555449037.db2.gz PALKRCQGVHNVOO-OFVILXPXSA-N 0 0 482.581 2.620 40 0 JFABRN CCOc1ccc([C@@H](C(=O)NC(C)C)N(CCOC)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000013501403 555449600 /nfs/dbraw/zinc/44/96/00/555449600.db2.gz ZTJNHHDIYVHJQY-DEOSSOPVSA-N 0 0 470.570 2.940 40 0 JFABRN CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2 ZINC000013501928 555451970 /nfs/dbraw/zinc/45/19/70/555451970.db2.gz FASBCQKLOPQVGI-UHFFFAOYSA-N 0 0 460.556 2.829 40 0 JFABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502751 555456994 /nfs/dbraw/zinc/45/69/94/555456994.db2.gz WJTDFPXOTMNQOC-HXUWFJFHSA-N 0 0 463.625 2.893 40 0 JFABRN CCC[C@@H](C(=O)NC[C@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000013502854 555457915 /nfs/dbraw/zinc/45/79/15/555457915.db2.gz GMVXCGOYUHEDFB-IRLDBZIGSA-N 0 0 491.585 2.601 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2cccs2)cc1 ZINC000013502956 555458482 /nfs/dbraw/zinc/45/84/82/555458482.db2.gz FZEHVDQWVTZHJU-UHFFFAOYSA-N 0 0 489.594 2.819 40 0 JFABRN CC(C)[C@@H](C(=O)NCc1ccco1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013503114 555459345 /nfs/dbraw/zinc/45/93/45/555459345.db2.gz BNFKVVCJYJNBGQ-QFIPXVFZSA-N 0 0 491.541 2.660 40 0 JFABRN COc1ccccc1N(CC(=O)NCc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503257 555460058 /nfs/dbraw/zinc/46/00/58/555460058.db2.gz LZLDDUFEQACLQF-UHFFFAOYSA-N 0 0 491.953 2.570 40 0 JFABRN COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1OC ZINC000013503924 555462194 /nfs/dbraw/zinc/46/21/94/555462194.db2.gz QKJFKZPGUWCGMZ-JOCHJYFZSA-N 0 0 466.542 2.946 40 0 JFABRN CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)c(OC)c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000013504168 555462965 /nfs/dbraw/zinc/46/29/65/555462965.db2.gz IFWWXCUOEFMKHI-OAQYLSRUSA-N 0 0 468.558 2.976 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013504451 555463865 /nfs/dbraw/zinc/46/38/65/555463865.db2.gz GEADHIJDGWQAMA-REWPJTCUSA-N 0 0 452.534 2.911 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1C ZINC000013505848 555468357 /nfs/dbraw/zinc/46/83/57/555468357.db2.gz HZRDMYUUOIVLIN-NTKDMRAZSA-N 0 0 486.569 2.522 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013506872 555474325 /nfs/dbraw/zinc/47/43/25/555474325.db2.gz SKBXZCYLDNDZOW-QHCPKHFHSA-N 0 0 469.538 2.510 40 0 JFABRN COCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000013507906 555477262 /nfs/dbraw/zinc/47/72/62/555477262.db2.gz ITOHHZYARBLZPR-HSZRJFAPSA-N 0 0 455.555 2.983 40 0 JFABRN COCCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 ZINC000013508476 555478869 /nfs/dbraw/zinc/47/88/69/555478869.db2.gz NSVVDUGSPSJPOY-HSZRJFAPSA-N 0 0 463.494 2.570 40 0 JFABRN COCCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(C)=O)c1 ZINC000013508563 555479070 /nfs/dbraw/zinc/47/90/70/555479070.db2.gz RIVAWSCGGDAUKV-XMMPIXPASA-N 0 0 475.505 2.764 40 0 JFABRN COCCNC(=O)[C@H](c1ccco1)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 ZINC000013508577 555479089 /nfs/dbraw/zinc/47/90/89/555479089.db2.gz KFNKAPGCVHTPRJ-DEOSSOPVSA-N 0 0 477.521 2.566 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(Cl)cc1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013509386 555481351 /nfs/dbraw/zinc/48/13/51/555481351.db2.gz VHHIHSKGUADZLU-XXBNENTESA-N 0 0 485.972 2.596 40 0 JFABRN CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000013565575 555502033 /nfs/dbraw/zinc/50/20/33/555502033.db2.gz OHAZKRKNPJXRCE-DEOSSOPVSA-N 0 0 479.602 2.857 40 0 JFABRN CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000013565726 555502614 /nfs/dbraw/zinc/50/26/14/555502614.db2.gz LFIVTUVYFMLAPL-XMMPIXPASA-N 0 0 497.592 2.996 40 0 JFABRN COC(=O)C1=C(CN(C)CCc2ccc(OC)c(OC)c2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013565851 555502837 /nfs/dbraw/zinc/50/28/37/555502837.db2.gz BVUZFQKHDXZHMI-HSZRJFAPSA-N 0 0 469.538 2.668 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000019856288 555514804 /nfs/dbraw/zinc/51/48/04/555514804.db2.gz HWFVHMSXANYDOL-UHFFFAOYSA-N 0 0 474.004 2.775 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000013580814 555519153 /nfs/dbraw/zinc/51/91/53/555519153.db2.gz YCSKFVQAFHGKAY-FQEVSTJZSA-N 0 0 475.586 2.579 40 0 JFABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000019867607 555521689 /nfs/dbraw/zinc/52/16/89/555521689.db2.gz SSBOJBBKIIHHTE-NRFANRHFSA-N 0 0 485.606 2.776 40 0 JFABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000019867490 555521771 /nfs/dbraw/zinc/52/17/71/555521771.db2.gz CEQCGJDLGQIZBO-UHFFFAOYSA-N 0 0 494.639 2.746 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 ZINC000019867698 555522003 /nfs/dbraw/zinc/52/20/03/555522003.db2.gz YQUAXLXTBWUWQA-UHFFFAOYSA-N 0 0 473.595 2.552 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000013633429 555543530 /nfs/dbraw/zinc/54/35/30/555543530.db2.gz LDFZSLYIRXYQSO-DHZHZOJOSA-N 0 0 471.623 2.954 40 0 JFABRN CCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929956 555547171 /nfs/dbraw/zinc/54/71/71/555547171.db2.gz IQVPQSKOKCKXCV-DHZHZOJOSA-N 0 0 471.623 2.872 40 0 JFABRN CCN(CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929976 555547203 /nfs/dbraw/zinc/54/72/03/555547203.db2.gz AMUFEIPHKKMUEC-INIZCTEOSA-N 0 0 450.557 2.909 40 0 JFABRN CCN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930268 555547514 /nfs/dbraw/zinc/54/75/14/555547514.db2.gz UFSOQBBMLXDMGW-UHFFFAOYSA-N 0 0 451.976 2.708 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000019931470 555548764 /nfs/dbraw/zinc/54/87/64/555548764.db2.gz KNDPBHBKJLUDKZ-UHFFFAOYSA-N 0 0 459.977 2.994 40 0 JFABRN COC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc1 ZINC000019935369 555552514 /nfs/dbraw/zinc/55/25/14/555552514.db2.gz AJAQHZJFEOOUJF-UHFFFAOYSA-N 0 0 452.916 2.929 40 0 JFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000019935418 555552518 /nfs/dbraw/zinc/55/25/18/555552518.db2.gz ROHXXCUHUGZUGJ-UHFFFAOYSA-N 0 0 481.977 2.991 40 0 JFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)N1CCN(Cc2ccccc2)CC1 ZINC000019935410 555552526 /nfs/dbraw/zinc/55/25/26/555552526.db2.gz OHYXTLLTNVXRPM-UHFFFAOYSA-N 0 0 478.014 2.848 40 0 JFABRN CCOC(=O)N1CCN(C(=O)C[C@H](c2ccc(OC)cc2)N(C)S(=O)(=O)c2ccccc2)CC1 ZINC000019936181 555554078 /nfs/dbraw/zinc/55/40/78/555554078.db2.gz VFUCWVNUDNEPMM-JOCHJYFZSA-N 0 0 489.594 2.748 40 0 JFABRN COc1ccc(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000013649835 555554100 /nfs/dbraw/zinc/55/41/00/555554100.db2.gz WBHGOTAMUJRXNW-UHFFFAOYSA-N 0 0 456.561 2.659 40 0 JFABRN CCN(c1ccc(OCC(=O)NCCCn2ccnc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938057 555555459 /nfs/dbraw/zinc/55/54/59/555555459.db2.gz TXLNMCQZFIPORM-UHFFFAOYSA-N 0 0 456.568 2.992 40 0 JFABRN Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940609 555559148 /nfs/dbraw/zinc/55/91/48/555559148.db2.gz YXEVKCONWVZBMD-BVAGGSTKSA-N 0 0 499.619 2.909 40 0 JFABRN CCOCCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000019941000 555559491 /nfs/dbraw/zinc/55/94/91/555559491.db2.gz GPIYEGUSDQLWCU-UHFFFAOYSA-N 0 0 460.644 2.580 40 0 JFABRN CCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000019941025 555559820 /nfs/dbraw/zinc/55/98/20/555559820.db2.gz SOIIPMUJBUACEL-UHFFFAOYSA-N 0 0 476.643 2.744 40 0 JFABRN COc1cc2cc(CN(CCN3CCOCC3)C(=S)NCc3ccccc3)c(=O)[nH]c2cc1OC ZINC000019941011 555559842 /nfs/dbraw/zinc/55/98/42/555559842.db2.gz BDQDKCWDJHFTKD-UHFFFAOYSA-N 0 0 496.633 2.754 40 0 JFABRN Cc1cccc(N(CC(=O)NC(C)(C)C)C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)c1 ZINC000019941139 555560022 /nfs/dbraw/zinc/56/00/22/555560022.db2.gz GDUACTFDICQMHP-JGCGQSQUSA-N 0 0 461.559 2.769 40 0 JFABRN Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)c1 ZINC000019941191 555560045 /nfs/dbraw/zinc/56/00/45/555560045.db2.gz UFMKHGUWECUWEJ-MGBGTMOVSA-N 0 0 473.570 2.913 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)c(C)c3[nH]c2=O)N2CCN(C)CC2)cc1 ZINC000019941506 555560681 /nfs/dbraw/zinc/56/06/81/555560681.db2.gz OXHYMFFEQJDPHH-XMMPIXPASA-N 0 0 473.581 2.525 40 0 JFABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000013677442 555568360 /nfs/dbraw/zinc/56/83/60/555568360.db2.gz UAWYOWLYPIZIQY-MRXNPFEDSA-N 0 0 479.986 2.914 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)CC1 ZINC000013679919 555571862 /nfs/dbraw/zinc/57/18/62/555571862.db2.gz QGZXGQCURDQNII-UHFFFAOYSA-N 0 0 460.980 2.697 40 0 JFABRN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1OC ZINC000013680881 555573418 /nfs/dbraw/zinc/57/34/18/555573418.db2.gz IZJFZXZHOKIWJF-UHFFFAOYSA-N 0 0 475.548 2.656 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000019972824 555574713 /nfs/dbraw/zinc/57/47/13/555574713.db2.gz CMFCZORUDVKQHL-RUZDIDTESA-N 0 0 487.608 2.998 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000019973072 555574967 /nfs/dbraw/zinc/57/49/67/555574967.db2.gz BBQYOIQTSFWCFY-HSZRJFAPSA-N 0 0 477.544 2.520 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000019973219 555575512 /nfs/dbraw/zinc/57/55/12/555575512.db2.gz DGHKMHVQQCWQDE-XMMPIXPASA-N 0 0 473.581 2.689 40 0 JFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NCCCOC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013686198 555579702 /nfs/dbraw/zinc/57/97/02/555579702.db2.gz XWIVJMBSGJMTEM-OAQYLSRUSA-N 0 0 461.584 2.945 40 0 JFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NCCOC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013686324 555579790 /nfs/dbraw/zinc/57/97/90/555579790.db2.gz OPNAGICTAZDFFF-LJQANCHMSA-N 0 0 467.975 2.900 40 0 JFABRN COc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000020005627 555579852 /nfs/dbraw/zinc/57/98/52/555579852.db2.gz AAZIFDLPXHHQKZ-OAQYLSRUSA-N 0 0 484.574 2.918 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl ZINC000020006385 555581109 /nfs/dbraw/zinc/58/11/09/555581109.db2.gz CIOGGBOWEHNCSE-FQEVSTJZSA-N 0 0 487.965 2.976 40 0 JFABRN O=C(NCc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008099 555582665 /nfs/dbraw/zinc/58/26/65/555582665.db2.gz PWJFGXFTYGOJAD-FQEVSTJZSA-N 0 0 456.495 2.760 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000020009826 555585478 /nfs/dbraw/zinc/58/54/78/555585478.db2.gz HWXLENCSQFSYIK-LJQANCHMSA-N 0 0 487.965 2.976 40 0 JFABRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711618 555589237 /nfs/dbraw/zinc/58/92/37/555589237.db2.gz LWPVGMIZWORAHG-FQEVSTJZSA-N 0 0 465.597 2.654 40 0 JFABRN CC[C@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)N(c1ccccc1)S(C)(=O)=O ZINC000013711685 555589240 /nfs/dbraw/zinc/58/92/40/555589240.db2.gz URMMSAVSBUIRHR-QGZVFWFLSA-N 0 0 450.513 2.674 40 0 JFABRN CC[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712413 555589777 /nfs/dbraw/zinc/58/97/77/555589777.db2.gz VOYMBHWMIGVHEH-FQEVSTJZSA-N 0 0 494.013 2.958 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000020013879 555590024 /nfs/dbraw/zinc/59/00/24/555590024.db2.gz YVTGTQJMOLHRDG-INIZCTEOSA-N 0 0 450.557 2.991 40 0 JFABRN CC[C@@H](C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713851 555591422 /nfs/dbraw/zinc/59/14/22/555591422.db2.gz UNFUZJQHNMCJAH-IBGZPJMESA-N 0 0 462.524 2.752 40 0 JFABRN COc1cccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000013714901 555592551 /nfs/dbraw/zinc/59/25/51/555592551.db2.gz XIFSVJBSGJOGLU-PBNKWJHMSA-N 0 0 459.498 2.840 40 0 JFABRN CC[C@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715869 555593294 /nfs/dbraw/zinc/59/32/94/555593294.db2.gz VQLRDBAAQHXKPJ-QGZVFWFLSA-N 0 0 468.503 2.813 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccc(Br)c2)cc1 ZINC000020021144 555598476 /nfs/dbraw/zinc/59/84/76/555598476.db2.gz JZRJGAOHXGECNW-AWEZNQCLSA-N 0 0 471.373 2.630 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c(C)c1 ZINC000020022170 555599612 /nfs/dbraw/zinc/59/96/12/555599612.db2.gz VBWSJVORCQCPEO-INIZCTEOSA-N 0 0 450.557 2.957 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(OC)c(OC)c2)c(C)c1 ZINC000020022741 555600628 /nfs/dbraw/zinc/60/06/28/555600628.db2.gz UFBISHLAHVKKDA-UHFFFAOYSA-N 0 0 450.557 2.738 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000020024593 555602583 /nfs/dbraw/zinc/60/25/83/555602583.db2.gz RQYPSFVEKFAPDI-QGZVFWFLSA-N 0 0 462.568 2.535 40 0 JFABRN COc1cccc(NC(=O)CSc2nnc(CNC(=O)/C=C/c3ccc(OC)c(OC)c3)n2C)c1 ZINC000010041123 555605625 /nfs/dbraw/zinc/60/56/25/555605625.db2.gz UMVVJEKQZVKAOZ-PKNBQFBNSA-N 0 0 497.577 2.901 40 0 JFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)CC1 ZINC000020037620 555611878 /nfs/dbraw/zinc/61/18/78/555611878.db2.gz XUUCATMZLAMBJG-UHFFFAOYSA-N 0 0 468.982 2.749 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000020083344 555631163 /nfs/dbraw/zinc/63/11/63/555631163.db2.gz AAMBKFHMLMUPAK-XMMPIXPASA-N 0 0 491.571 2.829 40 0 JFABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)NCc3ccccc3)n2C)cc1OC ZINC000010127253 555633479 /nfs/dbraw/zinc/63/34/79/555633479.db2.gz YCCFZVSVCIKYIE-ZRDIBKRKSA-N 0 0 481.578 2.570 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010128732 555634443 /nfs/dbraw/zinc/63/44/43/555634443.db2.gz FTABHRZICLXEPX-HXUWFJFHSA-N 0 0 493.994 2.516 40 0 JFABRN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c1 ZINC000013856029 555634518 /nfs/dbraw/zinc/63/45/18/555634518.db2.gz VPRJRFJUXAFIPY-ZWYOGTPXSA-N 0 0 491.496 2.671 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)NCc3ccccc3)cc2c1 ZINC000020109217 555644973 /nfs/dbraw/zinc/64/49/73/555644973.db2.gz TYYYTOWWDJMZPS-UHFFFAOYSA-N 0 0 464.566 2.971 40 0 JFABRN O=C(Nc1ccccc1F)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000020109252 555645305 /nfs/dbraw/zinc/64/53/05/555645305.db2.gz MUKOOHKITLDJSG-UHFFFAOYSA-N 0 0 482.512 2.805 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(OC)cc2OC)C1C(=O)c1ccc(Cl)cc1 ZINC000010231953 555655591 /nfs/dbraw/zinc/65/55/91/555655591.db2.gz AWLOJLBGLHUEBV-GOSISDBHSA-N 0 0 455.858 2.669 40 0 JFABRN CCOc1ccc(C(=O)C2C(C(=O)OC)=Nc3nnnn3[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000010232137 555656380 /nfs/dbraw/zinc/65/63/80/555656380.db2.gz LEIXGYVHMJWFKH-HXUWFJFHSA-N 0 0 465.466 2.501 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2cccc(Br)c2)C1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000010232268 555656708 /nfs/dbraw/zinc/65/67/08/555656708.db2.gz BGRNEOCYFAYJLE-MRXNPFEDSA-N 0 0 485.254 2.669 40 0 JFABRN COC(=O)[C@@]1(CCSC)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000020150772 555667436 /nfs/dbraw/zinc/66/74/36/555667436.db2.gz QGKJXAMFYPSPLC-QILISPFLSA-N 0 0 496.585 2.881 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000010283317 555673242 /nfs/dbraw/zinc/67/32/42/555673242.db2.gz SAZSPIORMRBLSE-UHFFFAOYSA-N 0 0 470.378 2.798 40 0 JFABRN C[C@H](NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)c1ccccc1 ZINC000010335961 555690996 /nfs/dbraw/zinc/69/09/96/555690996.db2.gz ADDNBMGUVWWISN-KRWDZBQOSA-N 0 0 458.584 2.635 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000010336625 555691555 /nfs/dbraw/zinc/69/15/55/555691555.db2.gz MIXRWRCDUQHMIP-CQSZACIVSA-N 0 0 483.974 2.518 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010338842 555693218 /nfs/dbraw/zinc/69/32/18/555693218.db2.gz VAUGTRMJTNVPRX-HNNXBMFYSA-N 0 0 467.975 2.818 40 0 JFABRN CCN1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000014135591 555703769 /nfs/dbraw/zinc/70/37/69/555703769.db2.gz NUTGRVFHXFUDAL-UHFFFAOYSA-N 0 0 494.455 2.847 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000010434114 555708873 /nfs/dbraw/zinc/70/88/73/555708873.db2.gz QLYTUJPXTBOYQJ-LBPRGKRZSA-N 0 0 498.941 2.715 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000010434115 555708886 /nfs/dbraw/zinc/70/88/86/555708886.db2.gz QLYTUJPXTBOYQJ-GFCCVEGCSA-N 0 0 498.941 2.715 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 ZINC000010447339 555713868 /nfs/dbraw/zinc/71/38/68/555713868.db2.gz QZNIIXUJWAYWJL-HNNXBMFYSA-N 0 0 462.524 2.736 40 0 JFABRN O=C(C[C@@H]1C(=O)NCCN1C(=O)C(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000014164516 555717663 /nfs/dbraw/zinc/71/76/63/555717663.db2.gz CXRPXBLQKIGIOE-AREMUKBSSA-N 0 0 496.611 2.884 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1I ZINC000010543863 555725749 /nfs/dbraw/zinc/72/57/49/555725749.db2.gz FHVRKBPNLJNPRT-UHFFFAOYSA-N 0 0 493.319 2.804 40 0 JFABRN Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(=O)(=O)N(C)C)c1 ZINC000020244917 555740920 /nfs/dbraw/zinc/74/09/20/555740920.db2.gz GYSXFCLYHCRYFL-UHFFFAOYSA-N 0 0 495.605 2.880 40 0 JFABRN Cn1c2c(c(=O)n(C)c1=O)n(Cc1ccc(Br)cc1)c1nnc(-c3ccccc3)n12 ZINC000010969581 555750415 /nfs/dbraw/zinc/75/04/15/555750415.db2.gz BMKFKTXYFSRRSK-UHFFFAOYSA-N 0 0 465.311 2.559 40 0 JFABRN COc1ccc(CCNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1OC ZINC000014291802 555793432 /nfs/dbraw/zinc/79/34/32/555793432.db2.gz SPZAJGTUNUMRPN-UHFFFAOYSA-N 0 0 462.568 2.860 40 0 JFABRN CCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000014397075 555802905 /nfs/dbraw/zinc/80/29/05/555802905.db2.gz ITNFYJHAGPMRGY-UHFFFAOYSA-N 0 0 479.986 2.616 40 0 JFABRN CN(Cc1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)S(C)(=O)=O ZINC000014400441 555805773 /nfs/dbraw/zinc/80/57/73/555805773.db2.gz HMXMYECISGIYLC-UHFFFAOYSA-N 0 0 474.320 2.700 40 0 JFABRN COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(OC(C)C)cc3)c(=O)n12 ZINC000020549902 555807006 /nfs/dbraw/zinc/80/70/06/555807006.db2.gz LSTRBEJFPJHQQQ-ZOPQSODPSA-N 0 0 464.543 2.646 40 0 JFABRN CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCCCC4)ccc3OCC)nn12 ZINC000021981421 555859195 /nfs/dbraw/zinc/85/91/95/555859195.db2.gz QAYHPAMSDMZXJB-UHFFFAOYSA-N 0 0 459.572 2.919 40 0 in-vitro JFABRN COc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000015137357 555880122 /nfs/dbraw/zinc/88/01/22/555880122.db2.gz CQKNLWHZIIUXRT-MRXNPFEDSA-N 0 0 466.531 2.569 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000015224747 555886436 /nfs/dbraw/zinc/88/64/36/555886436.db2.gz GZVLBSPZJZMEDJ-NWKGEQBZSA-N 0 0 495.601 2.771 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccccc2Br)cc1 ZINC000022228889 555887532 /nfs/dbraw/zinc/88/75/32/555887532.db2.gz MJLWMZUOOLFPTC-UHFFFAOYSA-N 0 0 482.400 2.777 40 0 JFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccc3OC)CC2)c1 ZINC000022230095 555888931 /nfs/dbraw/zinc/88/89/31/555888931.db2.gz LNENBENPQMCEDR-OAQYLSRUSA-N 0 0 473.595 2.514 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)COC)cc1Cl ZINC000022248263 555898707 /nfs/dbraw/zinc/89/87/07/555898707.db2.gz VTHKZQJDGDIBJR-KXBFYZLASA-N 0 0 454.976 2.779 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N(CC)CC)CC1 ZINC000022248855 555899212 /nfs/dbraw/zinc/89/92/12/555899212.db2.gz VZFHIFWHHRIDTP-UHFFFAOYSA-N 0 0 460.980 2.551 40 0 JFABRN COc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000015344525 555899687 /nfs/dbraw/zinc/89/96/87/555899687.db2.gz LGLPGUPXQKQLIK-UHFFFAOYSA-N 0 0 479.602 2.907 40 0 JFABRN CC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c1 ZINC000022250190 555900048 /nfs/dbraw/zinc/90/00/48/555900048.db2.gz VAGGPSOUOCXGKW-UHFFFAOYSA-N 0 0 452.916 2.581 40 0 JFABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)S(C)(=O)=O ZINC000022252290 555900865 /nfs/dbraw/zinc/90/08/65/555900865.db2.gz GEAHHOWORZUMMH-UHFFFAOYSA-N 0 0 496.538 2.546 40 0 JFABRN COC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1F)S(C)(=O)=O ZINC000022254710 555903201 /nfs/dbraw/zinc/90/32/01/555903201.db2.gz NSFSSIPQRCQEFQ-AWEZNQCLSA-N 0 0 454.520 2.574 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C(=O)N3CCOCC3)C2)cc1 ZINC000022258974 555906354 /nfs/dbraw/zinc/90/63/54/555906354.db2.gz OMMZRQXCCYEFTE-LJQANCHMSA-N 0 0 471.579 2.507 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1C ZINC000022268222 555906972 /nfs/dbraw/zinc/90/69/72/555906972.db2.gz ZRUPDOCLMWTABU-JOCHJYFZSA-N 0 0 453.564 2.995 40 0 JFABRN CN(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015638456 555921235 /nfs/dbraw/zinc/92/12/35/555921235.db2.gz HXDULDSRNBNUEM-MRXNPFEDSA-N 0 0 465.959 2.508 40 0 JFABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000015638791 555921411 /nfs/dbraw/zinc/92/14/11/555921411.db2.gz WTMHZALERNDVJB-LJQANCHMSA-N 0 0 489.569 2.774 40 0 JFABRN Cc1ccc(S(=O)(=O)Cc2noc([C@@H]3C[C@@H](O)CN3Cc3nc4ccccc4n3C)n2)cc1 ZINC000015674595 555933356 /nfs/dbraw/zinc/93/33/56/555933356.db2.gz WSQZZDMQKPIGTI-UZLBHIALSA-N 0 0 467.551 2.547 40 0 biogenic,in-vitro JFABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1S(=O)(=O)c1cccc2cccnc21 ZINC000015676415 555937580 /nfs/dbraw/zinc/93/75/80/555937580.db2.gz FBNPVWBVISTJTL-NRFANRHFSA-N 0 0 492.557 2.777 40 0 biogenic,in-vitro JFABRN CCCn1nc(C)c2c1nc(-c1cnn(C)c1C)cc2C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000022711929 555945957 /nfs/dbraw/zinc/94/59/57/555945957.db2.gz IKWSNIHECAJBCV-UHFFFAOYSA-N 0 0 475.601 2.550 40 0 JFABRN CCCN1CCN(C(=O)CSc2nnc(-c3ccc(I)cc3)o2)CC1 ZINC000022873746 555962920 /nfs/dbraw/zinc/96/29/20/555962920.db2.gz VWHXOAIWTWBDHE-UHFFFAOYSA-N 0 0 472.352 2.988 40 0 JFABRN COc1cc([C@@H](c2nnnn2C(C)(C)C)N2CCN(Cc3ccncc3)CC2)cc(OC)c1OC ZINC000022928729 555980145 /nfs/dbraw/zinc/98/01/45/555980145.db2.gz BRVZBUKYASAXKF-QFIPXVFZSA-N 0 0 481.601 2.756 40 0 JFABRN COc1cccc(Cn2nc3n(c2=O)c2cc(C(=O)NC(C)C)ccc2c(=O)n3CC(C)C)c1 ZINC000023126044 556014600 /nfs/dbraw/zinc/01/46/00/556014600.db2.gz UILAILCGUNJZPV-UHFFFAOYSA-N 0 0 463.538 2.662 40 0 JFABRN COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c1 ZINC000023132292 556019724 /nfs/dbraw/zinc/01/97/24/556019724.db2.gz QDAXZHFPVNHEDI-UHFFFAOYSA-N 0 0 464.540 2.760 40 0 JFABRN CCn1c(CCC(=O)O[C@@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012547312 556024044 /nfs/dbraw/zinc/02/40/44/556024044.db2.gz QPKUNUUQUWGHEC-BZSNNMDCSA-N 0 0 492.642 2.960 40 0 JFABRN COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)=C2)c1 ZINC000015860898 556032960 /nfs/dbraw/zinc/03/29/60/556032960.db2.gz HVOALKYGJTVGBI-WNSKOXEYSA-N 0 0 461.584 2.994 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1F)c1ccc(Cl)cc1Cl ZINC000023511033 556076355 /nfs/dbraw/zinc/07/63/55/556076355.db2.gz UBMTWQGFBQBNCW-UHFFFAOYSA-N 0 0 476.357 2.995 40 0 JFABRN Cc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)CC2)c1C ZINC000015964236 556093503 /nfs/dbraw/zinc/09/35/03/556093503.db2.gz ZUMZETZYWIETNS-UHFFFAOYSA-N 0 0 457.596 2.595 40 0 JFABRN Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000016019678 556113089 /nfs/dbraw/zinc/11/30/89/556113089.db2.gz AJWYGZLLEZIQFW-UHFFFAOYSA-N 0 0 468.579 2.832 40 0 JFABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 ZINC000016269670 556132014 /nfs/dbraw/zinc/13/20/14/556132014.db2.gz RWTWXDDDDDCRLM-UHFFFAOYSA-N 0 0 458.359 2.540 40 0 JFABRN CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000024846035 556160954 /nfs/dbraw/zinc/16/09/54/556160954.db2.gz ARVJHTFYDBWJDU-UHFFFAOYSA-N 0 0 465.597 2.511 40 0 JFABRN CC[C@@H](C)OC(=O)[C@@H](C)OC(=O)OCCOCCOC(=O)O[C@@H](C)C(=O)O[C@@H](C)CC ZINC000016891085 556172216 /nfs/dbraw/zinc/17/22/16/556172216.db2.gz ABXWTRBPSFPYRM-GEEKYZPCSA-N 0 0 450.481 2.770 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000016960423 556190930 /nfs/dbraw/zinc/19/09/30/556190930.db2.gz PHVBLXKNIVWTSF-UHFFFAOYSA-N 0 0 479.624 2.601 40 0 JFABRN O=S(=O)(c1ccc(F)cc1)N(c1cccc(-n2cnnn2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000017043990 556210407 /nfs/dbraw/zinc/21/04/07/556210407.db2.gz ZRNJVOOXKBXFOX-UHFFFAOYSA-N 0 0 477.474 2.525 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)C)c1cc(OC)ccc1OC ZINC000013029028 556223318 /nfs/dbraw/zinc/22/33/18/556223318.db2.gz JZODWFDHOXSPTD-QHCPKHFHSA-N 0 0 483.569 2.580 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1cccc(OC)c1 ZINC000013030362 556225669 /nfs/dbraw/zinc/22/56/69/556225669.db2.gz SIIFIQOFIPBWJB-XMMPIXPASA-N 0 0 467.570 2.819 40 0 JFABRN O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000025586771 556226721 /nfs/dbraw/zinc/22/67/21/556226721.db2.gz YKQHZSAJYPLRKJ-OAQYLSRUSA-N 0 0 492.041 2.889 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013032232 556230858 /nfs/dbraw/zinc/23/08/58/556230858.db2.gz MJYKLQWRWLIWOK-JOCHJYFZSA-N 0 0 453.543 2.658 40 0 JFABRN CCOc1ccc(N(CC(=O)N2CCN(CC)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000025767200 556233236 /nfs/dbraw/zinc/23/32/36/556233236.db2.gz HUKUXMNERCLKDT-UHFFFAOYSA-N 0 0 475.611 2.762 40 0 JFABRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)Oc2ccccc21 ZINC000026112722 556244133 /nfs/dbraw/zinc/24/41/33/556244133.db2.gz QZVTUARYVYZNKR-INIZCTEOSA-N 0 0 464.565 2.969 40 0 JFABRN CCS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)Oc2ccccc21 ZINC000026112917 556244152 /nfs/dbraw/zinc/24/41/52/556244152.db2.gz LNPCVBIEYYDMQG-HXUWFJFHSA-N 0 0 483.512 2.971 40 0 JFABRN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)CC1 ZINC000026119846 556248444 /nfs/dbraw/zinc/24/84/44/556248444.db2.gz ZKRBBSGNUUGMRC-UHFFFAOYSA-N 0 0 469.629 2.888 40 0 JFABRN O=C(CN1CCOCC1)Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1 ZINC000026440995 556253896 /nfs/dbraw/zinc/25/38/96/556253896.db2.gz IDFNVQVQVLHAEK-UHFFFAOYSA-N 0 0 484.603 2.832 40 0 JFABRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000026772100 556261160 /nfs/dbraw/zinc/26/11/60/556261160.db2.gz FESZYSFJGXZGNV-DHIUTWEWSA-N 0 0 483.590 2.920 40 0 JFABRN CCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1 ZINC000027408341 556278042 /nfs/dbraw/zinc/27/80/42/556278042.db2.gz PLVWMBFPIAQRHK-YADHBBJMSA-N 0 0 482.581 2.893 40 0 in-vitro JFABRN COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)[C@]1(C)CC(=O)N=C2C=CC(C)=CN21 ZINC000013083005 556278734 /nfs/dbraw/zinc/27/87/34/556278734.db2.gz ROYFQFWLSKPUGJ-VWLOTQADSA-N 0 0 450.539 2.950 40 0 JFABRN CCS(=O)(=O)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)CC1 ZINC000013083209 556279567 /nfs/dbraw/zinc/27/95/67/556279567.db2.gz GOLFUPCFNOIPGL-UHFFFAOYSA-N 0 0 471.370 2.811 40 0 JFABRN CCOc1ccc(NC(=O)N2CCC(NC(=O)[C@@H](Cc3ccccc3)NC(C)=O)CC2)cc1 ZINC000013084879 556282539 /nfs/dbraw/zinc/28/25/39/556282539.db2.gz KILXXCKFFJYGJB-HSZRJFAPSA-N 0 0 452.555 2.945 40 0 JFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccccc2OC)CC1 ZINC000013085277 556283502 /nfs/dbraw/zinc/28/35/02/556283502.db2.gz BRDBZZXMDXPYJU-OAQYLSRUSA-N 0 0 468.554 2.564 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(OC)c1 ZINC000013085338 556283843 /nfs/dbraw/zinc/28/38/43/556283843.db2.gz DNQXBALPGICNAX-HSZRJFAPSA-N 0 0 482.581 2.872 40 0 JFABRN CCN(CC)C(=O)COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1 ZINC000027564008 556297483 /nfs/dbraw/zinc/29/74/83/556297483.db2.gz BYFXNRUYKUSETD-JOCHJYFZSA-N 0 0 461.526 2.848 40 0 JFABRN CCN(CC)C(=O)COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1 ZINC000027564011 556297498 /nfs/dbraw/zinc/29/74/98/556297498.db2.gz BYFXNRUYKUSETD-QFIPXVFZSA-N 0 0 461.526 2.848 40 0 JFABRN COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(OC)c(Cl)c2)cc1C ZINC000028210004 556321144 /nfs/dbraw/zinc/32/11/44/556321144.db2.gz FJMWGAAODBTQQZ-INIZCTEOSA-N 0 0 452.916 2.984 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000019211246 556334171 /nfs/dbraw/zinc/33/41/71/556334171.db2.gz XLQDBYZNKXRGSL-UHFFFAOYSA-N 0 0 480.516 2.754 40 0 JFABRN CCOC(=O)c1sc2sc(C(=O)OCC)c(CN3CCOCC3)c2c1CN1CCOCC1 ZINC000019530682 556352581 /nfs/dbraw/zinc/35/25/81/556352581.db2.gz ZHOIIIQZHPFGKB-UHFFFAOYSA-N 0 0 482.624 2.981 40 0 JFABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000030848506 556376512 /nfs/dbraw/zinc/37/65/12/556376512.db2.gz LFPSYTVCKXPKBY-SFHVURJKSA-N 0 0 452.504 2.651 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000030856164 556380116 /nfs/dbraw/zinc/38/01/16/556380116.db2.gz LWRLEMSSLADMBX-QGZVFWFLSA-N 0 0 495.623 2.581 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1Cl ZINC000030856744 556380188 /nfs/dbraw/zinc/38/01/88/556380188.db2.gz ITAGYMVKZIOYPG-UHFFFAOYSA-N 0 0 457.911 2.907 40 0 JFABRN CC1=C[C@@H](CNS(=O)(=O)Cc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN1CCOCC1 ZINC000030879948 556386123 /nfs/dbraw/zinc/38/61/23/556386123.db2.gz FWYGXYNPFKFXSC-SDHOMARFSA-N 0 0 491.698 2.799 40 0 biogenic,in-vitro JFABRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000019818543 556386315 /nfs/dbraw/zinc/38/63/15/556386315.db2.gz UEMKWYLOCJIRMM-RTWAWAEBSA-N 0 0 483.521 2.911 40 0 JFABRN COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNS(=O)(=O)c2ccc(OC)cc2)C=C1C ZINC000030880491 556386455 /nfs/dbraw/zinc/38/64/55/556386455.db2.gz ASSIARRVJWUQBP-IPJJNNNSSA-N 0 0 452.617 2.981 40 0 biogenic,in-vitro JFABRN CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000019823004 556392821 /nfs/dbraw/zinc/39/28/21/556392821.db2.gz GNPXSNPTZPBESD-QFIPXVFZSA-N 0 0 472.655 2.668 40 0 JFABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NC[C@@H]3CCCO3)cc12 ZINC000019824182 556395064 /nfs/dbraw/zinc/39/50/64/556395064.db2.gz FIOPDOQCSNSZEN-NRFANRHFSA-N 0 0 472.655 2.723 40 0 JFABRN Cc1cc2cc(CN(C[C@H]3CCCO3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2cc1C ZINC000019824384 556395402 /nfs/dbraw/zinc/39/54/02/556395402.db2.gz XSUCBNYWTNVKHB-JOCHJYFZSA-N 0 0 472.655 2.723 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000019824780 556396045 /nfs/dbraw/zinc/39/60/45/556396045.db2.gz VJPZYIBAPVRFFR-UHFFFAOYSA-N 0 0 481.622 2.531 40 0 JFABRN COc1ccc2cc(CN(C(=S)NCCCN3CCOCC3)C3CCCC3)c(=O)[nH]c2c1 ZINC000019824760 556396087 /nfs/dbraw/zinc/39/60/87/556396087.db2.gz DOEYVCOITCHEMH-UHFFFAOYSA-N 0 0 458.628 2.878 40 0 JFABRN O=C(NCc1cccc(N2CCCC2=O)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000031778810 556403847 /nfs/dbraw/zinc/40/38/47/556403847.db2.gz BAXLPGCAXKVXLM-GOSISDBHSA-N 0 0 459.543 2.670 40 0 JFABRN CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000032125060 556428676 /nfs/dbraw/zinc/42/86/76/556428676.db2.gz DUEQETFPMPRXGK-UHFFFAOYSA-N 0 0 452.989 2.548 40 0 JFABRN CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000032125350 556429569 /nfs/dbraw/zinc/42/95/69/556429569.db2.gz CBJPUGYLOWINDT-UHFFFAOYSA-N 0 0 452.989 2.548 40 0 JFABRN CCc1ccccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1OC ZINC000032640024 556459821 /nfs/dbraw/zinc/45/98/21/556459821.db2.gz YPFZEXGVYMKZCW-PKOBYXMFSA-N 0 0 459.593 2.971 40 0 JFABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000225389275 560043983 /nfs/dbraw/zinc/04/39/83/560043983.db2.gz CHIJPJYEXDELHX-UXHICEINSA-N 0 0 493.913 2.917 40 0 biogenic,in-vitro JFABRN COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)Nc3cccnc3)CN(C)C(=O)C2)cc1 ZINC000096113378 560060501 /nfs/dbraw/zinc/06/05/01/560060501.db2.gz MBODMBLUACXMIO-UYAOXDASSA-N 0 0 453.543 2.545 40 0 biogenic,in-vitro JFABRN COc1c2c(c(C)c3c1C[C@@H]1[C@@](C)(C[C@H](O)[C@@]4(O)[C@]1(C)CCC(=O)OC4(C)C)O3)COC2=O ZINC000035455485 560081228 /nfs/dbraw/zinc/08/12/28/560081228.db2.gz ZVTVYIVILDSYIK-JZYSMAKSSA-N 0 0 460.523 2.601 40 0 biogenic,in-vitro JFABRN COc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1 ZINC000008666912 562948969 /nfs/dbraw/zinc/94/89/69/562948969.db2.gz ANNBSFWLDYRPAN-HSZRJFAPSA-N 0 0 460.538 2.724 40 0 JFABRN CC(C)[C@H](C)C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000044146230 563171801 /nfs/dbraw/zinc/17/18/01/563171801.db2.gz KQBCIGPPRFLKLS-GNTNVKQKSA-N 0 0 478.670 2.985 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cc(OC)c(OC)cc3[nH]c2=O)CC1 ZINC000053213671 563205208 /nfs/dbraw/zinc/20/52/08/563205208.db2.gz UIXJVBFZYNXVCE-OAQYLSRUSA-N 0 0 498.584 2.651 40 0 JFABRN COCCCn1c2nnc(SCc3cccc(S(=O)(=O)N(C)C)c3)n2c2ccccc2c1=O ZINC000008721370 569598523 /nfs/dbraw/zinc/59/85/23/569598523.db2.gz YKMYBQCJKMMWDH-UHFFFAOYSA-N 0 0 487.607 2.623 40 0 JFABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 ZINC000033400045 569625708 /nfs/dbraw/zinc/62/57/08/569625708.db2.gz JCINFNCKHCEBNB-LJQANCHMSA-N 0 0 469.567 2.635 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OC)cc3Br)C2=O)o1 ZINC000033467169 569626652 /nfs/dbraw/zinc/62/66/52/569626652.db2.gz ZWMRJXZZWKIMNT-MLPAPPSSSA-N 0 0 465.256 2.939 40 0 JFABRN CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2C)CC1 ZINC000033620602 569628982 /nfs/dbraw/zinc/62/89/82/569628982.db2.gz AONQZQGZUSXJDX-UHFFFAOYSA-N 0 0 475.567 2.784 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC#N)c([N+](=O)[O-])c3)C2=O)o1 ZINC000033655130 569629750 /nfs/dbraw/zinc/62/97/50/569629750.db2.gz GOTOVEXFRBFFAN-QPEQYQDCSA-N 0 0 460.786 2.623 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(I)cc2)cc1OC ZINC000033731187 569632468 /nfs/dbraw/zinc/63/24/68/569632468.db2.gz IOEJJWXJVVQEQD-NSHDSACASA-N 0 0 490.319 2.614 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3OC(C)=O)C2=O)o1 ZINC000033735602 569632777 /nfs/dbraw/zinc/63/27/77/569632777.db2.gz YVXBBCMFCFVULK-ZSOIEALJSA-N 0 0 463.240 2.847 40 0 JFABRN COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000033936726 569638247 /nfs/dbraw/zinc/63/82/47/569638247.db2.gz VKLWKOGMBGLIPL-ZJSXRUAMSA-N 0 0 472.549 2.850 40 0 JFABRN CC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937060 569638468 /nfs/dbraw/zinc/63/84/68/569638468.db2.gz YTMFZPDRPPWYBJ-DENIHFKCSA-N 0 0 454.575 2.646 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccnc4)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@]2(C)O4)no1 ZINC000033939914 569639227 /nfs/dbraw/zinc/63/92/27/569639227.db2.gz PQVKFZZNNTYWGG-VGSDRZRQSA-N 0 0 491.548 2.511 40 0 JFABRN Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)N(c4cccnc4)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@]2(C)O4)no1 ZINC000033939916 569639246 /nfs/dbraw/zinc/63/92/46/569639246.db2.gz PQVKFZZNNTYWGG-JPJDGNMPSA-N 0 0 491.548 2.511 40 0 JFABRN COc1ccc(CNC(=O)[C@@H]2[C@@H]3C(=O)N(CCC(C)C)[C@H](C(=O)NC(C)(C)C)[C@]34C=C[C@@]2(C)O4)cc1 ZINC000033939997 569639343 /nfs/dbraw/zinc/63/93/43/569639343.db2.gz LXOPWKWDGZDGIV-BCYBXAMJSA-N 0 0 497.636 2.813 40 0 JFABRN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 ZINC000034695701 569647482 /nfs/dbraw/zinc/64/74/82/569647482.db2.gz BVRSMDQKYFDPMX-HNNXBMFYSA-N 0 0 462.524 2.530 40 0 JFABRN C#CCOc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-] ZINC000034807190 569661239 /nfs/dbraw/zinc/66/12/39/569661239.db2.gz XHTNUXUMZPJNAP-ZSOIEALJSA-N 0 0 459.798 2.733 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(O[C@H](C)C(=O)OC)c(OC)c3)C2=O)o1 ZINC000034846591 569666873 /nfs/dbraw/zinc/66/68/73/569666873.db2.gz DRXIRCLPYJMCNN-SHLUWWQESA-N 0 0 492.868 2.761 40 0 JFABRN CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000034896829 569669545 /nfs/dbraw/zinc/66/95/45/569669545.db2.gz UQZPBBYCGKDJGS-IBGZPJMESA-N 0 0 485.566 2.509 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC#N)c(OC)c3)C2=O)o1 ZINC000035060342 569674091 /nfs/dbraw/zinc/67/40/91/569674091.db2.gz NZNDVPKRXHJBNR-ZSOIEALJSA-N 0 0 490.266 2.833 40 0 JFABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)c1 ZINC000035169481 569677250 /nfs/dbraw/zinc/67/72/50/569677250.db2.gz LNFBGFAAPNQPBF-UHFFFAOYSA-N 0 0 489.575 2.769 40 0 JFABRN CC[C@@H](C)[C@H](NC(=O)[C@H]1N=C(c2csc([C@H](O)Cc3ccccc3)n2)O[C@H]1C)C(=O)OC ZINC000035198577 569678096 /nfs/dbraw/zinc/67/80/96/569678096.db2.gz YHXNIADCBNGDJB-AJVNXVRISA-N 0 0 459.568 2.657 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCCN4CCOCC4)o3)cc2)cc1 ZINC000035315156 569680493 /nfs/dbraw/zinc/68/04/93/569680493.db2.gz ZGPMDAZDNQGQFM-UHFFFAOYSA-N 0 0 476.580 2.970 40 0 JFABRN COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)=C2)c1 ZINC000035339825 569681317 /nfs/dbraw/zinc/68/13/17/569681317.db2.gz HVOALKYGJTVGBI-IQMFZBJNSA-N 0 0 461.584 2.994 40 0 JFABRN CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@@H]1CC(=O)NC1=O ZINC000079670069 569707744 /nfs/dbraw/zinc/70/77/44/569707744.db2.gz PXWUZEMOQXMNKP-LEWJYISDSA-N 0 0 480.517 2.667 40 0 JFABRN C[C@H](OC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)[C@H](O)CO ZINC000081990573 569707968 /nfs/dbraw/zinc/70/79/68/569707968.db2.gz LGJUQORSIRVXFT-MTNREXPMSA-N 0 0 459.539 2.986 40 0 JFABRN COc1ccc2c(c1OC)C(=O)N1CCc3c(Br)c(OC)c4c(c3[C@H]1[C@H]2O)OCO4 ZINC000095470469 569723326 /nfs/dbraw/zinc/72/33/26/569723326.db2.gz KXRBFODKEMDLDG-HOTGVXAUSA-N 0 0 478.295 2.990 40 0 JFABRN Cc1cc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCC3)cc2c1 ZINC000095549333 569727402 /nfs/dbraw/zinc/72/74/02/569727402.db2.gz YFPWPUREQSOGPG-UHFFFAOYSA-N 0 0 479.629 2.971 40 0 JFABRN CC(C)n1cnc([C@H]2CN(C(=O)c3ccccn3)c3ccc(C(=O)N4CCC(O)CC4)cc32)n1 ZINC000096156424 569736755 /nfs/dbraw/zinc/73/67/55/569736755.db2.gz CEJNGBHRJYBZMT-FQEVSTJZSA-N 0 0 460.538 2.643 40 0 JFABRN CN1CCN(Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccccc3)cn21 ZINC000096156657 569736935 /nfs/dbraw/zinc/73/69/35/569736935.db2.gz ULKLHWBBWRPFIU-HSZRJFAPSA-N 0 0 455.566 2.586 40 0 JFABRN COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)S1(=O)=O ZINC000036015041 569748998 /nfs/dbraw/zinc/74/89/98/569748998.db2.gz DGCPWCDNTJYODP-BRSBDYLESA-N 0 0 472.346 2.877 40 0 JFABRN CC(C)C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000036253166 569758592 /nfs/dbraw/zinc/75/85/92/569758592.db2.gz NMJJOECAJJFSQG-YSHGAJCASA-N 0 0 470.522 2.694 40 0 JFABRN CCOC(=O)[C@]1(C)N[C@@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000100422268 569760012 /nfs/dbraw/zinc/76/00/12/569760012.db2.gz DSWHZCCDFZIMPG-OYSWMMLKSA-N 0 0 480.517 2.678 40 0 JFABRN O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000036316812 569763255 /nfs/dbraw/zinc/76/32/55/569763255.db2.gz XALPIEUAGSBEOC-UHFFFAOYSA-N 0 0 469.673 2.937 40 0 JFABRN O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000036316813 569763277 /nfs/dbraw/zinc/76/32/77/569763277.db2.gz WDTJBJVEGNBCGA-UHFFFAOYSA-N 0 0 455.646 2.547 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@H]2C(=O)N2[C@H]4[C@H](C)C(=O)C[C@@H]2c2ccco2)c1 ZINC000036369733 569773206 /nfs/dbraw/zinc/77/32/06/569773206.db2.gz NSUJNRIEBKWESB-ZQUNXEFBSA-N 0 0 490.512 2.896 40 0 JFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)N(c1ccccc1)S(C)(=O)=O ZINC000037021541 569781172 /nfs/dbraw/zinc/78/11/72/569781172.db2.gz GQBPJTWMXUGFHG-WIYYLYMNSA-N 0 0 459.568 2.779 40 0 JFABRN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H](C(=O)NC[C@@H]3CCCO3)C(C)C)CC2)cc1 ZINC000101445648 569797653 /nfs/dbraw/zinc/79/76/53/569797653.db2.gz HLDFAXNGOPGCDK-OQLXKQOESA-N 0 0 493.670 2.516 40 0 JFABRN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H](C)C(=O)N3CCCCCC3)CC2)cc1 ZINC000101467856 569798742 /nfs/dbraw/zinc/79/87/42/569798742.db2.gz TZDRWUXDKQLKII-SLFFLAALSA-N 0 0 479.643 2.687 40 0 JFABRN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)NCCc1ccccc1 ZINC000101474405 569799010 /nfs/dbraw/zinc/79/90/10/569799010.db2.gz XXAWSOFFDCTZEI-BGYRXZFFSA-N 0 0 492.041 2.900 40 0 JFABRN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)Nc1cccc(F)c1 ZINC000101477475 569799130 /nfs/dbraw/zinc/79/91/30/569799130.db2.gz MRMHTIXYKMIPPV-IYBDPMFKSA-N 0 0 465.522 2.804 40 0 JFABRN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000101484095 569799401 /nfs/dbraw/zinc/79/94/01/569799401.db2.gz NRKBAQAQGMKBGE-IYBDPMFKSA-N 0 0 465.522 2.804 40 0 JFABRN Cc1cc(Br)ccc1NC(=O)COc1ccccc1[C@H]1CC(=O)N=C2NC=NN21 ZINC000038206683 569800932 /nfs/dbraw/zinc/80/09/32/569800932.db2.gz ZBOLUPCMFUIHEL-MRXNPFEDSA-N 0 0 456.300 2.951 40 0 JFABRN O=C(COc1ccc([C@@H]2CC(=O)N=C3NC=NN32)cc1)Nc1ccc(Br)cc1F ZINC000038282594 569801285 /nfs/dbraw/zinc/80/12/85/569801285.db2.gz QJLJHJKCYNLRMU-INIZCTEOSA-N 0 0 460.263 2.782 40 0 JFABRN Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 ZINC000101835322 569805794 /nfs/dbraw/zinc/80/57/94/569805794.db2.gz PLWFVNSCITZZHF-OCEACIFDSA-N 0 0 474.542 2.796 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1Cl ZINC000038753466 569806548 /nfs/dbraw/zinc/80/65/48/569806548.db2.gz IIUOFRWZFSETED-UHFFFAOYSA-N 0 0 482.942 2.799 40 0 JFABRN CCN1C(=O)C(=Cc2cn(CC(=O)NC[C@@H]3CCCO3)c3ccc(Br)cc23)NC1=S ZINC000039556751 569810725 /nfs/dbraw/zinc/81/07/25/569810725.db2.gz HFZPDOZIGYBASO-QTISIFFUSA-N 0 0 491.411 2.777 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(Cc3ccccc3)CC2)cc1C ZINC000039986258 569813151 /nfs/dbraw/zinc/81/31/51/569813151.db2.gz QNWSJHDZFOEHIQ-UHFFFAOYSA-N 0 0 459.612 2.749 40 0 JFABRN CCN1CCN(C(=O)c2nnc3c(-c4ccc(Br)cc4)c(COC)nn3c2C)CC1 ZINC000040372551 569824166 /nfs/dbraw/zinc/82/41/66/569824166.db2.gz QSJCKCOPBAEIOY-UHFFFAOYSA-N 0 0 473.375 2.786 40 0 JFABRN CCOC(=O)C1CCN(c2nc3ncc4c(c3c(=O)[nH]2)C[C@H](c2ccccc2O)CC4=O)CC1 ZINC000040372931 569824278 /nfs/dbraw/zinc/82/42/78/569824278.db2.gz QLDGVBPNOCNEJZ-HNNXBMFYSA-N 0 0 462.506 2.716 40 0 JFABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC(=O)N3)C1 ZINC000040388821 569824698 /nfs/dbraw/zinc/82/46/98/569824698.db2.gz IHEWOQODZMQRBP-FZMZJTMJSA-N 0 0 465.432 2.969 40 0 JFABRN C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 ZINC000040389012 569824718 /nfs/dbraw/zinc/82/47/18/569824718.db2.gz NFSBORBXHQFVKS-RISCZKNCSA-N 0 0 460.332 2.976 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 ZINC000040399655 569826844 /nfs/dbraw/zinc/82/68/44/569826844.db2.gz CZABJDVOPQDMJF-MRXNPFEDSA-N 0 0 465.441 2.894 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[nH]c(=O)c32)cc1 ZINC000040399851 569826858 /nfs/dbraw/zinc/82/68/58/569826858.db2.gz ZTGRSDCUWSNTAJ-KRWDZBQOSA-N 0 0 477.477 2.763 40 0 JFABRN Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000103088384 569832749 /nfs/dbraw/zinc/83/27/49/569832749.db2.gz JTCHJFDYRGHTST-DPQBTTMVSA-N 0 0 463.515 2.562 40 0 JFABRN Cc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)cc2=O)s1 ZINC000041076596 569835107 /nfs/dbraw/zinc/83/51/07/569835107.db2.gz MPRYSKLQOJKQRV-UHFFFAOYSA-N 0 0 464.459 2.797 40 0 JFABRN COCCN1C(=O)[C@H]2[C@H]3C=Cc4cc(Br)ccc4N3[C@@H](C(=O)C(C)(C)C)[C@@H]2C1=O ZINC000103461380 569835222 /nfs/dbraw/zinc/83/52/22/569835222.db2.gz PUVVJEGYMVFOQC-XMTFNYHQSA-N 0 0 461.356 2.896 40 0 JFABRN CN(C)N1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2CC2=C3C(=O)N(c4ccccc4)C(=O)[C@@H]3CCC21 ZINC000103545854 569836072 /nfs/dbraw/zinc/83/60/72/569836072.db2.gz NFCKRYWZLMFVMG-WENLIBGGSA-N 0 0 470.529 2.581 40 0 JFABRN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)[C@]2(C[C@@]1(C)O)NNC(=S)N2 ZINC000105106648 569852727 /nfs/dbraw/zinc/85/27/27/569852727.db2.gz JLEORZPEHVPALO-SNJHDSHBSA-N 0 0 477.627 2.519 40 0 JFABRN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)[C@@]2(C[C@@]1(C)O)NNC(=S)N2 ZINC000105106653 569852743 /nfs/dbraw/zinc/85/27/43/569852743.db2.gz JLEORZPEHVPALO-YSWUJHBYSA-N 0 0 477.627 2.519 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2)cc1 ZINC000106222609 569853891 /nfs/dbraw/zinc/85/38/91/569853891.db2.gz SLJJJPKPUAGHME-UHFFFAOYSA-N 0 0 459.568 2.873 40 0 JFABRN Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 ZINC000106709571 569854982 /nfs/dbraw/zinc/85/49/82/569854982.db2.gz RVCCTCRSHYLVPQ-STZFKDTASA-N 0 0 495.557 2.908 40 0 JFABRN CCOc1ccccc1NC(=O)CSc1nnc([C@@H](CO)NC(=O)c2ccc(OC)cc2)n1CC ZINC000107783993 569857429 /nfs/dbraw/zinc/85/74/29/569857429.db2.gz XXJSKDVINRRDGA-LJQANCHMSA-N 0 0 499.593 2.900 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3OC)C2=O)o1 ZINC000108120438 569858704 /nfs/dbraw/zinc/85/87/04/569858704.db2.gz ZLRDUBTVHVHACD-NTUHNPAUSA-N 0 0 465.256 2.939 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC(=O)c4ccco4)c(OC)c3)C2=O)o1 ZINC000108976762 569860097 /nfs/dbraw/zinc/86/00/97/569860097.db2.gz FMBCDKNIAQLYRF-GDNBJRDFSA-N 0 0 466.402 2.980 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000111909877 569861079 /nfs/dbraw/zinc/86/10/79/569861079.db2.gz GYQFBRSBXMYALW-JZVSFUAJSA-N 0 0 468.918 2.790 40 0 JFABRN Cc1c(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000113967823 569862726 /nfs/dbraw/zinc/86/27/26/569862726.db2.gz HTOAOZAKXOYXKH-UHFFFAOYSA-N 0 0 456.568 2.978 40 0 JFABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)C(C)=O)[C@@H]3C[C@H](OC(C)=O)[C@@]2(O)C1 ZINC000123433556 569864428 /nfs/dbraw/zinc/86/44/28/569864428.db2.gz CCRRWNAJAQSPHF-DTTUEAHHSA-N 0 0 450.572 2.937 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)C(C)C)cc1 ZINC000136545510 569864714 /nfs/dbraw/zinc/86/47/14/569864714.db2.gz KGYPPVDOMZQOPY-IXFSTUDKSA-N 0 0 465.554 2.599 40 0 JFABRN COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)CC1=O ZINC000138699997 569866217 /nfs/dbraw/zinc/86/62/17/569866217.db2.gz SVTGINPYYLEQJE-CQSZACIVSA-N 0 0 459.886 2.842 40 0 JFABRN Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1 ZINC000138705924 569866283 /nfs/dbraw/zinc/86/62/83/569866283.db2.gz YJWXYBYZKGEYOK-MRXNPFEDSA-N 0 0 488.338 2.741 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)c(OC)c1 ZINC000139038356 569866868 /nfs/dbraw/zinc/86/68/68/569866868.db2.gz RAFAZPZYXNWPHQ-KRWDZBQOSA-N 0 0 497.548 2.677 40 0 JFABRN COc1ccccc1C(=O)Oc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 ZINC000139024720 569866884 /nfs/dbraw/zinc/86/68/84/569866884.db2.gz XQVSZVYPWDNZBG-UEASHEQUSA-N 0 0 450.443 2.838 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[nH]c(=O)c32)cc1 ZINC000139108740 569867106 /nfs/dbraw/zinc/86/71/06/569867106.db2.gz VGKIJSAOHFWQPI-IAGOWNOFSA-N 0 0 467.526 2.780 40 0 JFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N2 ZINC000139109028 569867159 /nfs/dbraw/zinc/86/71/59/569867159.db2.gz VUUKDJYRWFNEFB-IAGOWNOFSA-N 0 0 452.515 2.562 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000144204323 569867673 /nfs/dbraw/zinc/86/76/73/569867673.db2.gz QIQUFRSVAJWSDO-UHFFFAOYSA-N 0 0 483.546 2.945 40 0 JFABRN CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O[C@H](C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000195530313 569873587 /nfs/dbraw/zinc/87/35/87/569873587.db2.gz FRWLGKIXKPDFOZ-OEUWWYETSA-N 0 0 495.425 2.864 40 0 JFABRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)C1=O ZINC000205697043 569874200 /nfs/dbraw/zinc/87/42/00/569874200.db2.gz DMENFWPTADBGPF-RIYZIHGNSA-N 0 0 457.888 2.890 40 0 JFABRN CNC(=O)c1cccc(-c2ccc3c(n2)nc(N2CCOC[C@H]2C)nc3N2CCOC[C@H]2C)c1 ZINC000208949769 569875921 /nfs/dbraw/zinc/87/59/21/569875921.db2.gz JUSFANSTBFGBAF-IAGOWNOFSA-N 0 0 462.554 2.502 40 0 JFABRN COc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000216271589 569878067 /nfs/dbraw/zinc/87/80/67/569878067.db2.gz ZKYLQSBJKHFLLL-KRWDZBQOSA-N 0 0 464.559 2.960 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000216342626 569878415 /nfs/dbraw/zinc/87/84/15/569878415.db2.gz RFNLRQPCPTZQAE-UHFFFAOYSA-N 0 0 450.513 2.758 40 0 JFABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 ZINC000216414394 569878748 /nfs/dbraw/zinc/87/87/48/569878748.db2.gz WPBDGEWVXVNGCK-UHFFFAOYSA-N 0 0 452.916 2.541 40 0 JFABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000216472987 569879083 /nfs/dbraw/zinc/87/90/83/569879083.db2.gz LTYDFDFWBWACMY-UHFFFAOYSA-N 0 0 457.961 2.748 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)c(C)c1 ZINC000216475009 569879089 /nfs/dbraw/zinc/87/90/89/569879089.db2.gz ZGRHKHMJHYBOIU-SFHVURJKSA-N 0 0 494.639 2.561 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000222371281 569883960 /nfs/dbraw/zinc/88/39/60/569883960.db2.gz VLWOAJCLSNRFLX-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222392998 569884100 /nfs/dbraw/zinc/88/41/00/569884100.db2.gz GRQDMXGCTUBTJW-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222415738 569884196 /nfs/dbraw/zinc/88/41/96/569884196.db2.gz OZQYMCYBILBWTD-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222461937 569884418 /nfs/dbraw/zinc/88/44/18/569884418.db2.gz BWAKOUFSRNZGAL-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222461239 569884430 /nfs/dbraw/zinc/88/44/30/569884430.db2.gz ABIQKKOEUIKBLP-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222461702 569884432 /nfs/dbraw/zinc/88/44/32/569884432.db2.gz GXZPQEKANNUNKF-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222461853 569884444 /nfs/dbraw/zinc/88/44/44/569884444.db2.gz DSGNFFSCYZRPSG-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000222460684 569884457 /nfs/dbraw/zinc/88/44/57/569884457.db2.gz OYRGQHAWWAWVDI-INIZCTEOSA-N 0 0 485.528 2.943 40 0 JFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222507699 569885065 /nfs/dbraw/zinc/88/50/65/569885065.db2.gz SRVFKNSGQNXHPV-DEOSSOPVSA-N 0 0 497.592 2.978 40 0 JFABRN Cc1ccc(CN(CC(=O)Nc2ccc(I)cc2)S(C)(=O)=O)cc1 ZINC000222548285 569885542 /nfs/dbraw/zinc/88/55/42/569885542.db2.gz FRSBROAYQMGXGS-UHFFFAOYSA-N 0 0 458.321 3.000 40 0 JFABRN Cc1nc(SCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)n[nH]1 ZINC000222552824 569885725 /nfs/dbraw/zinc/88/57/25/569885725.db2.gz AGJSCZKDAMNMBP-SFHVURJKSA-N 0 0 459.597 2.576 40 0 JFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222557346 569885824 /nfs/dbraw/zinc/88/58/24/569885824.db2.gz ZJCIZPDXICGNTG-XMMPIXPASA-N 0 0 497.592 2.978 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222565944 569885893 /nfs/dbraw/zinc/88/58/93/569885893.db2.gz FTFZGDUHOHSWSP-ZDUSSCGKSA-N 0 0 473.929 2.548 40 0 JFABRN O=C(Nc1nnc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)s1)c1ccccc1 ZINC000222590415 569886516 /nfs/dbraw/zinc/88/65/16/569886516.db2.gz OMCLBOMGULMNKO-UHFFFAOYSA-N 0 0 463.972 2.955 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222604551 569886842 /nfs/dbraw/zinc/88/68/42/569886842.db2.gz XCWTVPKNMFOJDX-OAHLLOKOSA-N 0 0 469.966 2.717 40 0 JFABRN CCS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)CC1 ZINC000222611323 569886925 /nfs/dbraw/zinc/88/69/25/569886925.db2.gz YWCNDUZLLZAPAC-UHFFFAOYSA-N 0 0 471.579 2.898 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)CCc3cc(S(=O)(=O)N(C)C)ccc3OC)n2)c1 ZINC000222610753 569886937 /nfs/dbraw/zinc/88/69/37/569886937.db2.gz JFSCTJWQZQAJTO-UHFFFAOYSA-N 0 0 488.566 2.595 40 0 JFABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000222615350 569887034 /nfs/dbraw/zinc/88/70/34/569887034.db2.gz ZNSXVHRHVGPDGW-UHFFFAOYSA-N 0 0 473.595 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000222624028 569887178 /nfs/dbraw/zinc/88/71/78/569887178.db2.gz CIVSQFWUCLYNMR-KRWDZBQOSA-N 0 0 463.575 2.878 40 0 JFABRN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3nc(-c4ccccc4)no3)s2)cc1 ZINC000222626611 569887267 /nfs/dbraw/zinc/88/72/67/569887267.db2.gz HTOCSAXFCRCXMT-UHFFFAOYSA-N 0 0 470.536 2.970 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c2ccccc2O1 ZINC000222628486 569887321 /nfs/dbraw/zinc/88/73/21/569887321.db2.gz IAFPOHCAWXDEIK-QFIPXVFZSA-N 0 0 488.562 2.644 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222627995 569887328 /nfs/dbraw/zinc/88/73/28/569887328.db2.gz BWFJJOLOWLMRCD-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN COC(=O)c1cn(C(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c2ccccc12 ZINC000222631678 569887422 /nfs/dbraw/zinc/88/74/22/569887422.db2.gz GWNAJZYOPXATOM-AWEZNQCLSA-N 0 0 460.508 2.940 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1nnc(SCc2ccccc2)s1)c1ccc2c(c1)OCO2 ZINC000222639955 569887561 /nfs/dbraw/zinc/88/75/61/569887561.db2.gz BVPIXQDJACYXEX-UHFFFAOYSA-N 0 0 478.577 2.964 40 0 JFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000222660377 569887919 /nfs/dbraw/zinc/88/79/19/569887919.db2.gz VFSCMINAODPYAZ-MRXNPFEDSA-N 0 0 489.623 2.836 40 0 JFABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(N)=O)cc2)cc1 ZINC000222670551 569888129 /nfs/dbraw/zinc/88/81/29/569888129.db2.gz NUOCMLWZGTWJDT-UHFFFAOYSA-N 0 0 467.547 2.553 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000222678798 569888322 /nfs/dbraw/zinc/88/83/22/569888322.db2.gz LBZDPEPIKMXRAH-UHFFFAOYSA-N 0 0 489.575 2.721 40 0 JFABRN Cc1ccccc1CN(C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@H](C)C(=O)NC(C)(C)C ZINC000222702511 569888975 /nfs/dbraw/zinc/88/89/75/569888975.db2.gz SKSJJDINAOCJDH-NRSPTQNISA-N 0 0 453.583 2.968 40 0 JFABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1C(=O)N1CCOCC1 ZINC000222704422 569889043 /nfs/dbraw/zinc/88/90/43/569889043.db2.gz YUXUAXJEMSRUEH-HNNXBMFYSA-N 0 0 478.592 2.692 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222719585 569889498 /nfs/dbraw/zinc/88/94/98/569889498.db2.gz VIZMPOCEENNCTC-CWRNSKLLSA-N 0 0 466.365 2.798 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC ZINC000222724373 569889594 /nfs/dbraw/zinc/88/95/94/569889594.db2.gz WCVSBMMUPNYQAX-GJZGRUSLSA-N 0 0 464.540 2.507 40 0 JFABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000222734843 569889834 /nfs/dbraw/zinc/88/98/34/569889834.db2.gz DOQYNCLHUPYLTN-MRXNPFEDSA-N 0 0 451.976 2.852 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1 ZINC000222742066 569890076 /nfs/dbraw/zinc/89/00/76/569890076.db2.gz AXSAIAIRKPFKDY-CQSZACIVSA-N 0 0 483.384 2.730 40 0 JFABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC)cc1 ZINC000222790787 569891175 /nfs/dbraw/zinc/89/11/75/569891175.db2.gz HVNVNCFMSFAMBQ-INIZCTEOSA-N 0 0 466.003 2.734 40 0 JFABRN C[C@H](C(=O)NCc1ccccc1Cl)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222817123 569891854 /nfs/dbraw/zinc/89/18/54/569891854.db2.gz SKVWMIHJJKHJGS-OAHLLOKOSA-N 0 0 486.421 2.918 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222818924 569891904 /nfs/dbraw/zinc/89/19/04/569891904.db2.gz BUXCDMGDCLRGDG-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000222840443 569892379 /nfs/dbraw/zinc/89/23/79/569892379.db2.gz KNHQEDVCDYDQNU-SFHVURJKSA-N 0 0 475.611 2.748 40 0 JFABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)c(Cl)c1 ZINC000222842341 569892438 /nfs/dbraw/zinc/89/24/38/569892438.db2.gz WSNUBUMGKYEPAK-HXUWFJFHSA-N 0 0 496.969 2.764 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000222862773 569892954 /nfs/dbraw/zinc/89/29/54/569892954.db2.gz YSZXYJSMGVYDLD-SFHVURJKSA-N 0 0 475.611 2.748 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222865477 569893010 /nfs/dbraw/zinc/89/30/10/569893010.db2.gz UQKXUBRWFFEJMT-SFHVURJKSA-N 0 0 483.590 2.632 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222866217 569893088 /nfs/dbraw/zinc/89/30/88/569893088.db2.gz OQDAHOOFXVFYMP-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(CCC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000222881123 569893412 /nfs/dbraw/zinc/89/34/12/569893412.db2.gz BETOZNHPSJTJOS-UHFFFAOYSA-N 0 0 459.597 2.563 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)cc1 ZINC000222884987 569893495 /nfs/dbraw/zinc/89/34/95/569893495.db2.gz YAWUCBOJDZFENU-NRFANRHFSA-N 0 0 460.552 2.617 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222887447 569893617 /nfs/dbraw/zinc/89/36/17/569893617.db2.gz FSUWQULBOVMFLV-BHIFYINESA-N 0 0 469.582 2.668 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000222890341 569893677 /nfs/dbraw/zinc/89/36/77/569893677.db2.gz NZWHCALWTBUENL-UHFFFAOYSA-N 0 0 479.624 2.649 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222891189 569893746 /nfs/dbraw/zinc/89/37/46/569893746.db2.gz YAMLAHONTCODOD-QGZVFWFLSA-N 0 0 466.003 2.620 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000222901920 569893954 /nfs/dbraw/zinc/89/39/54/569893954.db2.gz AZOBALBMKXFUEV-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN COc1ccc(C(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1S(=O)(=O)N1CCCC1 ZINC000222903983 569893991 /nfs/dbraw/zinc/89/39/91/569893991.db2.gz ONVNMVSDIAITSE-UHFFFAOYSA-N 0 0 478.567 2.778 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222905643 569894033 /nfs/dbraw/zinc/89/40/33/569894033.db2.gz JDYDDTVBTJWKNH-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC)S(C)(=O)=O ZINC000222914057 569894197 /nfs/dbraw/zinc/89/41/97/569894197.db2.gz PTWDBIQXAKPGMB-FQEVSTJZSA-N 0 0 489.638 2.837 40 0 JFABRN CCOc1ccc(-c2noc(CN(C)C(=O)CN(Cc3ccccc3)S(C)(=O)=O)n2)cc1 ZINC000222917030 569894309 /nfs/dbraw/zinc/89/43/09/569894309.db2.gz HRWLLHUAHDQUDN-UHFFFAOYSA-N 0 0 458.540 2.556 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000222917823 569894358 /nfs/dbraw/zinc/89/43/58/569894358.db2.gz SGVLJXCNUSOKOH-OAQYLSRUSA-N 0 0 477.602 2.966 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222921202 569894444 /nfs/dbraw/zinc/89/44/44/569894444.db2.gz INIJIAJIUMZCGL-MRXNPFEDSA-N 0 0 499.008 2.645 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222924715 569894514 /nfs/dbraw/zinc/89/45/14/569894514.db2.gz ZOQSFPJQVHZKDK-JOCHJYFZSA-N 0 0 477.602 2.966 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222924402 569894552 /nfs/dbraw/zinc/89/45/52/569894552.db2.gz SVVLXQBXJIMAJY-QGZVFWFLSA-N 0 0 466.003 2.822 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)COc2ccc(C)c(C)c2)cc1OC ZINC000222938622 569894948 /nfs/dbraw/zinc/89/49/48/569894948.db2.gz QKPXHDIEFWXOIK-KRWDZBQOSA-N 0 0 450.557 2.525 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222938495 569894972 /nfs/dbraw/zinc/89/49/72/569894972.db2.gz SWBTWJJFTGYODZ-LJQANCHMSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222952096 569895275 /nfs/dbraw/zinc/89/52/75/569895275.db2.gz YPQGROGKWJKCHY-GOSISDBHSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000222953890 569895361 /nfs/dbraw/zinc/89/53/61/569895361.db2.gz UACUDLZPFSFIKQ-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000222956913 569895437 /nfs/dbraw/zinc/89/54/37/569895437.db2.gz XFCIQCOYPIRSBS-SFHVURJKSA-N 0 0 463.575 2.762 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222961228 569895482 /nfs/dbraw/zinc/89/54/82/569895482.db2.gz CUVFSVVEILPTAX-HXUWFJFHSA-N 0 0 463.575 2.925 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222960328 569895526 /nfs/dbraw/zinc/89/55/26/569895526.db2.gz WZKBCGAAPWSMKE-QFIPXVFZSA-N 0 0 475.611 2.795 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222963917 569895611 /nfs/dbraw/zinc/89/56/11/569895611.db2.gz DFZOZGLQPOZNKE-CQSZACIVSA-N 0 0 487.956 2.938 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000222965368 569895672 /nfs/dbraw/zinc/89/56/72/569895672.db2.gz YITNGJXQEVDJPR-GOSISDBHSA-N 0 0 463.575 2.925 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222978756 569895971 /nfs/dbraw/zinc/89/59/71/569895971.db2.gz YBEKQSCBMMDDKH-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222986714 569896233 /nfs/dbraw/zinc/89/62/33/569896233.db2.gz BVYROEAKNNIOTC-IBGZPJMESA-N 0 0 485.606 2.945 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222987858 569896296 /nfs/dbraw/zinc/89/62/96/569896296.db2.gz OWZLPOWZJHICQO-GOSISDBHSA-N 0 0 471.579 2.555 40 0 JFABRN O=C(Nc1nnc(S(=O)(=O)[N-]CCC[N@@H+]2CCc3ccccc3C2)s1)c1ccccc1 ZINC000222992877 569896429 /nfs/dbraw/zinc/89/64/29/569896429.db2.gz HKNWWJGZCTUXDD-UHFFFAOYSA-N 0 0 457.581 2.517 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2Cl)no1)Cc1ccccc1F ZINC000222997874 569896540 /nfs/dbraw/zinc/89/65/40/569896540.db2.gz HQSHSRZZDJPUEG-UHFFFAOYSA-N 0 0 452.895 2.607 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223028834 569897235 /nfs/dbraw/zinc/89/72/35/569897235.db2.gz GSSPUSQKUIPPHF-QFIPXVFZSA-N 0 0 459.612 2.931 40 0 JFABRN CN(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)S(C)(=O)=O ZINC000223042130 569897594 /nfs/dbraw/zinc/89/75/94/569897594.db2.gz ZRVRLWZQFSLUBL-VWLOTQADSA-N 0 0 493.629 2.834 40 0 JFABRN CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000223044259 569897641 /nfs/dbraw/zinc/89/76/41/569897641.db2.gz DGEIPRGPSPKBRV-QHCPKHFHSA-N 0 0 473.639 2.824 40 0 JFABRN CC(C)CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000223044407 569897649 /nfs/dbraw/zinc/89/76/49/569897649.db2.gz KIKOBYIYJOGQHX-QHCPKHFHSA-N 0 0 473.639 2.680 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223048628 569897722 /nfs/dbraw/zinc/89/77/22/569897722.db2.gz SDKPHSRTFZCGLP-MRXNPFEDSA-N 0 0 496.427 2.769 40 0 JFABRN COc1cccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223050564 569897821 /nfs/dbraw/zinc/89/78/21/569897821.db2.gz XMSNWUBRFBXQKR-UIFIKXQLSA-N 0 0 469.582 2.668 40 0 JFABRN COc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000223072068 569898587 /nfs/dbraw/zinc/89/85/87/569898587.db2.gz ABVRMBCJUYZAEL-HSZRJFAPSA-N 0 0 488.606 2.851 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1F ZINC000223077288 569898731 /nfs/dbraw/zinc/89/87/31/569898731.db2.gz DVZMKBJGHNBEFB-UHFFFAOYSA-N 0 0 463.575 2.521 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223086132 569899066 /nfs/dbraw/zinc/89/90/66/569899066.db2.gz ZYJGDKWQSJPPMF-JOCHJYFZSA-N 0 0 473.595 2.517 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSCc2cccc(C)c2)cc1OC ZINC000223091857 569899187 /nfs/dbraw/zinc/89/91/87/569899187.db2.gz YMIZTNWCBZTCDP-UHFFFAOYSA-N 0 0 452.598 2.682 40 0 JFABRN COc1ccccc1CCCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223095892 569899303 /nfs/dbraw/zinc/89/93/03/569899303.db2.gz QPRRKSFHINHTAZ-UHFFFAOYSA-N 0 0 462.568 2.762 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223101653 569899484 /nfs/dbraw/zinc/89/94/84/569899484.db2.gz VGXQEEBKRICHHK-ZWKOTPCHSA-N 0 0 463.575 2.924 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223105801 569899592 /nfs/dbraw/zinc/89/95/92/569899592.db2.gz GNABUOSKEXMANB-IBGZPJMESA-N 0 0 459.612 2.827 40 0 JFABRN COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000223107573 569899666 /nfs/dbraw/zinc/89/96/66/569899666.db2.gz JREZQUPDUWPFNJ-IBGZPJMESA-N 0 0 489.638 2.836 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 ZINC000223114711 569899832 /nfs/dbraw/zinc/89/98/32/569899832.db2.gz QDLLPURXWHHFTN-LSDHHAIUSA-N 0 0 466.556 2.753 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223120619 569900050 /nfs/dbraw/zinc/90/00/50/569900050.db2.gz CFOGZWBTTIWRIT-HXUWFJFHSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223131680 569900502 /nfs/dbraw/zinc/90/05/02/569900502.db2.gz WETYAZPSMIIKED-NRFANRHFSA-N 0 0 494.013 2.862 40 0 JFABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 ZINC000223165888 569901672 /nfs/dbraw/zinc/90/16/72/569901672.db2.gz UYIBWZMJSBJVQO-ZEQRLZLVSA-N 0 0 491.617 2.964 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC000223174626 569902107 /nfs/dbraw/zinc/90/21/07/569902107.db2.gz GQCIYODKNKKXGU-UHFFFAOYSA-N 0 0 455.502 2.999 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223187252 569902677 /nfs/dbraw/zinc/90/26/77/569902677.db2.gz XRNUKJDSMHEZLB-LJQANCHMSA-N 0 0 491.997 2.818 40 0 JFABRN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223198947 569903150 /nfs/dbraw/zinc/90/31/50/569903150.db2.gz OWSQQTOWIVVOHE-CQSZACIVSA-N 0 0 487.550 2.543 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](CC)C(=O)NC)S(C)(=O)=O ZINC000223210170 569903558 /nfs/dbraw/zinc/90/35/58/569903558.db2.gz GTTSAHHXOZLZFX-FQEVSTJZSA-N 0 0 463.575 2.708 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223210444 569903578 /nfs/dbraw/zinc/90/35/78/569903578.db2.gz HKRATBJLHWPXLI-GOSISDBHSA-N 0 0 469.966 2.799 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223234527 569904425 /nfs/dbraw/zinc/90/44/25/569904425.db2.gz YJULWNHBQXRRGC-QFIPXVFZSA-N 0 0 493.601 2.934 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000223246972 569904792 /nfs/dbraw/zinc/90/47/92/569904792.db2.gz OKDWFNVANSPKBR-UHFFFAOYSA-N 0 0 499.633 2.851 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223254683 569905030 /nfs/dbraw/zinc/90/50/30/569905030.db2.gz CCUNSKYZMOFTSP-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000223258521 569905116 /nfs/dbraw/zinc/90/51/16/569905116.db2.gz ICUBUHATJCAWEC-UHFFFAOYSA-N 0 0 455.502 2.880 40 0 JFABRN Cc1ccccc1-c1noc(CNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)n1 ZINC000223262469 569905321 /nfs/dbraw/zinc/90/53/21/569905321.db2.gz XWYDMIWFCXFZTP-ZDUSSCGKSA-N 0 0 450.467 2.794 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223266201 569905438 /nfs/dbraw/zinc/90/54/38/569905438.db2.gz VWQZNXDUASBTEG-LJQANCHMSA-N 0 0 492.617 2.772 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223273201 569905781 /nfs/dbraw/zinc/90/57/81/569905781.db2.gz USGKDAXYKZBDCH-UIFIKXQLSA-N 0 0 457.546 2.800 40 0 JFABRN Cc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)cc1 ZINC000223358852 569908594 /nfs/dbraw/zinc/90/85/94/569908594.db2.gz RJNDHYGEFSSQMP-CYBMUJFWSA-N 0 0 450.467 2.794 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223387337 569909506 /nfs/dbraw/zinc/90/95/06/569909506.db2.gz ZINKBYZFYXGNDU-JOCHJYFZSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000223412242 569910451 /nfs/dbraw/zinc/91/04/51/569910451.db2.gz FMSLCYMHYGXSOF-OAQYLSRUSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223428825 569911064 /nfs/dbraw/zinc/91/10/64/569911064.db2.gz RXDJDZQKFNMFHM-LJQANCHMSA-N 0 0 489.569 2.692 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223430681 569911190 /nfs/dbraw/zinc/91/11/90/569911190.db2.gz WKLNDVKQKWXBQG-QFIPXVFZSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223431443 569911198 /nfs/dbraw/zinc/91/11/98/569911198.db2.gz DUBVBWZELOSTEH-HXUWFJFHSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223430729 569911206 /nfs/dbraw/zinc/91/12/06/569911206.db2.gz WKLNDVKQKWXBQG-JOCHJYFZSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223434330 569911312 /nfs/dbraw/zinc/91/13/12/569911312.db2.gz TVEJURKUIADWKI-OAQYLSRUSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223434906 569911313 /nfs/dbraw/zinc/91/13/13/569911313.db2.gz HBJVTYBFSMGFBH-OAQYLSRUSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223440788 569911501 /nfs/dbraw/zinc/91/15/01/569911501.db2.gz ZUBDOBABQNSPSM-HXUWFJFHSA-N 0 0 499.992 2.807 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223450976 569911758 /nfs/dbraw/zinc/91/17/58/569911758.db2.gz XWPDPAITNBZJKU-JOCHJYFZSA-N 0 0 475.611 2.795 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223474425 569912557 /nfs/dbraw/zinc/91/25/57/569912557.db2.gz UWWSFASAKDNPAW-FQEVSTJZSA-N 0 0 466.003 2.702 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223477878 569912636 /nfs/dbraw/zinc/91/26/36/569912636.db2.gz AWWAEECSKFCMTQ-NRFANRHFSA-N 0 0 459.612 2.665 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223486501 569913117 /nfs/dbraw/zinc/91/31/17/569913117.db2.gz RNSZAGYNDNEJJI-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)CN(c3ccc(F)cc3F)S(C)(=O)=O)s2)cc1 ZINC000223492045 569913338 /nfs/dbraw/zinc/91/33/38/569913338.db2.gz IOTGFNFKOLQWNT-UHFFFAOYSA-N 0 0 454.480 2.897 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223493310 569913379 /nfs/dbraw/zinc/91/33/79/569913379.db2.gz BYWARDDHEZELIZ-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223497998 569913629 /nfs/dbraw/zinc/91/36/29/569913629.db2.gz YYFBYZLARDCMNO-QHCPKHFHSA-N 0 0 489.638 2.837 40 0 JFABRN CC[C@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223504142 569913854 /nfs/dbraw/zinc/91/38/54/569913854.db2.gz KLOUYLXGZMNSOQ-GFCCVEGCSA-N 0 0 479.005 2.640 40 0 JFABRN COc1ccc(N(CC(=O)NCCOc2cccc3ccccc32)S(C)(=O)=O)cc1OC ZINC000223518998 569914380 /nfs/dbraw/zinc/91/43/80/569914380.db2.gz YGCCNXCIIULAJG-UHFFFAOYSA-N 0 0 458.536 2.818 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1N1C(=O)CCC1=O ZINC000223521594 569914465 /nfs/dbraw/zinc/91/44/65/569914465.db2.gz FWYNUYSGEMGMEO-UHFFFAOYSA-N 0 0 490.925 2.873 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223521824 569914473 /nfs/dbraw/zinc/91/44/73/569914473.db2.gz AZPGWQVOJUVMLV-INIZCTEOSA-N 0 0 496.427 2.769 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223530807 569914749 /nfs/dbraw/zinc/91/47/49/569914749.db2.gz WIOABPWFVKTLTB-HXUWFJFHSA-N 0 0 489.638 2.837 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223533429 569914854 /nfs/dbraw/zinc/91/48/54/569914854.db2.gz CYHLVDBAHWAZLI-SFHVURJKSA-N 0 0 463.575 2.925 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2cccc3ccccc32)cc1C(=O)N1CCOCC1 ZINC000223532850 569914857 /nfs/dbraw/zinc/91/48/57/569914857.db2.gz JRBKYPGJWSCXSF-UHFFFAOYSA-N 0 0 470.547 2.678 40 0 JFABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223538969 569915135 /nfs/dbraw/zinc/91/51/35/569915135.db2.gz SSBIMVIJDWUSQF-IBGZPJMESA-N 0 0 477.602 2.968 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223538913 569915158 /nfs/dbraw/zinc/91/51/58/569915158.db2.gz SSBIMVIJDWUSQF-LJQANCHMSA-N 0 0 477.602 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223540921 569915227 /nfs/dbraw/zinc/91/52/27/569915227.db2.gz AFTYUZCUFTXRNW-MRXNPFEDSA-N 0 0 451.976 2.514 40 0 JFABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223549763 569915594 /nfs/dbraw/zinc/91/55/94/569915594.db2.gz GZGPNPGDGJWSPY-ILWGZMRPSA-N 0 0 453.583 2.704 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223563151 569916209 /nfs/dbraw/zinc/91/62/09/569916209.db2.gz UWOWKKKOOLABMV-IBGZPJMESA-N 0 0 459.612 2.877 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223567114 569916370 /nfs/dbraw/zinc/91/63/70/569916370.db2.gz KNLMDUBQXULJOH-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2cccc3ccccc32)cc1N1C(=O)CCC1=O ZINC000223575620 569916579 /nfs/dbraw/zinc/91/65/79/569916579.db2.gz UCPUGJUPUHYUGR-UHFFFAOYSA-N 0 0 454.504 2.859 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223607390 569917757 /nfs/dbraw/zinc/91/77/57/569917757.db2.gz NYALHVBJYNKOLO-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223651996 569918961 /nfs/dbraw/zinc/91/89/61/569918961.db2.gz NRVHPTKHROUABS-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN COc1ccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000223655694 569919164 /nfs/dbraw/zinc/91/91/64/569919164.db2.gz JXSPFGOGLOUQCL-UHFFFAOYSA-N 0 0 464.584 2.963 40 0 JFABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223680425 569919809 /nfs/dbraw/zinc/91/98/09/569919809.db2.gz XJTWJHCXWPULFR-OAQYLSRUSA-N 0 0 485.606 2.863 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223696646 569920258 /nfs/dbraw/zinc/92/02/58/569920258.db2.gz UCRQRWCCJWGYDG-MRXNPFEDSA-N 0 0 451.976 2.659 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223698707 569920390 /nfs/dbraw/zinc/92/03/90/569920390.db2.gz WSQSEOGHNBONDE-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223700067 569920399 /nfs/dbraw/zinc/92/03/99/569920399.db2.gz MLNUNEPAVRUGEQ-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223705864 569920567 /nfs/dbraw/zinc/92/05/67/569920567.db2.gz PFOLGWMOPQPNHM-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223706658 569920620 /nfs/dbraw/zinc/92/06/20/569920620.db2.gz CEHQQSDCCPUMOA-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223713535 569920813 /nfs/dbraw/zinc/92/08/13/569920813.db2.gz BBHFBJGXEWVRLZ-INIZCTEOSA-N 0 0 499.008 2.645 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223731637 569921462 /nfs/dbraw/zinc/92/14/62/569921462.db2.gz LIWIBMBRAFUWCF-IBGZPJMESA-N 0 0 487.622 2.937 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223740034 569921768 /nfs/dbraw/zinc/92/17/68/569921768.db2.gz SDGVUXKCUNFAOL-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223746894 569921963 /nfs/dbraw/zinc/92/19/63/569921963.db2.gz CZJHDFFYACISSC-QIJUGHKUSA-N 0 0 451.567 2.804 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223748685 569921991 /nfs/dbraw/zinc/92/19/91/569921991.db2.gz YFYCKVVQOSWWPD-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223756914 569922245 /nfs/dbraw/zinc/92/22/45/569922245.db2.gz STBWRSDMGRBVLR-MRXNPFEDSA-N 0 0 499.008 2.645 40 0 JFABRN CC(C)c1ccccc1OCCNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223774935 569922932 /nfs/dbraw/zinc/92/29/32/569922932.db2.gz SSJJVURHWVSOAZ-QGZVFWFLSA-N 0 0 462.568 2.931 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1OC ZINC000223779433 569923050 /nfs/dbraw/zinc/92/30/50/569923050.db2.gz ITFYJNSAEPPQEX-UHFFFAOYSA-N 0 0 475.567 2.589 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223785587 569923211 /nfs/dbraw/zinc/92/32/11/569923211.db2.gz DHSXTDZAUIRVNH-GOSISDBHSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223785250 569923214 /nfs/dbraw/zinc/92/32/14/569923214.db2.gz FRPMEYFYGGBNMZ-SFHVURJKSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223785194 569923217 /nfs/dbraw/zinc/92/32/17/569923217.db2.gz FRPMEYFYGGBNMZ-GOSISDBHSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223786875 569923275 /nfs/dbraw/zinc/92/32/75/569923275.db2.gz CSSBRHQHOQWFKC-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN COc1ccc(N(CCCC(=O)NCc2ccc(OC)c(OC)c2OC)S(C)(=O)=O)cc1 ZINC000223794852 569923601 /nfs/dbraw/zinc/92/36/01/569923601.db2.gz ORDIBRSCTMVVDW-UHFFFAOYSA-N 0 0 466.556 2.584 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223827205 569924492 /nfs/dbraw/zinc/92/44/92/569924492.db2.gz CMCITBFQIFBWDX-SFHVURJKSA-N 0 0 463.575 2.780 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223860199 569925436 /nfs/dbraw/zinc/92/54/36/569925436.db2.gz UHFIBAJTBPQEHY-MRXNPFEDSA-N 0 0 467.538 2.674 40 0 JFABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000223865729 569925587 /nfs/dbraw/zinc/92/55/87/569925587.db2.gz SMSZEPUZAZTOLE-SFHVURJKSA-N 0 0 478.636 2.818 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223866889 569925612 /nfs/dbraw/zinc/92/56/12/569925612.db2.gz UMRLQXFACDZBLJ-INIZCTEOSA-N 0 0 467.538 2.674 40 0 JFABRN CC(C)Sc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)s1 ZINC000223868990 569925697 /nfs/dbraw/zinc/92/56/97/569925697.db2.gz SANOVFIEIPUUSQ-UHFFFAOYSA-N 0 0 476.049 2.880 40 0 JFABRN C[C@H](NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223878544 569926008 /nfs/dbraw/zinc/92/60/08/569926008.db2.gz KKDUEISTXFOSTF-ZDUSSCGKSA-N 0 0 478.514 2.752 40 0 JFABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000223880733 569926082 /nfs/dbraw/zinc/92/60/82/569926082.db2.gz BZAAWWGKVHFTIP-JXFKEZNVSA-N 0 0 452.598 2.821 40 0 JFABRN CCOc1ccc(N([C@@H](CC)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000223881522 569926156 /nfs/dbraw/zinc/92/61/56/569926156.db2.gz PNLXVINUXSCWEP-KKSFZXQISA-N 0 0 482.624 2.911 40 0 JFABRN C[C@@H](NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223884307 569926269 /nfs/dbraw/zinc/92/62/69/569926269.db2.gz KDJZMYWWHSWTRF-CQSZACIVSA-N 0 0 474.551 2.792 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223979910 569929302 /nfs/dbraw/zinc/92/93/02/569929302.db2.gz AHLXQEHABITXBR-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223983059 569929401 /nfs/dbraw/zinc/92/94/01/569929401.db2.gz PXTQZGJWLGUISG-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN COc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1 ZINC000223987905 569929600 /nfs/dbraw/zinc/92/96/00/569929600.db2.gz AIWRVJDDVAMQRT-UHFFFAOYSA-N 0 0 498.557 2.857 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc2c(c1)OCCO2 ZINC000223990500 569929677 /nfs/dbraw/zinc/92/96/77/569929677.db2.gz IAQNQNDBOCUDJQ-UHFFFAOYSA-N 0 0 453.520 2.848 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223999648 569929984 /nfs/dbraw/zinc/92/99/84/569929984.db2.gz XDHTZQZQJRPXHJ-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224021778 569930826 /nfs/dbraw/zinc/93/08/26/569930826.db2.gz RJJUIGITKZGHIM-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000224022176 569930847 /nfs/dbraw/zinc/93/08/47/569930847.db2.gz PYTVSFKGRBVVAI-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000224024538 569930973 /nfs/dbraw/zinc/93/09/73/569930973.db2.gz WPTLFHACUMONAX-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000224031095 569931212 /nfs/dbraw/zinc/93/12/12/569931212.db2.gz WLNHJASBIOFKLX-IBGZPJMESA-N 0 0 458.540 2.948 40 0 JFABRN Cc1ccc(C)c(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000224032646 569931246 /nfs/dbraw/zinc/93/12/46/569931246.db2.gz UVRRCZAEZFFVCL-UHFFFAOYSA-N 0 0 466.003 2.702 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C(=O)N1CCOCC1 ZINC000224035252 569931336 /nfs/dbraw/zinc/93/13/36/569931336.db2.gz FCALYJYBLJMAQJ-UHFFFAOYSA-N 0 0 467.547 2.954 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224043412 569931577 /nfs/dbraw/zinc/93/15/77/569931577.db2.gz NQWJAZFRJHYSRB-MRXNPFEDSA-N 0 0 482.002 2.523 40 0 JFABRN COc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000224047913 569931697 /nfs/dbraw/zinc/93/16/97/569931697.db2.gz NHBZSKQIWJJRBB-AWEZNQCLSA-N 0 0 456.948 2.707 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224063987 569932085 /nfs/dbraw/zinc/93/20/85/569932085.db2.gz PXSBYKVQBIBWLX-HXUWFJFHSA-N 0 0 459.612 2.665 40 0 JFABRN Cc1cc(C)cc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000224079616 569932638 /nfs/dbraw/zinc/93/26/38/569932638.db2.gz WTNNBLCQTMHKGR-UHFFFAOYSA-N 0 0 452.960 2.787 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224086804 569932859 /nfs/dbraw/zinc/93/28/59/569932859.db2.gz GXSSBIIIBYQHHR-KRWDZBQOSA-N 0 0 466.003 2.556 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000224087207 569932864 /nfs/dbraw/zinc/93/28/64/569932864.db2.gz LRCQMHDEZKXQGP-IBGZPJMESA-N 0 0 475.611 2.651 40 0 JFABRN CSc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1C(=O)N1CCOCC1 ZINC000224088645 569932905 /nfs/dbraw/zinc/93/29/05/569932905.db2.gz JENHWLMEPJAPJL-UHFFFAOYSA-N 0 0 464.609 2.855 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224101841 569933204 /nfs/dbraw/zinc/93/32/04/569933204.db2.gz HWDYJQFBPDJIKW-FQEVSTJZSA-N 0 0 459.612 2.805 40 0 JFABRN Cc1cc(C)cc(OCCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000224104470 569933295 /nfs/dbraw/zinc/93/32/95/569933295.db2.gz QRXRZRHSQVJGBW-UHFFFAOYSA-N 0 0 462.568 2.816 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224104149 569933320 /nfs/dbraw/zinc/93/33/20/569933320.db2.gz YJXSFTMVLQHUHA-IBGZPJMESA-N 0 0 485.606 2.801 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224114422 569933679 /nfs/dbraw/zinc/93/36/79/569933679.db2.gz SSWYZVOSDIIYTE-JOCHJYFZSA-N 0 0 459.612 2.959 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224159463 569934885 /nfs/dbraw/zinc/93/48/85/569934885.db2.gz KCFUYHIAFBQWNG-FQEVSTJZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224163992 569935001 /nfs/dbraw/zinc/93/50/01/569935001.db2.gz DSZVNWJAEJFMIO-OAQYLSRUSA-N 0 0 481.565 2.983 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224196325 569935985 /nfs/dbraw/zinc/93/59/85/569935985.db2.gz KLGWQZJZUFGJBO-JOCHJYFZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224196465 569936038 /nfs/dbraw/zinc/93/60/38/569936038.db2.gz HFUBWRJUQJNGCI-JOCHJYFZSA-N 0 0 475.611 2.713 40 0 JFABRN Cc1ccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224198978 569936162 /nfs/dbraw/zinc/93/61/62/569936162.db2.gz LHESYORIFHDYBJ-FCEUIQTBSA-N 0 0 453.583 2.826 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224211290 569936665 /nfs/dbraw/zinc/93/66/65/569936665.db2.gz NLUTWLXEOOZCAP-QFIPXVFZSA-N 0 0 492.617 2.690 40 0 JFABRN COc1ccc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000224231013 569937335 /nfs/dbraw/zinc/93/73/35/569937335.db2.gz RPJJEHLIMNDNQP-DEOSSOPVSA-N 0 0 482.558 2.988 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224240601 569937695 /nfs/dbraw/zinc/93/76/95/569937695.db2.gz KVEOBBWGVGPJSF-QFIPXVFZSA-N 0 0 475.611 2.713 40 0 JFABRN COc1ccc(N(CCCC(=O)NCc2ccc(CN3CCCC3=O)cc2)S(C)(=O)=O)cc1 ZINC000224241076 569937785 /nfs/dbraw/zinc/93/77/85/569937785.db2.gz DVAGGZOOUIHUFS-UHFFFAOYSA-N 0 0 473.595 2.680 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224251474 569938139 /nfs/dbraw/zinc/93/81/39/569938139.db2.gz ZGSUDWVFMJFKRG-QFIPXVFZSA-N 0 0 474.627 2.551 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224260292 569938371 /nfs/dbraw/zinc/93/83/71/569938371.db2.gz BFUIMMCRHXHLSY-OAQYLSRUSA-N 0 0 485.606 2.863 40 0 JFABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2nnc(SCc3ccccc3)s2)Oc2ccccc21 ZINC000224281205 569939159 /nfs/dbraw/zinc/93/91/59/569939159.db2.gz HAIMGWDONUUDHC-INIZCTEOSA-N 0 0 462.578 2.996 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000224296428 569939636 /nfs/dbraw/zinc/93/96/36/569939636.db2.gz CXWNNKLUUFHAJQ-SFHVURJKSA-N 0 0 493.601 2.790 40 0 JFABRN CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000224301842 569939749 /nfs/dbraw/zinc/93/97/49/569939749.db2.gz BLPZCIPTNUJSQG-UHFFFAOYSA-N 0 0 456.611 2.550 40 0 JFABRN CSc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1C(=O)N1CCOCC1 ZINC000224322822 569940541 /nfs/dbraw/zinc/94/05/41/569940541.db2.gz DUHMHUCIXRZGLJ-UHFFFAOYSA-N 0 0 471.000 2.892 40 0 JFABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224323665 569940542 /nfs/dbraw/zinc/94/05/42/569940542.db2.gz APQGKMVEBXGUGE-QFIPXVFZSA-N 0 0 462.568 2.832 40 0 JFABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224323069 569940561 /nfs/dbraw/zinc/94/05/61/569940561.db2.gz NYWGAXPPITYDAI-OAQYLSRUSA-N 0 0 450.532 2.963 40 0 JFABRN CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000224332615 569940971 /nfs/dbraw/zinc/94/09/71/569940971.db2.gz FFYYNBPLRAJHMS-KRWDZBQOSA-N 0 0 494.620 2.932 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224367433 569942208 /nfs/dbraw/zinc/94/22/08/569942208.db2.gz BDJHFFDJCYZIKZ-OAQYLSRUSA-N 0 0 479.574 2.544 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224386745 569942832 /nfs/dbraw/zinc/94/28/32/569942832.db2.gz ZCEVDVPLTBYELV-FQEVSTJZSA-N 0 0 489.569 2.694 40 0 JFABRN COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000224402843 569943468 /nfs/dbraw/zinc/94/34/68/569943468.db2.gz WWRZMTQWEHMSJK-ZDUSSCGKSA-N 0 0 488.347 2.943 40 0 JFABRN O=C(CSCc1ccc(Cl)cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224431527 569944311 /nfs/dbraw/zinc/94/43/11/569944311.db2.gz ICIZGWGVACSWFS-UHFFFAOYSA-N 0 0 485.027 2.789 40 0 JFABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224468606 569945404 /nfs/dbraw/zinc/94/54/04/569945404.db2.gz SATKOWGMVDXJAC-IBGZPJMESA-N 0 0 484.574 2.823 40 0 JFABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224476444 569945650 /nfs/dbraw/zinc/94/56/50/569945650.db2.gz WEUYCFWGNHVGIW-QFIPXVFZSA-N 0 0 476.595 2.677 40 0 JFABRN COc1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1OC ZINC000224490889 569946092 /nfs/dbraw/zinc/94/60/92/569946092.db2.gz CLUQEDCQMVAKMA-NRFANRHFSA-N 0 0 462.568 2.845 40 0 JFABRN CCc1ccc(O[C@@H](CC)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000224492204 569946157 /nfs/dbraw/zinc/94/61/57/569946157.db2.gz KENOZKZZPVTXCO-QHCPKHFHSA-N 0 0 476.595 2.623 40 0 JFABRN Cc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000224493422 569946187 /nfs/dbraw/zinc/94/61/87/569946187.db2.gz RSFOEBLXSIGAJH-NRFANRHFSA-N 0 0 473.639 2.993 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224507716 569946692 /nfs/dbraw/zinc/94/66/92/569946692.db2.gz LDZMGNJDCJAHHH-FCEUIQTBSA-N 0 0 453.583 2.560 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224528287 569947299 /nfs/dbraw/zinc/94/72/99/569947299.db2.gz XHUKYOCMRYODBJ-JOCHJYFZSA-N 0 0 475.611 2.713 40 0 JFABRN COc1ccc(N(CCCC(=O)NCc2nc(-c3ccc(C)cc3)no2)S(C)(=O)=O)cc1 ZINC000224528645 569947300 /nfs/dbraw/zinc/94/73/00/569947300.db2.gz SOAKLFURSCGVSB-UHFFFAOYSA-N 0 0 458.540 2.916 40 0 JFABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224545800 569947860 /nfs/dbraw/zinc/94/78/60/569947860.db2.gz SCWFAIBHCCYGQW-BDTNDASRSA-N 0 0 453.583 2.907 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000224549071 569948060 /nfs/dbraw/zinc/94/80/60/569948060.db2.gz FHWDXTHDQDXVGU-UHFFFAOYSA-N 0 0 486.421 2.908 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1Cl ZINC000224550586 569948088 /nfs/dbraw/zinc/94/80/88/569948088.db2.gz CKSYHWSORWCLPR-UHFFFAOYSA-N 0 0 486.421 2.908 40 0 JFABRN Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224556085 569948298 /nfs/dbraw/zinc/94/82/98/569948298.db2.gz BVRHVTYDAOQQJJ-FQEVSTJZSA-N 0 0 459.612 2.607 40 0 JFABRN Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000224560136 569948440 /nfs/dbraw/zinc/94/84/40/569948440.db2.gz VVBRBINVZDPFBH-UHFFFAOYSA-N 0 0 457.596 2.542 40 0 JFABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O ZINC000224560702 569948519 /nfs/dbraw/zinc/94/85/19/569948519.db2.gz LOPNRSPLHWCDNP-SFHVURJKSA-N 0 0 480.030 2.952 40 0 JFABRN Cc1ccc(C)c(N(CCCC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224563719 569948580 /nfs/dbraw/zinc/94/85/80/569948580.db2.gz JFZUEINMSIUIAL-UHFFFAOYSA-N 0 0 473.639 2.998 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224567812 569948812 /nfs/dbraw/zinc/94/88/12/569948812.db2.gz NPKMTGPAIOBDHZ-QFIPXVFZSA-N 0 0 489.638 2.967 40 0 JFABRN CC[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224568153 569948842 /nfs/dbraw/zinc/94/88/42/569948842.db2.gz HWYQILVRISQJIX-JOCHJYFZSA-N 0 0 463.575 2.519 40 0 JFABRN Cc1cc(C)c(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c(C)c1 ZINC000224569089 569948900 /nfs/dbraw/zinc/94/89/00/569948900.db2.gz KXPSCPODZFMHJS-UHFFFAOYSA-N 0 0 459.612 2.526 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000224570793 569948959 /nfs/dbraw/zinc/94/89/59/569948959.db2.gz NWVRHYYHTCXEAO-AREMUKBSSA-N 0 0 499.677 2.810 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000224576129 569949232 /nfs/dbraw/zinc/94/92/32/569949232.db2.gz AYMBCWITCXMIHQ-JOCHJYFZSA-N 0 0 478.014 2.642 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000224577248 569949250 /nfs/dbraw/zinc/94/92/50/569949250.db2.gz OSDIRJPEBMYTHD-UHFFFAOYSA-N 0 0 485.528 2.620 40 0 JFABRN CCc1ccc(N(CCCC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224582026 569949469 /nfs/dbraw/zinc/94/94/69/569949469.db2.gz AEEFHPURHYQRPH-UHFFFAOYSA-N 0 0 473.639 2.944 40 0 JFABRN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)s2)c1 ZINC000224586280 569949613 /nfs/dbraw/zinc/94/96/13/569949613.db2.gz PWTNIZRDXANJSV-UHFFFAOYSA-N 0 0 461.544 2.749 40 0 JFABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224613422 569950748 /nfs/dbraw/zinc/95/07/48/569950748.db2.gz JOULMBUDNNTLGG-NRFANRHFSA-N 0 0 485.606 2.719 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224615832 569950889 /nfs/dbraw/zinc/95/08/89/569950889.db2.gz DMNDUMGEMXQRED-HSZRJFAPSA-N 0 0 487.622 2.641 40 0 JFABRN COc1cccc(N(CCCC(=O)NCc2ccc(OC)c(OC)c2OC)S(C)(=O)=O)c1 ZINC000224627269 569951424 /nfs/dbraw/zinc/95/14/24/569951424.db2.gz SUFXOSSYTCNECY-UHFFFAOYSA-N 0 0 466.556 2.584 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224649123 569952179 /nfs/dbraw/zinc/95/21/79/569952179.db2.gz GGFUXPXIGHYVFY-IBGZPJMESA-N 0 0 459.612 2.959 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000224654306 569952336 /nfs/dbraw/zinc/95/23/36/569952336.db2.gz NDJMXDSOUQXVCO-KRWDZBQOSA-N 0 0 479.574 2.542 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224661750 569952598 /nfs/dbraw/zinc/95/25/98/569952598.db2.gz YBHVHYQFBHNZSY-OAHLLOKOSA-N 0 0 485.528 2.812 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224680336 569953421 /nfs/dbraw/zinc/95/34/21/569953421.db2.gz PEMHELXTAKELGK-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224681424 569953449 /nfs/dbraw/zinc/95/34/49/569953449.db2.gz XUGKGFMQHRAGIF-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224688497 569953623 /nfs/dbraw/zinc/95/36/23/569953623.db2.gz IFHIMDCBMMKIQT-LJQANCHMSA-N 0 0 487.622 2.907 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224697691 569953929 /nfs/dbraw/zinc/95/39/29/569953929.db2.gz MWOADUXRNRXPCG-LJQANCHMSA-N 0 0 485.606 2.863 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)NCCOc1ccccc1OC)S(C)(=O)=O ZINC000224698816 569954002 /nfs/dbraw/zinc/95/40/02/569954002.db2.gz YTOUJQJYSHGESM-UHFFFAOYSA-N 0 0 450.557 2.835 40 0 JFABRN COc1ccc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)c(OC)c1 ZINC000224710706 569954412 /nfs/dbraw/zinc/95/44/12/569954412.db2.gz QQEHMMRNDZBELI-UHFFFAOYSA-N 0 0 450.557 2.583 40 0 JFABRN Cc1c(Cl)cccc1N(CC(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O ZINC000224715325 569954525 /nfs/dbraw/zinc/95/45/25/569954525.db2.gz QDTOCCUBKDYQPW-UHFFFAOYSA-N 0 0 466.003 2.563 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224725435 569954823 /nfs/dbraw/zinc/95/48/23/569954823.db2.gz NULPBIAESJNFGQ-IBGZPJMESA-N 0 0 487.622 2.907 40 0 JFABRN Cc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000224725262 569954853 /nfs/dbraw/zinc/95/48/53/569954853.db2.gz BCCZHAHWIBYRKL-UHFFFAOYSA-N 0 0 471.623 2.932 40 0 JFABRN Cc1ccc(N(CCCC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1C ZINC000224726390 569954880 /nfs/dbraw/zinc/95/48/80/569954880.db2.gz SCRIZMUPDIEHCG-UHFFFAOYSA-N 0 0 473.639 2.998 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000224725515 569954924 /nfs/dbraw/zinc/95/49/24/569954924.db2.gz BPBLRPWNUMVVGX-UHFFFAOYSA-N 0 0 478.014 2.887 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1Cl ZINC000224726179 569954927 /nfs/dbraw/zinc/95/49/27/569954927.db2.gz JKOGUROGWFKOSI-KRWDZBQOSA-N 0 0 496.029 2.652 40 0 JFABRN Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224726039 569954929 /nfs/dbraw/zinc/95/49/29/569954929.db2.gz FYOCZVOSUJVGAD-FQEVSTJZSA-N 0 0 459.612 2.607 40 0 JFABRN CC(C)CSc1nnc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)s1 ZINC000224728072 569955030 /nfs/dbraw/zinc/95/50/30/569955030.db2.gz GGSAKOSHNUIYKT-UHFFFAOYSA-N 0 0 456.615 2.701 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000224737705 569955534 /nfs/dbraw/zinc/95/55/34/569955534.db2.gz NNRFLRLPVPHKRL-SANMLTNESA-N 0 0 499.677 2.810 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 ZINC000224743935 569955763 /nfs/dbraw/zinc/95/57/63/569955763.db2.gz VNNPIJKLQFKFGO-HNNXBMFYSA-N 0 0 474.539 2.567 40 0 JFABRN CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224806521 569958372 /nfs/dbraw/zinc/95/83/72/569958372.db2.gz PFHMSIDHBPTVJW-UHFFFAOYSA-N 0 0 463.575 2.968 40 0 JFABRN CCc1ccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000224816458 569958908 /nfs/dbraw/zinc/95/89/08/569958908.db2.gz ZFFUHALMKHBBOZ-UHFFFAOYSA-N 0 0 462.568 2.762 40 0 JFABRN CCOc1ccc(C(=O)N2CCN(C)CC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224837373 569959749 /nfs/dbraw/zinc/95/97/49/569959749.db2.gz ILJXGFLVRRDXCZ-UHFFFAOYSA-N 0 0 466.003 2.947 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224857426 569960491 /nfs/dbraw/zinc/96/04/91/569960491.db2.gz RATPSQNPKUKTKB-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224873518 569961200 /nfs/dbraw/zinc/96/12/00/569961200.db2.gz PFWHDMKLEXYTLE-QGZVFWFLSA-N 0 0 496.580 2.521 40 0 JFABRN Cc1ccc(CN(CC(=O)NCc2nc(-c3cccc(Br)c3)no2)S(C)(=O)=O)cc1 ZINC000224911130 569963074 /nfs/dbraw/zinc/96/30/74/569963074.db2.gz OPZSJIPHFLUXIW-UHFFFAOYSA-N 0 0 493.383 2.886 40 0 JFABRN COC(=O)c1c(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)sc2c1CCCC2 ZINC000224914861 569963295 /nfs/dbraw/zinc/96/32/95/569963295.db2.gz UBJMCNJRFJGRLA-UHFFFAOYSA-N 0 0 454.545 2.953 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000224931686 569963860 /nfs/dbraw/zinc/96/38/60/569963860.db2.gz HPMYUMGMOVMLBN-NRFANRHFSA-N 0 0 497.639 2.909 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000408596838 569967117 /nfs/dbraw/zinc/96/71/17/569967117.db2.gz SNDRHSLZOAQBGU-UHFFFAOYSA-N 0 0 464.540 2.748 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224987474 569967548 /nfs/dbraw/zinc/96/75/48/569967548.db2.gz IXFKVEPVOLYSDW-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1 ZINC000224987113 569967583 /nfs/dbraw/zinc/96/75/83/569967583.db2.gz DXGZPGMMNBUZLO-UHFFFAOYSA-N 0 0 468.373 2.690 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000408597764 569967613 /nfs/dbraw/zinc/96/76/13/569967613.db2.gz XZZSGCTZPKVIFQ-MRXNPFEDSA-N 0 0 451.976 2.673 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000408597763 569967659 /nfs/dbraw/zinc/96/76/59/569967659.db2.gz XZZSGCTZPKVIFQ-INIZCTEOSA-N 0 0 451.976 2.673 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCc1ccccc1Cl ZINC000408597956 569967809 /nfs/dbraw/zinc/96/78/09/569967809.db2.gz WYVXHIZJRCIWAP-UHFFFAOYSA-N 0 0 459.351 2.710 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000408600808 569968824 /nfs/dbraw/zinc/96/88/24/569968824.db2.gz COOBTMDTPICKGK-HXUWFJFHSA-N 0 0 459.612 2.733 40 0 JFABRN COc1cc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c(OC)cc1Cl ZINC000225009192 569968955 /nfs/dbraw/zinc/96/89/55/569968955.db2.gz YHZBQPRFLIQIFY-UHFFFAOYSA-N 0 0 483.974 2.599 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1OC ZINC000408601792 569969251 /nfs/dbraw/zinc/96/92/51/569969251.db2.gz HKQCMOWUHFTCHY-KRWDZBQOSA-N 0 0 464.584 2.764 40 0 JFABRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000408601688 569969303 /nfs/dbraw/zinc/96/93/03/569969303.db2.gz BGZPQKBWBRHFBU-UHFFFAOYSA-N 0 0 463.556 2.591 40 0 JFABRN Cc1cccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408601996 569969457 /nfs/dbraw/zinc/96/94/57/569969457.db2.gz BJCFAUFVXCROKM-UHFFFAOYSA-N 0 0 466.003 2.682 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000225018250 569969469 /nfs/dbraw/zinc/96/94/69/569969469.db2.gz APTYAZIQHOPWCU-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000225024121 569969771 /nfs/dbraw/zinc/96/97/71/569969771.db2.gz BSUBQZVQKBXVMJ-LJQANCHMSA-N 0 0 489.638 2.967 40 0 JFABRN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(I)c1 ZINC000225024040 569969813 /nfs/dbraw/zinc/96/98/13/569969813.db2.gz SOIDJPXXXLPUSS-UHFFFAOYSA-N 0 0 470.332 2.746 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225027813 569970108 /nfs/dbraw/zinc/97/01/08/569970108.db2.gz AVMHEKNHWZLQFK-MRXNPFEDSA-N 0 0 497.564 2.683 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225034828 569970577 /nfs/dbraw/zinc/97/05/77/569970577.db2.gz YAHTVYYXCQSDDZ-QGZVFWFLSA-N 0 0 496.029 2.913 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000408605505 569970908 /nfs/dbraw/zinc/97/09/08/569970908.db2.gz JDMQHTSJRVCPNK-HNNXBMFYSA-N 0 0 464.540 2.900 40 0 JFABRN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1C ZINC000408605758 569970996 /nfs/dbraw/zinc/97/09/96/569970996.db2.gz JZTKIQVSOULGRI-LJQANCHMSA-N 0 0 459.568 2.617 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225041891 569971308 /nfs/dbraw/zinc/97/13/08/569971308.db2.gz GPYDUNGEBSCEKV-BLKABHOGSA-N 0 0 453.583 2.968 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000225046997 569971711 /nfs/dbraw/zinc/97/17/11/569971711.db2.gz PIZQKXHOYKZDTI-UHFFFAOYSA-N 0 0 497.639 2.911 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000225050862 569971960 /nfs/dbraw/zinc/97/19/60/569971960.db2.gz PRPYJICUKXKTSI-UHFFFAOYSA-N 0 0 498.605 2.849 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225052044 569972050 /nfs/dbraw/zinc/97/20/50/569972050.db2.gz UDNNCFLWGROHEY-SFHVURJKSA-N 0 0 463.575 2.578 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000225056515 569972376 /nfs/dbraw/zinc/97/23/76/569972376.db2.gz RKRBJRHLXRHVNB-UHFFFAOYSA-N 0 0 459.568 2.753 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(C)cc1 ZINC000408611129 569972686 /nfs/dbraw/zinc/97/26/86/569972686.db2.gz RXKHFYFINHMBFW-UHFFFAOYSA-N 0 0 456.568 2.910 40 0 JFABRN CCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1OCC ZINC000225065653 569973014 /nfs/dbraw/zinc/97/30/14/569973014.db2.gz AXNOLIYUEWZTSM-UHFFFAOYSA-N 0 0 461.584 2.981 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408614030 569973692 /nfs/dbraw/zinc/97/36/92/569973692.db2.gz ZTMDIMDLAIPOIM-UHFFFAOYSA-N 0 0 489.333 2.971 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)cc1 ZINC000408614546 569974005 /nfs/dbraw/zinc/97/40/05/569974005.db2.gz DNBYFEHWVLELLM-GCJKJVERSA-N 0 0 451.523 2.661 40 0 JFABRN C[C@H](C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225089005 569974331 /nfs/dbraw/zinc/97/43/31/569974331.db2.gz GSUYXAVOXZKZFW-ZBFHGGJFSA-N 0 0 481.521 2.667 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000225089608 569974333 /nfs/dbraw/zinc/97/43/33/569974333.db2.gz HDYIKPWCHZRYGP-FQEVSTJZSA-N 0 0 489.594 2.515 40 0 JFABRN COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)C1 ZINC000408615104 569974396 /nfs/dbraw/zinc/97/43/96/569974396.db2.gz LUYKSNCKMFDUFV-INIZCTEOSA-N 0 0 459.930 2.863 40 0 JFABRN COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)C1 ZINC000408615024 569974477 /nfs/dbraw/zinc/97/44/77/569974477.db2.gz KYFIIGHGVHFXEC-LJQANCHMSA-N 0 0 453.539 2.827 40 0 JFABRN CCc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000408615570 569974903 /nfs/dbraw/zinc/97/49/03/569974903.db2.gz QUHHZZZDQMGABS-DENIHFKCSA-N 0 0 465.550 2.915 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000408615719 569974923 /nfs/dbraw/zinc/97/49/23/569974923.db2.gz RLIFDCPELLBKNJ-KRWDZBQOSA-N 0 0 465.959 2.654 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCn4ccnc4)CC3=O)cc2)cc1 ZINC000408615789 569975021 /nfs/dbraw/zinc/97/50/21/569975021.db2.gz SGQYLNXFAWALKF-FQEVSTJZSA-N 0 0 475.549 2.768 40 0 JFABRN CCn1c(=O)sc2cc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)ccc21 ZINC000225108963 569975445 /nfs/dbraw/zinc/97/54/45/569975445.db2.gz RUGWBYYPASHGGU-INIZCTEOSA-N 0 0 467.956 2.902 40 0 JFABRN CC(=O)Nc1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 ZINC000408618064 569976539 /nfs/dbraw/zinc/97/65/39/569976539.db2.gz JDNCBVRNCXBKHC-UHFFFAOYSA-N 0 0 487.319 2.654 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000408618338 569976654 /nfs/dbraw/zinc/97/66/54/569976654.db2.gz FMSCCBGBCWHOPC-CQSZACIVSA-N 0 0 455.939 2.503 40 0 JFABRN COc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408619339 569977239 /nfs/dbraw/zinc/97/72/39/569977239.db2.gz HIABOKBJZGWXSU-UHFFFAOYSA-N 0 0 472.567 2.611 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)Cc1ccccc1 ZINC000408619508 569977398 /nfs/dbraw/zinc/97/73/98/569977398.db2.gz IDVVQHDUORRULV-UHFFFAOYSA-N 0 0 455.502 2.816 40 0 JFABRN CC(C)n1c2ccc(NC(=O)CN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2sc1=O ZINC000225148170 569977985 /nfs/dbraw/zinc/97/79/85/569977985.db2.gz GVQZLWKSYGIMND-UHFFFAOYSA-N 0 0 477.564 2.820 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C(=O)N1CCOCC1 ZINC000225149495 569978145 /nfs/dbraw/zinc/97/81/45/569978145.db2.gz XJRHFKCMEFKEHU-UHFFFAOYSA-N 0 0 491.591 2.926 40 0 JFABRN COc1ccccc1N(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)S(=O)(=O)c1ccccc1 ZINC000408621304 569978190 /nfs/dbraw/zinc/97/81/90/569978190.db2.gz RATAURZWYMEVSC-UHFFFAOYSA-N 0 0 480.546 2.720 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225151392 569978233 /nfs/dbraw/zinc/97/82/33/569978233.db2.gz BHZNGSCNDGFJES-JKSUJKDBSA-N 0 0 491.997 2.817 40 0 JFABRN COC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000408621422 569978313 /nfs/dbraw/zinc/97/83/13/569978313.db2.gz OBUUYMIQPKJBJH-MRXNPFEDSA-N 0 0 469.401 2.834 40 0 JFABRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCCN2CCOCC2)c(C)c1 ZINC000408621639 569978426 /nfs/dbraw/zinc/97/84/26/569978426.db2.gz NOHONYBCJUHSBF-UHFFFAOYSA-N 0 0 487.666 2.684 40 0 JFABRN O=C(Nc1nnc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1)c1ccccc1 ZINC000225155682 569978692 /nfs/dbraw/zinc/97/86/92/569978692.db2.gz ZWRISQLTOAXJNN-JXMROGBWSA-N 0 0 469.592 2.810 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1ccc(Br)cc1 ZINC000408623483 569979365 /nfs/dbraw/zinc/97/93/65/569979365.db2.gz RHBWBDKAZLRXLG-UHFFFAOYSA-N 0 0 480.428 2.555 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1cccc(C)c1 ZINC000408623511 569979368 /nfs/dbraw/zinc/97/93/68/569979368.db2.gz RTWIZRNLWYPVBI-UHFFFAOYSA-N 0 0 456.568 2.910 40 0 JFABRN CCc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408624962 569979954 /nfs/dbraw/zinc/97/99/54/569979954.db2.gz UWVUHGVUTRQJCY-UHFFFAOYSA-N 0 0 489.638 2.600 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000225195791 569981784 /nfs/dbraw/zinc/98/17/84/569981784.db2.gz ULEMCVXKBGVNKG-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(I)cc1 ZINC000225208362 569982527 /nfs/dbraw/zinc/98/25/27/569982527.db2.gz JEHGCGVYTNHPJE-CQSZACIVSA-N 0 0 452.292 2.833 40 0 JFABRN CCc1ccc(N(CCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000225209313 569982529 /nfs/dbraw/zinc/98/25/29/569982529.db2.gz QGKOGILWSIJNGG-IBGZPJMESA-N 0 0 459.612 2.959 40 0 JFABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NC[C@@H]1COc2ccccc2O1 ZINC000225240330 569984967 /nfs/dbraw/zinc/98/49/67/569984967.db2.gz GXNFXZUGPPNGLY-LJQANCHMSA-N 0 0 456.495 2.977 40 0 JFABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NC[C@@H]1COc2ccccc2O1 ZINC000225240274 569984980 /nfs/dbraw/zinc/98/49/80/569984980.db2.gz NFMNBZILYOOHDP-QGZVFWFLSA-N 0 0 456.495 2.977 40 0 JFABRN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NC[C@@H]1COc2ccccc2O1 ZINC000225252199 569985910 /nfs/dbraw/zinc/98/59/10/569985910.db2.gz CPCZCKZQYAZGMC-LJQANCHMSA-N 0 0 496.541 2.609 40 0 JFABRN COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1C(=O)N1CCCCCC1 ZINC000225253563 569986057 /nfs/dbraw/zinc/98/60/57/569986057.db2.gz BOKAHOAEZLOMFS-KRWDZBQOSA-N 0 0 460.552 2.830 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000225255792 569986289 /nfs/dbraw/zinc/98/62/89/569986289.db2.gz PNBDFRIYCBXMSF-QGZVFWFLSA-N 0 0 460.552 2.686 40 0 JFABRN COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl ZINC000408636003 569986355 /nfs/dbraw/zinc/98/63/55/569986355.db2.gz OKDLVRNCWMCVQO-HNNXBMFYSA-N 0 0 452.960 2.617 40 0 JFABRN COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1C(=O)N1CCC(C)CC1 ZINC000225257499 569986406 /nfs/dbraw/zinc/98/64/06/569986406.db2.gz ONTDZKBDLSNDGP-KRWDZBQOSA-N 0 0 460.552 2.686 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225267847 569987130 /nfs/dbraw/zinc/98/71/30/569987130.db2.gz RIZYWIWBOOXWAS-HXUWFJFHSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000225275953 569987702 /nfs/dbraw/zinc/98/77/02/569987702.db2.gz PGKGBEWVJSZWTM-NVXWUHKLSA-N 0 0 468.959 2.849 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000225278471 569987784 /nfs/dbraw/zinc/98/77/84/569987784.db2.gz JYSPLISPQYPLED-IEBWSBKVSA-N 0 0 464.971 2.838 40 0 JFABRN COc1ccccc1N(CCCC(=O)NCc1cccc(N2CCCC2=O)c1)S(C)(=O)=O ZINC000225280711 569987909 /nfs/dbraw/zinc/98/79/09/569987909.db2.gz MKIHXADJCBDVPP-UHFFFAOYSA-N 0 0 459.568 2.685 40 0 JFABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000225298578 569988797 /nfs/dbraw/zinc/98/87/97/569988797.db2.gz JFJPQJNHSNPEOS-CYBMUJFWSA-N 0 0 464.931 2.870 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 ZINC000408644145 569990599 /nfs/dbraw/zinc/99/05/99/569990599.db2.gz DITWQOPLDCCCEX-AWEZNQCLSA-N 0 0 460.870 2.670 40 0 JFABRN C[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000225335591 569991047 /nfs/dbraw/zinc/99/10/47/569991047.db2.gz KFJFNERODCNWNV-ZDUSSCGKSA-N 0 0 460.537 2.770 40 0 JFABRN C[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000225335631 569991054 /nfs/dbraw/zinc/99/10/54/569991054.db2.gz KFJFNERODCNWNV-CYBMUJFWSA-N 0 0 460.537 2.770 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c1 ZINC000225346552 569991981 /nfs/dbraw/zinc/99/19/81/569991981.db2.gz FDYDJLQCIIQRNL-OAHLLOKOSA-N 0 0 480.608 2.938 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225357557 569992731 /nfs/dbraw/zinc/99/27/31/569992731.db2.gz OQEDSJXVCSSEGF-RBUKOAKNSA-N 0 0 475.611 2.793 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225372996 569993663 /nfs/dbraw/zinc/99/36/63/569993663.db2.gz AHVOLBBDHZSRRU-NRFANRHFSA-N 0 0 493.601 2.934 40 0 JFABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 ZINC000408650881 569993922 /nfs/dbraw/zinc/99/39/22/569993922.db2.gz CFQAOVJOUPFGFR-ZDUSSCGKSA-N 0 0 464.305 2.977 40 0 JFABRN CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)c1 ZINC000408650783 569993929 /nfs/dbraw/zinc/99/39/29/569993929.db2.gz BYIJGTDJHFQYQW-AWEZNQCLSA-N 0 0 492.315 2.871 40 0 JFABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc21 ZINC000225384668 569994301 /nfs/dbraw/zinc/99/43/01/569994301.db2.gz UOADRVYQTRRRHX-UHFFFAOYSA-N 0 0 489.619 2.961 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C(=O)OCC)cc3)CC2=O)cc1 ZINC000408651417 569994331 /nfs/dbraw/zinc/99/43/31/569994331.db2.gz DKNVKHPTFAWUDV-LJQANCHMSA-N 0 0 496.516 2.965 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000225388141 569994477 /nfs/dbraw/zinc/99/44/77/569994477.db2.gz QQCKMOLPZFAAJW-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225401514 569995054 /nfs/dbraw/zinc/99/50/54/569995054.db2.gz VEHPNOUJQDRTIU-OAQYLSRUSA-N 0 0 493.601 2.934 40 0 JFABRN COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)cc1 ZINC000408652707 569995070 /nfs/dbraw/zinc/99/50/70/569995070.db2.gz GXCBWJXQBUFYPR-AWEZNQCLSA-N 0 0 475.295 2.771 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000225406006 569995240 /nfs/dbraw/zinc/99/52/40/569995240.db2.gz MNZWGIWXCBBHAC-QGZVFWFLSA-N 0 0 466.003 2.904 40 0 JFABRN CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)c1 ZINC000408654123 569996005 /nfs/dbraw/zinc/99/60/05/569996005.db2.gz JPGLTAWHNARSPK-LJQANCHMSA-N 0 0 466.490 2.989 40 0 JFABRN C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(C(C)(C)C)cc2)C1)c1ccccc1 ZINC000408654537 569996205 /nfs/dbraw/zinc/99/62/05/569996205.db2.gz KARLKPKENWEVPY-PXNSSMCTSA-N 0 0 465.550 2.898 40 0 JFABRN C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(C(C)(C)C)cc2)C1)c1ccccc1 ZINC000408654536 569996228 /nfs/dbraw/zinc/99/62/28/569996228.db2.gz KARLKPKENWEVPY-FXAWDEMLSA-N 0 0 465.550 2.898 40 0 JFABRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)ccc1NS(C)(=O)=O ZINC000225432365 569996561 /nfs/dbraw/zinc/99/65/61/569996561.db2.gz MEANDRFYLAGZCQ-WOJBJXKFSA-N 0 0 457.581 2.977 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225433610 569996651 /nfs/dbraw/zinc/99/66/51/569996651.db2.gz NDWBGYCCWSYVLC-WOJBJXKFSA-N 0 0 489.638 2.836 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000225438444 569996854 /nfs/dbraw/zinc/99/68/54/569996854.db2.gz WCQAPCRJWOIPCR-MRXNPFEDSA-N 0 0 467.538 2.674 40 0 JFABRN CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(OCC)cc3)CC2=O)cc1 ZINC000408655779 569997118 /nfs/dbraw/zinc/99/71/18/569997118.db2.gz MEOFENRGHVCDIN-KRWDZBQOSA-N 0 0 454.479 2.797 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225447845 569997299 /nfs/dbraw/zinc/99/72/99/569997299.db2.gz HKTGIHDAAVPYNK-JOCHJYFZSA-N 0 0 499.633 2.987 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OCC)cc3)C2)cc1 ZINC000408656295 569997507 /nfs/dbraw/zinc/99/75/07/569997507.db2.gz NFAQZNREPKXSSD-GOSISDBHSA-N 0 0 482.489 2.575 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225461056 569997755 /nfs/dbraw/zinc/99/77/55/569997755.db2.gz KUSUEJFEHOTSEY-IBGZPJMESA-N 0 0 475.611 2.793 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 ZINC000408657344 569998162 /nfs/dbraw/zinc/99/81/62/569998162.db2.gz PERIHWAYRPZLCV-SFHVURJKSA-N 0 0 482.489 2.573 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225472123 569998359 /nfs/dbraw/zinc/99/83/59/569998359.db2.gz XNZPSSRCYPZEKT-GOSISDBHSA-N 0 0 471.579 2.553 40 0 JFABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000225473470 569998386 /nfs/dbraw/zinc/99/83/86/569998386.db2.gz GEJVVSIPZQJMMH-OAQYLSRUSA-N 0 0 464.609 2.758 40 0 JFABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(C)cc2)C1 ZINC000408657824 569998522 /nfs/dbraw/zinc/99/85/22/569998522.db2.gz PKXOCRXBNRBIAD-FQEVSTJZSA-N 0 0 451.523 2.795 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225485856 569999166 /nfs/dbraw/zinc/99/91/66/569999166.db2.gz FQQBFFNZGGFSGV-RXVVDRJESA-N 0 0 485.606 2.943 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)Nc1ccc(Cl)cc1 ZINC000408658773 569999169 /nfs/dbraw/zinc/99/91/69/569999169.db2.gz RGILHYHJVNFPDT-LBPRGKRZSA-N 0 0 450.278 2.669 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C ZINC000225491928 569999511 /nfs/dbraw/zinc/99/95/11/569999511.db2.gz MGTYUMBRDMUDFK-IBGZPJMESA-N 0 0 492.617 2.689 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C)cc3)C2)cc1 ZINC000408659400 569999552 /nfs/dbraw/zinc/99/95/52/569999552.db2.gz SHJBRZIBRDKVBX-FQEVSTJZSA-N 0 0 495.532 2.627 40 0 JFABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1NS(C)(=O)=O ZINC000225493247 569999584 /nfs/dbraw/zinc/99/95/84/569999584.db2.gz DEJVAKKLQSDPQT-UXHICEINSA-N 0 0 457.581 2.977 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000225493417 569999733 /nfs/dbraw/zinc/99/97/33/569999733.db2.gz CJULGWLBIOFPFN-UHFFFAOYSA-N 0 0 488.541 2.944 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)Nc1ccc(Cl)cc1 ZINC000408659981 569999869 /nfs/dbraw/zinc/99/98/69/569999869.db2.gz UFUWORONQQOMFL-CYBMUJFWSA-N 0 0 450.278 2.669 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000225497906 569999988 /nfs/dbraw/zinc/99/99/88/569999988.db2.gz AEXFIGIGFRFALM-UHFFFAOYSA-N 0 0 489.594 2.501 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccccc3Cl)CC2)cc1 ZINC000225501673 570000404 /nfs/dbraw/zinc/00/04/04/570000404.db2.gz SLRQKQJUOYSQEM-UHFFFAOYSA-N 0 0 452.960 2.945 40 0 JFABRN COc1cc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc(OC)c1OC ZINC000225507725 570000877 /nfs/dbraw/zinc/00/08/77/570000877.db2.gz CEKVDHGMLNSMRZ-UHFFFAOYSA-N 0 0 498.970 2.948 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225510479 570001116 /nfs/dbraw/zinc/00/11/16/570001116.db2.gz ZZCOBWIIDQTIFL-FQEVSTJZSA-N 0 0 459.612 2.866 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)Nc1cccc(Cl)c1 ZINC000408661994 570001322 /nfs/dbraw/zinc/00/13/22/570001322.db2.gz WQGIIRPVINHJGV-ZDUSSCGKSA-N 0 0 450.278 2.669 40 0 JFABRN COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc4ccccc43)CC2=O)cc1OC ZINC000408662725 570001868 /nfs/dbraw/zinc/00/18/68/570001868.db2.gz XOEDSABARYEXDV-GOSISDBHSA-N 0 0 491.500 2.532 40 0 JFABRN CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1 ZINC000408663489 570002361 /nfs/dbraw/zinc/00/23/61/570002361.db2.gz YKLYXOOQNKVLHU-MRXNPFEDSA-N 0 0 488.338 2.687 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 ZINC000408663485 570002370 /nfs/dbraw/zinc/00/23/70/570002370.db2.gz PTRSOXIWBPVSLV-WOJBJXKFSA-N 0 0 462.458 2.724 40 0 JFABRN Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)c1 ZINC000408663470 570002446 /nfs/dbraw/zinc/00/24/46/570002446.db2.gz YJRZYYRGUIARIK-GOSISDBHSA-N 0 0 451.523 2.968 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225536342 570003597 /nfs/dbraw/zinc/00/35/97/570003597.db2.gz DUQRGHAWMOOHEE-QGZVFWFLSA-N 0 0 477.558 2.631 40 0 JFABRN COc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1OC ZINC000225538435 570003700 /nfs/dbraw/zinc/00/37/00/570003700.db2.gz IVYYWKPVUSOXCU-GOSISDBHSA-N 0 0 464.559 2.993 40 0 JFABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000225539877 570003899 /nfs/dbraw/zinc/00/38/99/570003899.db2.gz VVGUMABBPYFCEO-UTKZUKDTSA-N 0 0 482.599 2.897 40 0 JFABRN COc1cccc(N(CCCC(=O)N[C@@H](C)COc2ccccc2OC)S(C)(=O)=O)c1 ZINC000225540669 570003925 /nfs/dbraw/zinc/00/39/25/570003925.db2.gz PMHABUDFWXNBDC-KRWDZBQOSA-N 0 0 450.557 2.834 40 0 JFABRN CCOc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)ccc1OC ZINC000225540731 570003991 /nfs/dbraw/zinc/00/39/91/570003991.db2.gz BBLSWODUZVRTKZ-KRWDZBQOSA-N 0 0 450.532 2.950 40 0 JFABRN Cc1cccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1 ZINC000225541544 570004090 /nfs/dbraw/zinc/00/40/90/570004090.db2.gz GNSAHDYZRMCFSV-KRWDZBQOSA-N 0 0 458.515 2.901 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1 ZINC000225542141 570004148 /nfs/dbraw/zinc/00/41/48/570004148.db2.gz YDIQKVGPMZJUQC-KRWDZBQOSA-N 0 0 488.541 2.944 40 0 JFABRN COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c(OC)c1 ZINC000408665984 570004416 /nfs/dbraw/zinc/00/44/16/570004416.db2.gz RWPUABLYVJEZEA-RTBURBONSA-N 0 0 464.474 2.955 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225546342 570004571 /nfs/dbraw/zinc/00/45/71/570004571.db2.gz QFKJIRAFVNLTJL-GOSISDBHSA-N 0 0 495.045 2.895 40 0 JFABRN CN(c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1)S(C)(=O)=O ZINC000225546241 570004573 /nfs/dbraw/zinc/00/45/73/570004573.db2.gz DIEZCNAKBKPECY-OAHLLOKOSA-N 0 0 486.015 2.775 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000408666628 570004818 /nfs/dbraw/zinc/00/48/18/570004818.db2.gz RJEQOGIJUKJZCH-JOCHJYFZSA-N 0 0 486.480 2.862 40 0 JFABRN COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c(OC)c1 ZINC000408667491 570005437 /nfs/dbraw/zinc/00/54/37/570005437.db2.gz UERFVWICRWMMID-OALUTQOASA-N 0 0 464.474 2.955 40 0 JFABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225565282 570006049 /nfs/dbraw/zinc/00/60/49/570006049.db2.gz MJZRVQYBUOMIEH-UHFFFAOYSA-N 0 0 476.942 2.683 40 0 JFABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225565231 570006106 /nfs/dbraw/zinc/00/61/06/570006106.db2.gz WQGYIOVBQGBNFH-UHFFFAOYSA-N 0 0 476.942 2.683 40 0 JFABRN COc1ccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000225565908 570006161 /nfs/dbraw/zinc/00/61/61/570006161.db2.gz HJZZQGPNTHPKBA-UHFFFAOYSA-N 0 0 498.623 2.957 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1 ZINC000225572810 570006638 /nfs/dbraw/zinc/00/66/38/570006638.db2.gz KQXZOCYMPPRLIL-UHFFFAOYSA-N 0 0 456.524 2.802 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000408670204 570006927 /nfs/dbraw/zinc/00/69/27/570006927.db2.gz WWHAGOWRUYFVPI-BGYRXZFFSA-N 0 0 462.458 2.724 40 0 JFABRN Cc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225580679 570007254 /nfs/dbraw/zinc/00/72/54/570007254.db2.gz PJQKPNIRRNMZQD-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)c1 ZINC000408670800 570007283 /nfs/dbraw/zinc/00/72/83/570007283.db2.gz XGJDNSFNIPKVOZ-KDURUIRLSA-N 0 0 464.474 2.955 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000225581509 570007358 /nfs/dbraw/zinc/00/73/58/570007358.db2.gz GPROHRZPAJSZLE-KRWDZBQOSA-N 0 0 479.574 2.542 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225584023 570007523 /nfs/dbraw/zinc/00/75/23/570007523.db2.gz VKMGMPZBNFJXMZ-MRXNPFEDSA-N 0 0 467.538 2.673 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000408672332 570008242 /nfs/dbraw/zinc/00/82/42/570008242.db2.gz VUSALVUONIWCRW-KRWDZBQOSA-N 0 0 454.479 2.797 40 0 JFABRN Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3)C2)cc(C)c1Br ZINC000408672829 570008459 /nfs/dbraw/zinc/00/84/59/570008459.db2.gz XHDWZVOGYHXDIE-INIZCTEOSA-N 0 0 488.338 2.741 40 0 JFABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CCC(C(N)=O)CC1 ZINC000408675109 570009965 /nfs/dbraw/zinc/00/99/65/570009965.db2.gz GMGJSQQROSUXAS-UHFFFAOYSA-N 0 0 465.959 2.552 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225617906 570010068 /nfs/dbraw/zinc/01/00/68/570010068.db2.gz CWKKXHZGMXKBEM-UHFFFAOYSA-N 0 0 480.539 2.684 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225655337 570012648 /nfs/dbraw/zinc/01/26/48/570012648.db2.gz TZCKLZRTDNZBHU-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 ZINC000408682357 570012870 /nfs/dbraw/zinc/01/28/70/570012870.db2.gz XTJZUDOCYCNKIY-UHFFFAOYSA-N 0 0 462.524 2.753 40 0 JFABRN COc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225679146 570014242 /nfs/dbraw/zinc/01/42/42/570014242.db2.gz AVIGTKUWUHJVGH-KRWDZBQOSA-N 0 0 496.029 2.911 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225685123 570014632 /nfs/dbraw/zinc/01/46/32/570014632.db2.gz IELOKRCJXXKTCN-KRWDZBQOSA-N 0 0 481.565 2.920 40 0 JFABRN CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000225687426 570014734 /nfs/dbraw/zinc/01/47/34/570014734.db2.gz JXLJDUSCAQGTQX-FQEVSTJZSA-N 0 0 489.638 2.836 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1OC ZINC000408693486 570016107 /nfs/dbraw/zinc/01/61/07/570016107.db2.gz XAJSTTCEGBBYCL-UHFFFAOYSA-N 0 0 462.568 2.860 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C(C)C)CC2)cc1 ZINC000225710202 570016586 /nfs/dbraw/zinc/01/65/86/570016586.db2.gz YEXNSFBGDVMWOR-UHFFFAOYSA-N 0 0 495.648 2.648 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225710046 570016608 /nfs/dbraw/zinc/01/66/08/570016608.db2.gz PBIHBYSCQCCBPG-NRFANRHFSA-N 0 0 463.575 2.924 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225716062 570017063 /nfs/dbraw/zinc/01/70/63/570017063.db2.gz GOHFRCYVHNFJGB-NRFANRHFSA-N 0 0 485.606 2.943 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000408695755 570018117 /nfs/dbraw/zinc/01/81/17/570018117.db2.gz YGYJNNHSCJRRAA-UHFFFAOYSA-N 0 0 464.540 2.984 40 0 JFABRN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000225763800 570020674 /nfs/dbraw/zinc/02/06/74/570020674.db2.gz HEXSZIIIWVEAPG-UHFFFAOYSA-N 0 0 472.596 2.651 40 0 JFABRN COc1ccc(CCCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000225796313 570022084 /nfs/dbraw/zinc/02/20/84/570022084.db2.gz SRHKTSMGYJBJFW-UHFFFAOYSA-N 0 0 462.568 2.762 40 0 JFABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704551 570024147 /nfs/dbraw/zinc/02/41/47/570024147.db2.gz PMGCTWVVTVNVIP-MRXNPFEDSA-N 0 0 475.567 2.637 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(I)cc3)no2)cc1 ZINC000225839270 570024193 /nfs/dbraw/zinc/02/41/93/570024193.db2.gz JQIJDGPUIUSRJN-UHFFFAOYSA-N 0 0 498.302 2.560 40 0 JFABRN COC(=O)c1c2c(sc1NC(=O)[C@H](C)N(c1ccc3c(c1)OCCO3)S(C)(=O)=O)CCCC2 ZINC000408704768 570024212 /nfs/dbraw/zinc/02/42/12/570024212.db2.gz SNGAZLWJYDBVKW-ZDUSSCGKSA-N 0 0 494.591 2.978 40 0 JFABRN CCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)OCO2 ZINC000408705385 570024600 /nfs/dbraw/zinc/02/46/00/570024600.db2.gz DNJSLNXQWOACBX-UHFFFAOYSA-N 0 0 465.959 2.574 40 0 JFABRN CCS(=O)(=O)N(CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1)c1ccc2c(c1)OCO2 ZINC000408705498 570024687 /nfs/dbraw/zinc/02/46/87/570024687.db2.gz HCHMIWHJFJOPQK-UHFFFAOYSA-N 0 0 479.986 2.882 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)c2ccccc2O1 ZINC000225851281 570024844 /nfs/dbraw/zinc/02/48/44/570024844.db2.gz MYGDALMIZMLQSK-QGZVFWFLSA-N 0 0 460.533 2.878 40 0 JFABRN COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000408713284 570025486 /nfs/dbraw/zinc/02/54/86/570025486.db2.gz RLHMXIRJLBDFET-UHFFFAOYSA-N 0 0 465.959 2.778 40 0 JFABRN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1OC ZINC000408713734 570025585 /nfs/dbraw/zinc/02/55/85/570025585.db2.gz QYWIEVODCIBUBA-AWEZNQCLSA-N 0 0 452.504 2.891 40 0 JFABRN CCCN1c2ccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2S(=O)(=O)N=C1C ZINC000225866339 570025626 /nfs/dbraw/zinc/02/56/26/570025626.db2.gz JKOWJIHKOVTFDO-UHFFFAOYSA-N 0 0 478.596 2.835 40 0 JFABRN COc1ccc(-c2nnc(CN(C)C(=O)CCCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)o2)cc1OC ZINC000408714700 570025933 /nfs/dbraw/zinc/02/59/33/570025933.db2.gz VPBQNZPPVMGXCG-CALCHBBNSA-N 0 0 470.526 2.668 40 0 JFABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000225876869 570026125 /nfs/dbraw/zinc/02/61/25/570026125.db2.gz LCIYUEMICKDWBY-INIZCTEOSA-N 0 0 477.608 2.577 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)CN(c3ccc(OC)cc3OC)S(C)(=O)=O)s2)cc1 ZINC000225881551 570026262 /nfs/dbraw/zinc/02/62/62/570026262.db2.gz VMVXJXUTAKKJAE-UHFFFAOYSA-N 0 0 478.552 2.636 40 0 JFABRN COCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCc3ccccc3C2)n1 ZINC000225898915 570026585 /nfs/dbraw/zinc/02/65/85/570026585.db2.gz BWFMAFRYGYTVJM-UHFFFAOYSA-N 0 0 453.597 2.913 40 0 JFABRN S=C(NC[C@@H]1CCCO1)Nc1nc(N2CCCC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225906881 570026902 /nfs/dbraw/zinc/02/69/02/570026902.db2.gz ZHXQUFGGMTXLKG-FQEVSTJZSA-N 0 0 467.643 2.869 40 0 JFABRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)c1 ZINC000225920838 570027724 /nfs/dbraw/zinc/02/77/24/570027724.db2.gz QGBFNIPQVKBAHF-LJQANCHMSA-N 0 0 493.651 2.902 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N[C@H]1c1ccc(O)c(OC)c1 ZINC000408730241 570028923 /nfs/dbraw/zinc/02/89/23/570028923.db2.gz GEXFNTQKJBMAIS-AFHVAHMMSA-N 0 0 480.542 2.630 40 0 JFABRN CCOC(=O)c1cccc(-c2ccc(/C=c3\sc4n(c3=O)CC(C(=O)OCC)=C(C)N=4)o2)c1 ZINC000408735071 570030148 /nfs/dbraw/zinc/03/01/48/570030148.db2.gz NNQNYJWMPAUFAG-NDENLUEZSA-N 0 0 466.515 2.646 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000225997250 570031628 /nfs/dbraw/zinc/03/16/28/570031628.db2.gz IUQCZOGMUDLSII-DEOSSOPVSA-N 0 0 494.569 2.887 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc[nH]n2)Cc2ccc(Cl)cc2)cc1 ZINC000226001010 570031891 /nfs/dbraw/zinc/03/18/91/570031891.db2.gz SIPQRBAPWMKXLB-UHFFFAOYSA-N 0 0 480.015 2.866 40 0 JFABRN C[C@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 ZINC000226014675 570032863 /nfs/dbraw/zinc/03/28/63/570032863.db2.gz LBFLEUUQCSAWRQ-KRWDZBQOSA-N 0 0 484.626 2.950 40 0 JFABRN C[C@@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)C1 ZINC000226014633 570032878 /nfs/dbraw/zinc/03/28/78/570032878.db2.gz VJLNDVPDNMJKOL-QGZVFWFLSA-N 0 0 484.626 2.807 40 0 JFABRN Cc1ccc(CN(CC(=O)NCCSc2nc[nH]n2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000226017792 570033114 /nfs/dbraw/zinc/03/31/14/570033114.db2.gz BGPWLTCWHYOLGT-UHFFFAOYSA-N 0 0 480.015 2.866 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1 ZINC000226036002 570033606 /nfs/dbraw/zinc/03/36/06/570033606.db2.gz VBKHETGWSXEKCR-MRXNPFEDSA-N 0 0 473.334 2.581 40 0 JFABRN CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCCNc1ccnc2cc(Cl)ccc21 ZINC000226040317 570033720 /nfs/dbraw/zinc/03/37/20/570033720.db2.gz BURGJCZHHCNXGJ-UHFFFAOYSA-N 0 0 460.987 2.921 40 0 JFABRN CCOC(=O)C1(c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(OCC)cc3)cc2)CC1 ZINC000226044570 570033868 /nfs/dbraw/zinc/03/38/68/570033868.db2.gz MIUJEVHJWYDCGF-UHFFFAOYSA-N 0 0 460.552 2.939 40 0 JFABRN COc1ccc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1S(=O)(=O)NC(C)C ZINC000226045737 570034040 /nfs/dbraw/zinc/03/40/40/570034040.db2.gz JODQUSVFZXWBFM-UHFFFAOYSA-N 0 0 456.524 2.693 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000226047506 570034111 /nfs/dbraw/zinc/03/41/11/570034111.db2.gz BGZFTMBBNXEWOT-UHFFFAOYSA-N 0 0 454.932 2.713 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc3C)c2)n1 ZINC000226053487 570034581 /nfs/dbraw/zinc/03/45/81/570034581.db2.gz LBNLRKOPWSRQTN-UHFFFAOYSA-N 0 0 482.562 2.856 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2c(OC)cccc2OC)cc1Cl ZINC000226061436 570035158 /nfs/dbraw/zinc/03/51/58/570035158.db2.gz PAGKTYVFTIHVDU-UHFFFAOYSA-N 0 0 456.948 2.693 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000226065686 570035325 /nfs/dbraw/zinc/03/53/25/570035325.db2.gz HMCZLYMQRUSVNZ-UHFFFAOYSA-N 0 0 486.974 2.654 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 ZINC000226076552 570036163 /nfs/dbraw/zinc/03/61/63/570036163.db2.gz RKDLVVVTOPLMKE-UHFFFAOYSA-N 0 0 493.651 2.868 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 ZINC000226078048 570036261 /nfs/dbraw/zinc/03/62/61/570036261.db2.gz IXGGDAXZDGIBFJ-OAHLLOKOSA-N 0 0 486.015 2.596 40 0 JFABRN COc1cccc(OC)c1CNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000226081063 570036519 /nfs/dbraw/zinc/03/65/19/570036519.db2.gz LVKNJWMPRZIOOA-UHFFFAOYSA-N 0 0 462.568 2.738 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3c(OC)cccc3OC)CC2)cc1C ZINC000226080383 570036525 /nfs/dbraw/zinc/03/65/25/570036525.db2.gz LNJHTGZHQULDDL-UHFFFAOYSA-N 0 0 462.568 2.738 40 0 JFABRN C[C@@H]1Cc2cccc3c2n1cc(C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c3=O ZINC000226093885 570037187 /nfs/dbraw/zinc/03/71/87/570037187.db2.gz LYFAKRLKBXRMEI-QGZVFWFLSA-N 0 0 465.575 2.876 40 0 JFABRN CC[C@@H](C)NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 ZINC000408777531 570040560 /nfs/dbraw/zinc/04/05/60/570040560.db2.gz BKSAGHXIZRZGIP-QGZVFWFLSA-N 0 0 456.568 2.594 40 0 JFABRN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCN1C(=O)S/C(=C/c3ccccc3Cl)C1=O)CS2 ZINC000229572617 570040645 /nfs/dbraw/zinc/04/06/45/570040645.db2.gz XZZGSDICZHXPAY-KRTQQXTASA-N 0 0 465.984 2.947 40 0 JFABRN COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000229942941 570042658 /nfs/dbraw/zinc/04/26/58/570042658.db2.gz BYCNFUAPZHZIRN-DVAKJLRASA-N 0 0 486.480 2.640 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408808829 570048503 /nfs/dbraw/zinc/04/85/03/570048503.db2.gz GEPUFXIFDZWUJL-CNSVBDKNSA-N 0 0 480.517 2.724 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408823038 570052200 /nfs/dbraw/zinc/05/22/00/570052200.db2.gz DFANQBUAQAWCQI-WVWKGNOCSA-N 0 0 494.569 2.830 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(Cc2cccnc2)C(=O)[C@H]2[C@H](C(=O)Nc3ccccc3F)[C@@]3(C)C=C[C@@]12O3 ZINC000245229640 570056061 /nfs/dbraw/zinc/05/60/61/570056061.db2.gz CHVLMVOAOQLBBG-WOSPUIJPSA-N 0 0 492.551 2.815 40 0 JFABRN C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N(C[C@@H]1CCCO1)[C@H]3C(=O)NC1CCCCC1)[C@H]2C(=O)Nc1ccccc1 ZINC000245229943 570056261 /nfs/dbraw/zinc/05/62/61/570056261.db2.gz IQXXIQQEQWOUFK-ZXGSZYPJSA-N 0 0 493.604 2.794 40 0 JFABRN C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N(C[C@@H]1CCCO1)[C@H]3C(=O)NC1CCCCC1)[C@@H]2C(=O)Nc1ccccc1 ZINC000245229941 570056265 /nfs/dbraw/zinc/05/62/65/570056265.db2.gz IQXXIQQEQWOUFK-AIVPMWHISA-N 0 0 493.604 2.794 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000245230379 570056515 /nfs/dbraw/zinc/05/65/15/570056515.db2.gz QGKJXAMFYPSPLC-UXGLMHHASA-N 0 0 496.585 2.881 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(c2ccccc2)C(=O)[C@@H]2[C@H](C(=O)NCc3cccs3)[C@H]3C=C[C@@]12O3 ZINC000245230654 570056618 /nfs/dbraw/zinc/05/66/18/570056618.db2.gz WBERAOVVTLXGMQ-CIICBDETSA-N 0 0 465.575 2.634 40 0 JFABRN CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F ZINC000245240546 570058109 /nfs/dbraw/zinc/05/81/09/570058109.db2.gz QANCMLFPWRPMBF-UKCJKJFHSA-N 0 0 487.393 2.542 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408867921 570058588 /nfs/dbraw/zinc/05/85/88/570058588.db2.gz MNWOIBWGTHIGCZ-FBHQFGEZSA-N 0 0 479.558 2.837 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(F)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408873677 570060486 /nfs/dbraw/zinc/06/04/86/570060486.db2.gz URWLQJNWZAJWGN-CNSVBDKNSA-N 0 0 467.522 2.967 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408881167 570062810 /nfs/dbraw/zinc/06/28/10/570062810.db2.gz JZLYVJJFBRDMFN-PZHBDVNGSA-N 0 0 479.558 2.837 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000408914432 570074567 /nfs/dbraw/zinc/07/45/67/570074567.db2.gz PUWKQDGNJOYJSS-UHFFFAOYSA-N 0 0 487.603 2.515 40 0 JFABRN COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 ZINC000408924056 570077997 /nfs/dbraw/zinc/07/79/97/570077997.db2.gz NDJMWUNKHXELQF-UHFFFAOYSA-N 0 0 455.330 2.949 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000408925642 570078455 /nfs/dbraw/zinc/07/84/55/570078455.db2.gz VHSMAYNLCQCPQI-UHFFFAOYSA-N 0 0 459.549 2.892 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4)c(=O)n32)cc1OCC ZINC000408933717 570080823 /nfs/dbraw/zinc/08/08/23/570080823.db2.gz KIUXIEWEGYDFHD-WCCCRJGXSA-N 0 0 464.543 2.816 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc(O)c4)c(=O)n32)cc1OCC ZINC000408941353 570082622 /nfs/dbraw/zinc/08/26/22/570082622.db2.gz VPWKKHHQVPQDRH-BYUJNSPJSA-N 0 0 480.542 2.521 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000409005675 570097775 /nfs/dbraw/zinc/09/77/75/570097775.db2.gz JJOQRWGZSWVPQO-UHFFFAOYSA-N 0 0 488.606 2.730 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000409006089 570098039 /nfs/dbraw/zinc/09/80/39/570098039.db2.gz LUNHNGASIWWTMR-UHFFFAOYSA-N 0 0 474.579 2.688 40 0 JFABRN Cc1cc(C)c2cc(CN(Cc3nnnn3C[C@H]3CCCO3)C[C@H]3CCCO3)c(=O)[nH]c2c1 ZINC000253499319 570100883 /nfs/dbraw/zinc/10/08/83/570100883.db2.gz YGKFXZLZGALUDQ-WOJBJXKFSA-N 0 0 452.559 2.904 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409024003 570103817 /nfs/dbraw/zinc/10/38/17/570103817.db2.gz GRTMANAMZXMQAX-UHFFFAOYSA-N 0 0 453.520 2.937 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccccc3OC(C)=O)sc2=N1 ZINC000409032627 570106062 /nfs/dbraw/zinc/10/60/62/570106062.db2.gz KCTZVGQSGAUKGR-FGGAIWKESA-N 0 0 462.527 2.724 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(C(=O)OC)cc3)sc2=N1 ZINC000409034012 570106233 /nfs/dbraw/zinc/10/62/33/570106233.db2.gz MXIKLGNSEYOAQP-PHJXOXRPSA-N 0 0 462.527 2.585 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccnc4)c(=O)n32)cc1 ZINC000409037311 570106838 /nfs/dbraw/zinc/10/68/38/570106838.db2.gz MVVHJJMJFDLSAS-WVWKGNOCSA-N 0 0 463.559 2.981 40 0 JFABRN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000257199121 570107512 /nfs/dbraw/zinc/10/75/12/570107512.db2.gz TZKUNWORDUJJNT-DFXHWTJYSA-N 0 0 480.524 2.609 40 0 JFABRN CN1CCN(C(=O)C[C@H]2CN(C(=O)c3ccnc(N4CCCC4)c3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257200158 570107694 /nfs/dbraw/zinc/10/76/94/570107694.db2.gz ACFNXWBGUKAIDX-ZCYQVOJMSA-N 0 0 491.636 2.756 40 0 JFABRN O=C(C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1Oc1cccc(Br)c1)N1CCOCC1 ZINC000257200582 570107876 /nfs/dbraw/zinc/10/78/76/570107876.db2.gz ADXHTHHLZKTYCV-RXVVDRJESA-N 0 0 495.414 2.721 40 0 JFABRN O=C(c1ccccc1OCCN1CCCC1=O)N1CCOC[C@@H](Cc2cccc3n[nH]cc32)C1 ZINC000257200901 570108076 /nfs/dbraw/zinc/10/80/76/570108076.db2.gz AFHLIVQUXHLVNV-IBGZPJMESA-N 0 0 462.550 2.895 40 0 JFABRN NC(=O)C[C@@]1(COc2cccc(Cl)c2)CN(Cc2cnc(N3CCCCC3)nc2)CCO1 ZINC000257202118 570108457 /nfs/dbraw/zinc/10/84/57/570108457.db2.gz AKODLWPCXVOTIQ-QHCPKHFHSA-N 0 0 459.978 2.646 40 0 JFABRN Cn1nccc1C(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257208452 570110508 /nfs/dbraw/zinc/11/05/08/570110508.db2.gz BMEVMEZSLZJNBV-XMMPIXPASA-N 0 0 474.005 2.539 40 0 JFABRN CC(C)(NC(=O)Cc1ccc(F)cc1)C(=O)N1CCOC[C@H](Cc2ccc3cc[nH]c3n2)C1 ZINC000257216116 570112855 /nfs/dbraw/zinc/11/28/55/570112855.db2.gz CTECJRDRQNCUFW-GOSISDBHSA-N 0 0 452.530 2.857 40 0 JFABRN CCCn1c2ccc(NC(=O)CN3CCN(C(C)=O)[C@@H](c4ccccc4OC)C3)cc2oc1=O ZINC000257215989 570112866 /nfs/dbraw/zinc/11/28/66/570112866.db2.gz CSOVUMSTKCSQSV-OAQYLSRUSA-N 0 0 466.538 2.857 40 0 JFABRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1 ZINC000409059008 570113126 /nfs/dbraw/zinc/11/31/26/570113126.db2.gz QFZDIICAGSQMIP-YVLHZVERSA-N 0 0 472.519 2.869 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2cccc(C)c2)cc1 ZINC000409062970 570115319 /nfs/dbraw/zinc/11/53/19/570115319.db2.gz DSLOQWRBVOHMKA-UHFFFAOYSA-N 0 0 487.603 2.780 40 0 JFABRN Cc1ncoc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1 ZINC000257225676 570115816 /nfs/dbraw/zinc/11/58/16/570115816.db2.gz FHHGDOZPPTUXDE-LWSSLDFYSA-N 0 0 480.540 2.624 40 0 JFABRN O=C(C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CC[C@@H]1Oc1ccccc1)N1CCOCC1 ZINC000257227271 570116334 /nfs/dbraw/zinc/11/63/34/570116334.db2.gz FOKPGVXHSRFOGP-FPOVZHCZSA-N 0 0 452.507 2.574 40 0 JFABRN Cn1nccc1C(=O)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)CC1 ZINC000257234213 570118259 /nfs/dbraw/zinc/11/82/59/570118259.db2.gz GSPGZKWBJWFXAN-UHFFFAOYSA-N 0 0 460.962 2.624 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@@H]3CCN(C(=O)c4c(F)cccc4F)C3)n2)n[nH]1 ZINC000257236129 570118987 /nfs/dbraw/zinc/11/89/87/570118987.db2.gz HAXPXNNORQJOIA-KRWDZBQOSA-N 0 0 496.566 2.987 40 0 JFABRN CC(=O)N(C)[C@H]1CC2(CC[NH+](Cc3ccc(C(C)(C)C)cc3OCC(=O)[O-])CC2)OC[C@]1(C)O ZINC000257237837 570119523 /nfs/dbraw/zinc/11/95/23/570119523.db2.gz HIKISJVWUYSAKQ-DHLKQENFSA-N 0 0 476.614 2.800 40 0 JFABRN Cn1c(CNC(=O)CN2CCOC[C@@]3(CN(c4ccc(Cl)cc4)C(=O)O3)C2)nc2ccccc21 ZINC000257238141 570119612 /nfs/dbraw/zinc/11/96/12/570119612.db2.gz HJUDUUDBVDJEOD-DEOSSOPVSA-N 0 0 483.956 2.571 40 0 JFABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4ccc(C)cc4)CCOCC3)CCN2C(C)=O)c1 ZINC000257238687 570119770 /nfs/dbraw/zinc/11/97/70/570119770.db2.gz HMBMQTHMUUGWKQ-DEOSSOPVSA-N 0 0 463.578 2.835 40 0 JFABRN CCc1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)on1 ZINC000257240236 570120257 /nfs/dbraw/zinc/12/02/57/570120257.db2.gz HSRCVOPQGPGJLI-UWJYYQICSA-N 0 0 474.989 2.964 40 0 JFABRN COCc1cccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)c1 ZINC000257240950 570120551 /nfs/dbraw/zinc/12/05/51/570120551.db2.gz HVVOMCZFOWSSED-UPVQGACJSA-N 0 0 452.551 2.992 40 0 JFABRN COc1ccc(NC(C)=O)cc1CNC(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(C)=O ZINC000257257327 570125387 /nfs/dbraw/zinc/12/53/87/570125387.db2.gz KPBHLNORKKUAQF-UBFVSLLYSA-N 0 0 478.593 2.606 40 0 JFABRN Cc1cc(O)cc(=O)n1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000257257987 570125675 /nfs/dbraw/zinc/12/56/75/570125675.db2.gz KRXJACDKNQUEAU-QHCPKHFHSA-N 0 0 469.557 2.864 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409095428 570126418 /nfs/dbraw/zinc/12/64/18/570126418.db2.gz HVLWCAWQCBVCGT-VOSMRYOYSA-N 0 0 462.575 2.507 40 0 JFABRN CN(C[C@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)COc1ccc(C[NH+]2CCCC2)cc1 ZINC000257267005 570128573 /nfs/dbraw/zinc/12/85/73/570128573.db2.gz MFNOPENBYFZNGU-HHHXNRCGSA-N 0 0 475.593 2.704 40 0 JFABRN Cc1ncccc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257267626 570128871 /nfs/dbraw/zinc/12/88/71/570128871.db2.gz MICUJSPYEBVUDF-CVDCTZTESA-N 0 0 454.546 2.603 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409103024 570129061 /nfs/dbraw/zinc/12/90/61/570129061.db2.gz CNOBRVHZVUVELC-QDUHJBTASA-N 0 0 462.575 2.507 40 0 JFABRN COc1ccc(Nc2ncccc2C(=O)N2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257275248 570131183 /nfs/dbraw/zinc/13/11/83/570131183.db2.gz NONOIZADLGQOIN-DQEYMECFSA-N 0 0 473.577 2.841 40 0 JFABRN Cc1c(NC(=O)CN2CCCC[C@@H]2c2nc(C)cc(Oc3ccc(C(N)=O)cc3)n2)cnn1C ZINC000257275005 570131200 /nfs/dbraw/zinc/13/12/00/570131200.db2.gz NNOUFPUFVRMHQH-HXUWFJFHSA-N 0 0 463.542 2.884 40 0 JFABRN CC(C)(NC(=O)Cc1cccc(F)c1)C(=O)N1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257277483 570131884 /nfs/dbraw/zinc/13/18/84/570131884.db2.gz NYDHHMZIOBLHOV-LJQANCHMSA-N 0 0 452.530 2.628 40 0 JFABRN COc1ccc(C2(C(=O)N3CCC[C@](C(=O)N(C)C)(c4ccccn4)C3)CCOCC2)cc1 ZINC000257277886 570132043 /nfs/dbraw/zinc/13/20/43/570132043.db2.gz NZXHDHFSCWBXCZ-AREMUKBSSA-N 0 0 451.567 2.787 40 0 JFABRN COc1ccc(C[N@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)Cc2cc(C)no2)cc1 ZINC000257282373 570133410 /nfs/dbraw/zinc/13/34/10/570133410.db2.gz OTNFZCPMZTWXGH-OSNGURLVSA-N 0 0 483.540 2.871 40 0 JFABRN CC(=O)N(C)[C@H]1CC2(CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)OC[C@]1(C)O ZINC000257282925 570133541 /nfs/dbraw/zinc/13/35/41/570133541.db2.gz OVXDBZMRBIPFBF-UGKGYDQZSA-N 0 0 452.979 2.715 40 0 JFABRN COc1cc(CN2CCOC[C@@](O)(COc3cccc(C)c3)C2)ccc1OCCn1ccnc1 ZINC000257285056 570134194 /nfs/dbraw/zinc/13/41/94/570134194.db2.gz PFLCKGSHOXNDEF-AREMUKBSSA-N 0 0 467.566 2.921 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000409116312 570134268 /nfs/dbraw/zinc/13/42/68/570134268.db2.gz NIYHUSYFLGAURL-OAHLLOKOSA-N 0 0 463.556 2.637 40 0 JFABRN Cn1cc(-c2cc(C(=O)N3CCCC[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@H]43)ccn2)cn1 ZINC000257288962 570135286 /nfs/dbraw/zinc/13/52/86/570135286.db2.gz PWLBXAXAJXLMNY-WMZHIEFXSA-N 0 0 465.579 2.798 40 0 JFABRN CNc1nc([C@H]2CCCCN2C(=O)CCn2ncc3ccccc32)nc2c1CCN(C(C)=O)C2 ZINC000257289380 570135399 /nfs/dbraw/zinc/13/53/99/570135399.db2.gz PYIXMLYLZAOZOC-JOCHJYFZSA-N 0 0 461.570 2.917 40 0 JFABRN CC(=O)N1CCN(CC(=O)NCc2nc3ccccc3n2C)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257295786 570137169 /nfs/dbraw/zinc/13/71/69/570137169.db2.gz QZWBJAMBMISHKB-NRFANRHFSA-N 0 0 484.604 2.761 40 0 JFABRN CCn1nc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cc1C ZINC000257301416 570138962 /nfs/dbraw/zinc/13/89/62/570138962.db2.gz RYJHPHAPIUNDKJ-CVDCTZTESA-N 0 0 488.032 2.939 40 0 JFABRN CC(C)Cc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)n(C)n1 ZINC000257303105 570139337 /nfs/dbraw/zinc/13/93/37/570139337.db2.gz SFUCGPBJZNIDLF-OFVILXPXSA-N 0 0 481.641 2.692 40 0 JFABRN Cn1c2ccc(NC(=O)CN3CC[C@]4(CCCO4)[C@@H](OCc4ccccc4)C3)cc2n(C)c1=O ZINC000257304304 570139590 /nfs/dbraw/zinc/13/95/90/570139590.db2.gz SKZBFHRUHAFSRA-JYFHCDHNSA-N 0 0 464.566 2.656 40 0 JFABRN COc1ccc(C)cc1NC(=O)CN1CC[C@@]2(NC(C)=O)CN(C(C)=O)[C@H](c3ccccc3)[C@H]2C1 ZINC000257309111 570140971 /nfs/dbraw/zinc/14/09/71/570140971.db2.gz TZOPLLJDMHIWKK-GDKKVTFASA-N 0 0 478.593 2.742 40 0 JFABRN COc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(N)=O)cc1NCc1ccncc1 ZINC000257311984 570142105 /nfs/dbraw/zinc/14/21/05/570142105.db2.gz ULXCXMMIAABLHZ-HSZRJFAPSA-N 0 0 459.550 2.514 40 0 JFABRN CCc1noc(CCC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCOCC3)C2)n1 ZINC000257313287 570142481 /nfs/dbraw/zinc/14/24/81/570142481.db2.gz URRNUJVOGPEYFI-PXNSSMCTSA-N 0 0 490.988 2.763 40 0 JFABRN CN1C(=O)c2ccccc2OCCCCC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000257316368 570143305 /nfs/dbraw/zinc/14/33/05/570143305.db2.gz VFHGHIBJDNNBHD-SFTDATJTSA-N 0 0 496.608 2.936 40 0 JFABRN CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)oc(=O)n3C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000257316100 570143339 /nfs/dbraw/zinc/14/33/39/570143339.db2.gz VEDBPBKSGKEAIK-IBGZPJMESA-N 0 0 476.455 2.994 40 0 JFABRN O=C(CCN1C(=O)COCC1=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257319278 570144238 /nfs/dbraw/zinc/14/42/38/570144238.db2.gz VRRZEHZUPVEOFP-KRWDZBQOSA-N 0 0 464.444 2.925 40 0 JFABRN O=C(COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1)Nc1ccccc1 ZINC000409141435 570144822 /nfs/dbraw/zinc/14/48/22/570144822.db2.gz IOADNYUNXTWIGW-XSFVSMFZSA-N 0 0 481.530 2.599 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@]3(CO)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)cc1 ZINC000257326113 570146286 /nfs/dbraw/zinc/14/62/86/570146286.db2.gz WVWJVENFRAYHJQ-HOTKZRPMSA-N 0 0 461.580 2.581 40 0 JFABRN COc1ccc(C2=NO[C@](C)(C(=O)N3CCC[C@](C(=O)N(C)C)(c4ccccn4)C3)C2)cc1 ZINC000257327675 570146748 /nfs/dbraw/zinc/14/67/48/570146748.db2.gz XCFYOQUFEYCACL-LOSJGSFVSA-N 0 0 450.539 2.622 40 0 JFABRN NC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000409147376 570147659 /nfs/dbraw/zinc/14/76/59/570147659.db2.gz WEEUJJVDGZWALL-NVMNQCDNSA-N 0 0 452.467 2.941 40 0 JFABRN CNC(=O)[C@@H]1CN(C(=O)c2cccnc2Nc2cccc(OC)c2)CCN1Cc1ccccc1 ZINC000257330301 570147724 /nfs/dbraw/zinc/14/77/24/570147724.db2.gz XNTWULBWZQHBHI-QHCPKHFHSA-N 0 0 459.550 2.906 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000409148238 570148058 /nfs/dbraw/zinc/14/80/58/570148058.db2.gz YPQVBWIRRLCFEE-OAHLLOKOSA-N 0 0 463.556 2.637 40 0 JFABRN C[N@H+](CCc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)CCC(=O)[O-] ZINC000257334264 570148820 /nfs/dbraw/zinc/14/88/20/570148820.db2.gz YFEUJOYFGSOMEX-YKBLPDKLSA-N 0 0 460.958 2.745 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)c1 ZINC000409150598 570149034 /nfs/dbraw/zinc/14/90/34/570149034.db2.gz CVOOXUUYQFAKOJ-UHFFFAOYSA-N 0 0 467.551 2.961 40 0 JFABRN CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4ccccc4F)CCOCC3)CCN2C(C)=O)c1 ZINC000257336061 570149331 /nfs/dbraw/zinc/14/93/31/570149331.db2.gz YMZWIOLATAECOE-HSZRJFAPSA-N 0 0 467.541 2.666 40 0 JFABRN O=C(c1cccc(OCCN2CCOCC2)c1)N1CCC[C@@H](Cc2cn3ccnc3cn2)CC1 ZINC000257336368 570149451 /nfs/dbraw/zinc/14/94/51/570149451.db2.gz YOCGYDOYYZIHCT-OAQYLSRUSA-N 0 0 463.582 2.925 40 0 JFABRN Cc1ccccc1C(=O)NCc1nn(CC(=O)N2CCN(c3ccccc3)CC2)c(=S)n1C ZINC000409153419 570149787 /nfs/dbraw/zinc/14/97/87/570149787.db2.gz HXXSIMLMXGXMCK-UHFFFAOYSA-N 0 0 464.595 2.538 40 0 JFABRN CC(=O)NC1(CC(=O)N2CCO[C@H](c3cc(Nc4cc(C)[nH]n4)nc(C)n3)C2)CCCCC1 ZINC000257342744 570151146 /nfs/dbraw/zinc/15/11/46/570151146.db2.gz ZPZRRQRGMIQJBJ-IBGZPJMESA-N 0 0 455.563 2.689 40 0 JFABRN Cc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260704220 570154643 /nfs/dbraw/zinc/15/46/43/570154643.db2.gz AFHOHIDKEBEYLW-HXUWFJFHSA-N 0 0 459.612 2.866 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 ZINC000260713450 570154970 /nfs/dbraw/zinc/15/49/70/570154970.db2.gz DHKVDABYTSJPDV-MRXNPFEDSA-N 0 0 497.564 2.681 40 0 JFABRN CN(CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccco1)c1ccccc1)S(C)(=O)=O ZINC000260726616 570155379 /nfs/dbraw/zinc/15/53/79/570155379.db2.gz ZFUNDOQCPWLWHI-QHCPKHFHSA-N 0 0 469.563 2.557 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3F)C2)cc1OC ZINC000260734065 570155648 /nfs/dbraw/zinc/15/56/48/570155648.db2.gz FUAODKXEMDGIKJ-KRWDZBQOSA-N 0 0 450.532 2.902 40 0 JFABRN C[C@H]1CCCN(c2cc(N3CCC[C@H](C)C3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000260739822 570155808 /nfs/dbraw/zinc/15/58/08/570155808.db2.gz PRKRXYBQMFDXIK-OALUTQOASA-N 0 0 461.680 2.568 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3c(OC)cccc3OC)C2)cc1C ZINC000260740247 570155896 /nfs/dbraw/zinc/15/58/96/570155896.db2.gz MMQPMHUFMPWRAC-KRWDZBQOSA-N 0 0 462.568 2.738 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000260761376 570157051 /nfs/dbraw/zinc/15/70/51/570157051.db2.gz DFYDBPSDCQOQPN-LJQANCHMSA-N 0 0 487.622 2.937 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C ZINC000260764567 570157252 /nfs/dbraw/zinc/15/72/52/570157252.db2.gz UNWVNLJTSZOFOU-HXUWFJFHSA-N 0 0 474.627 2.550 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCN1c2ccccc2C[C@H]1C ZINC000260767365 570157356 /nfs/dbraw/zinc/15/73/56/570157356.db2.gz NDXJXKZAYQGIKC-GOSISDBHSA-N 0 0 459.612 2.836 40 0 JFABRN CC[C@H](NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000260770354 570157569 /nfs/dbraw/zinc/15/75/69/570157569.db2.gz RXUWTKJWWIHFLB-DJJJIMSYSA-N 0 0 474.551 2.790 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000260794914 570158222 /nfs/dbraw/zinc/15/82/22/570158222.db2.gz OEYMRZAMVVKXNW-QGZVFWFLSA-N 0 0 493.601 2.932 40 0 JFABRN CS(=O)(=O)CC[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409183807 570160267 /nfs/dbraw/zinc/16/02/67/570160267.db2.gz UZUIKQZNWDXEFT-QGZVFWFLSA-N 0 0 498.340 2.819 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](CC)C(=O)NC)S(C)(=O)=O ZINC000260858290 570161007 /nfs/dbraw/zinc/16/10/07/570161007.db2.gz MYZWNOGMNDXHHM-HXUWFJFHSA-N 0 0 475.611 2.713 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC)S(C)(=O)=O ZINC000260858257 570161023 /nfs/dbraw/zinc/16/10/23/570161023.db2.gz MLXQJOMDVCWTNX-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN Cc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000260858505 570161049 /nfs/dbraw/zinc/16/10/49/570161049.db2.gz AJYLGIOALNZIKD-OAQYLSRUSA-N 0 0 473.639 2.993 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000260865974 570161209 /nfs/dbraw/zinc/16/12/09/570161209.db2.gz CYOKWRATCIVYEE-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260868320 570161278 /nfs/dbraw/zinc/16/12/78/570161278.db2.gz DFKBAUHCQSLXKG-OAQYLSRUSA-N 0 0 488.654 2.797 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000260888144 570161711 /nfs/dbraw/zinc/16/17/11/570161711.db2.gz IDWKRICXOVVMRV-QGZVFWFLSA-N 0 0 496.029 2.652 40 0 JFABRN COc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000260890442 570161957 /nfs/dbraw/zinc/16/19/57/570161957.db2.gz DDUGFKSNLIBHCH-SJORKVTESA-N 0 0 450.532 2.819 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000260892364 570162043 /nfs/dbraw/zinc/16/20/43/570162043.db2.gz DAXQKYKDINIXES-ROUUACIJSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000260892360 570162080 /nfs/dbraw/zinc/16/20/80/570162080.db2.gz DAXQKYKDINIXES-MSOLQXFVSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000260893038 570162185 /nfs/dbraw/zinc/16/21/85/570162185.db2.gz GGYITFAGQPKATP-RXVVDRJESA-N 0 0 464.609 2.758 40 0 JFABRN COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000409191953 570162282 /nfs/dbraw/zinc/16/22/82/570162282.db2.gz QXVNLEADSPPTTI-UHFFFAOYSA-N 0 0 454.504 2.969 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3CN3CCOCC3)C2)cc1 ZINC000260897413 570162441 /nfs/dbraw/zinc/16/24/41/570162441.db2.gz INSBYAFBBSTINJ-QHCPKHFHSA-N 0 0 471.623 2.544 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)C2)cc1 ZINC000260903829 570163048 /nfs/dbraw/zinc/16/30/48/570163048.db2.gz QLCPMPLHNUDHIX-WOJBJXKFSA-N 0 0 485.606 2.943 40 0 JFABRN C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000260910269 570163284 /nfs/dbraw/zinc/16/32/84/570163284.db2.gz XOENMSFYRQZXSU-CJNGLKHVSA-N 0 0 458.458 2.816 40 0 JFABRN COc1ccc(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(=O)(=O)c2ccccc2)cc1 ZINC000260910341 570163343 /nfs/dbraw/zinc/16/33/43/570163343.db2.gz YATZEOOQKNBMMR-FQEVSTJZSA-N 0 0 468.531 2.847 40 0 JFABRN C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000260910266 570163357 /nfs/dbraw/zinc/16/33/57/570163357.db2.gz XOENMSFYRQZXSU-BBRMVZONSA-N 0 0 458.458 2.816 40 0 JFABRN CC[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000260912637 570163552 /nfs/dbraw/zinc/16/35/52/570163552.db2.gz BGGWRFVMCIKZDX-QRWLVFNGSA-N 0 0 468.597 2.521 40 0 JFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000409198126 570164150 /nfs/dbraw/zinc/16/41/50/570164150.db2.gz XSNSPVITTXPEHA-MRXNPFEDSA-N 0 0 450.557 2.518 40 0 JFABRN COc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260923973 570164496 /nfs/dbraw/zinc/16/44/96/570164496.db2.gz UTXIFADGQWQNLC-HXUWFJFHSA-N 0 0 489.638 2.693 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260934237 570165205 /nfs/dbraw/zinc/16/52/05/570165205.db2.gz YBQNPMNXZXUKAJ-HXUWFJFHSA-N 0 0 459.612 2.951 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000260936303 570165316 /nfs/dbraw/zinc/16/53/16/570165316.db2.gz YIBOLGILSKROSU-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000260937244 570165321 /nfs/dbraw/zinc/16/53/21/570165321.db2.gz PSVGIYPRSVXMQL-IFXJQAMLSA-N 0 0 471.000 2.774 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260939416 570165526 /nfs/dbraw/zinc/16/55/26/570165526.db2.gz NWFSQVGRHAOXMI-LJQANCHMSA-N 0 0 477.602 2.944 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000260939177 570165572 /nfs/dbraw/zinc/16/55/72/570165572.db2.gz QOEWJLGNHZYKKY-IEBWSBKVSA-N 0 0 464.609 2.677 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1OC ZINC000260945339 570165762 /nfs/dbraw/zinc/16/57/62/570165762.db2.gz UKFVPXGMFVIEAT-QGZVFWFLSA-N 0 0 450.557 2.670 40 0 JFABRN Cc1ccc(C)c(N([C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000260949452 570166036 /nfs/dbraw/zinc/16/60/36/570166036.db2.gz XEVLSRDVKOYCBE-IAGOWNOFSA-N 0 0 452.598 2.739 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000260953783 570166315 /nfs/dbraw/zinc/16/63/15/570166315.db2.gz KECAADIXHXTHKT-ROUUACIJSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000260983976 570166517 /nfs/dbraw/zinc/16/65/17/570166517.db2.gz OQEDSJXVCSSEGF-OALUTQOASA-N 0 0 475.611 2.793 40 0 JFABRN COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000409203580 570166518 /nfs/dbraw/zinc/16/65/18/570166518.db2.gz XUZARAOBIAVCBQ-GRSHGNNSSA-N 0 0 484.486 2.685 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000261002283 570166655 /nfs/dbraw/zinc/16/66/55/570166655.db2.gz RUOHXDJGHVXRBJ-RTWAWAEBSA-N 0 0 488.654 2.674 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000261027951 570166885 /nfs/dbraw/zinc/16/68/85/570166885.db2.gz WRKXXPLULOZZKH-MSOLQXFVSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000261019265 570166896 /nfs/dbraw/zinc/16/68/96/570166896.db2.gz VVLTUGHQLPBIAH-RTWAWAEBSA-N 0 0 473.639 2.990 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000409207577 570167820 /nfs/dbraw/zinc/16/78/20/570167820.db2.gz WWUBOQWCYAXGHW-UHFFFAOYSA-N 0 0 465.597 2.516 40 0 JFABRN O=C(CN1C(=O)N/C(=C/c2ccc(I)cc2)C1=O)Nc1ccccc1F ZINC000409215009 570171980 /nfs/dbraw/zinc/17/19/80/570171980.db2.gz ZCAPNDLVTSKEQK-OQLLNIDSSA-N 0 0 465.222 2.962 40 0 JFABRN Cc1cc(I)ccc1NC(=O)COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 ZINC000409218124 570173451 /nfs/dbraw/zinc/17/34/51/570173451.db2.gz CXNDZPDMLOONJY-UHFFFAOYSA-N 0 0 490.253 2.825 40 0 JFABRN Cc1ccc(N2CCN(C(=O)c3nc([C@H]4CCCN(S(C)(=O)=O)C4)n4ccccc34)CC2)cc1 ZINC000306134332 570178381 /nfs/dbraw/zinc/17/83/81/570178381.db2.gz NJILHRKHEOIRIJ-FQEVSTJZSA-N 0 0 481.622 2.744 40 0 JFABRN CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc1 ZINC000409241200 570181985 /nfs/dbraw/zinc/18/19/85/570181985.db2.gz SAAFPWKIFHBNSO-DEDYPNTBSA-N 0 0 451.479 2.722 40 0 JFABRN CCCCCNC(=O)COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000409252453 570186222 /nfs/dbraw/zinc/18/62/22/570186222.db2.gz RXSFGSWJVBCHGB-UHFFFAOYSA-N 0 0 464.584 2.910 40 0 JFABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)C1=O ZINC000408549644 570194701 /nfs/dbraw/zinc/19/47/01/570194701.db2.gz WDHSRBABXHBZCT-LICLKQGHSA-N 0 0 457.870 2.732 40 0 JFABRN CC[C@H](C)Oc1c(I)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC ZINC000408549601 570194739 /nfs/dbraw/zinc/19/47/39/570194739.db2.gz VNRHJPFVRJVOHF-JLATVTFTSA-N 0 0 488.278 2.543 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000409302395 570197156 /nfs/dbraw/zinc/19/71/56/570197156.db2.gz INJZRGATCJOYLE-UHFFFAOYSA-N 0 0 489.333 2.971 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)cc1OC ZINC000408557739 570198482 /nfs/dbraw/zinc/19/84/82/570198482.db2.gz HQJKKGSMYVSTOB-GOSISDBHSA-N 0 0 491.585 2.592 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)CC1 ZINC000408561651 570201233 /nfs/dbraw/zinc/20/12/33/570201233.db2.gz UPHVZJJGISFTDO-HXUWFJFHSA-N 0 0 450.601 2.814 40 0 JFABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000408561848 570201358 /nfs/dbraw/zinc/20/13/58/570201358.db2.gz VZYLBWVJOPGHLL-UHFFFAOYSA-N 0 0 482.400 2.793 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1Cl ZINC000408562029 570201512 /nfs/dbraw/zinc/20/15/12/570201512.db2.gz XCMJGYHFSANWOU-MRXNPFEDSA-N 0 0 454.932 2.823 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1Cl ZINC000408562028 570201546 /nfs/dbraw/zinc/20/15/46/570201546.db2.gz XCMJGYHFSANWOU-INIZCTEOSA-N 0 0 454.932 2.823 40 0 JFABRN O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000408576323 570205891 /nfs/dbraw/zinc/20/58/91/570205891.db2.gz GLFWWWMVBQFDPG-SFHVURJKSA-N 0 0 484.984 2.784 40 0 JFABRN CC(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)N4CCOCC4)cc3)C2)cc1 ZINC000408581701 570206765 /nfs/dbraw/zinc/20/67/65/570206765.db2.gz UBBKJPFSNGTCSO-JOCHJYFZSA-N 0 0 479.577 2.717 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(NC(C)=O)c3)CC2)c1 ZINC000408582349 570206981 /nfs/dbraw/zinc/20/69/81/570206981.db2.gz CNDKWZHHJWVDMC-UHFFFAOYSA-N 0 0 461.540 2.702 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(NC(C)=O)c3)C2)c1 ZINC000408584808 570207799 /nfs/dbraw/zinc/20/77/99/570207799.db2.gz VJMHUEOMIDDKLA-INIZCTEOSA-N 0 0 461.540 2.702 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000408589509 570208801 /nfs/dbraw/zinc/20/88/01/570208801.db2.gz FXMYIBXGOHORAD-UHFFFAOYSA-N 0 0 480.539 2.585 40 0 JFABRN CCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408591548 570209254 /nfs/dbraw/zinc/20/92/54/570209254.db2.gz IRKPSVXWFGHLER-UHFFFAOYSA-N 0 0 482.002 2.992 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)C2)cc1 ZINC000408592203 570209374 /nfs/dbraw/zinc/20/93/74/570209374.db2.gz KOKOLUZTEQGVER-LKYAVPRHSA-N 0 0 483.634 2.954 40 0 JFABRN CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)CC1 ZINC000408592826 570209552 /nfs/dbraw/zinc/20/95/52/570209552.db2.gz OUCPKZGNXMDQKI-UHFFFAOYSA-N 0 0 472.991 2.551 40 0 JFABRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 ZINC000408592973 570209609 /nfs/dbraw/zinc/20/96/09/570209609.db2.gz LGGLJZCPRDFTJZ-NSHDSACASA-N 0 0 460.293 2.605 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000408593352 570209773 /nfs/dbraw/zinc/20/97/73/570209773.db2.gz PZMJJVNJCQZLIG-UHFFFAOYSA-N 0 0 493.557 2.639 40 0 JFABRN COc1ccc(CNC(=O)CN(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccccc2)cc1 ZINC000000887740 193949418 /nfs/dbraw/zinc/94/94/18/193949418.db2.gz UJLYCIKCXQKXLF-UHFFFAOYSA-N 0 0 474.496 2.837 40 0 JFABRN O=C(Cn1nnc(-c2cccs2)n1)N(C[C@H]1CCCO1)[C@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000000887296 193949431 /nfs/dbraw/zinc/94/94/31/193949431.db2.gz QRRPRPSNRLUMAC-KNQAVFIVSA-N 0 0 495.609 2.604 40 0 JFABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000000913995 193963592 /nfs/dbraw/zinc/96/35/92/193963592.db2.gz DOWLZOSOZIHKRZ-IBGZPJMESA-N 0 0 470.547 2.993 40 0 JFABRN CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1 ZINC000000930456 193982007 /nfs/dbraw/zinc/98/20/07/193982007.db2.gz UUHZERCBVAOMBV-UHFFFAOYSA-N 0 0 479.562 2.612 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(C[C@H]1CCCO1)S(=O)(=O)c1ccccc1F)OCCO3 ZINC000001222161 194074540 /nfs/dbraw/zinc/07/45/40/194074540.db2.gz RMJPYCYUFRNRLF-QGZVFWFLSA-N 0 0 474.510 2.808 40 0 JFABRN O=C(c1cccc(F)c1)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)CC1 ZINC000001324812 194085700 /nfs/dbraw/zinc/08/57/00/194085700.db2.gz DEAMMQRCBZOXBJ-UHFFFAOYSA-N 0 0 450.449 2.861 40 0 JFABRN O=C(Cn1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1)Nc1ccccc1-n1cccc1 ZINC000001326093 194087155 /nfs/dbraw/zinc/08/71/55/194087155.db2.gz BCXHPQZURHAQSV-UHFFFAOYSA-N 0 0 477.550 2.554 40 0 JFABRN COc1ccc(S(=O)(=O)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C[C@@H]2COCCO2)cc1 ZINC000001335236 194093928 /nfs/dbraw/zinc/09/39/28/194093928.db2.gz KWSNNNCRWNJJFN-OAQYLSRUSA-N 0 0 472.563 2.760 40 0 JFABRN Cc1cc(C)c2cc(CN(C[C@@H]3COCCO3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001335299 194093978 /nfs/dbraw/zinc/09/39/78/194093978.db2.gz DDHOHUHWMHDBSG-LJQANCHMSA-N 0 0 460.527 2.890 40 0 JFABRN COc1cccc(CC(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)C2)c1 ZINC000001334154 194092935 /nfs/dbraw/zinc/09/29/35/194092935.db2.gz VCUHLQLFCKJNAY-HXUWFJFHSA-N 0 0 472.549 2.829 40 0 JFABRN COc1cccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)C2)c1 ZINC000001334635 194093310 /nfs/dbraw/zinc/09/33/10/194093310.db2.gz BCALAEGVJUCKRD-QGZVFWFLSA-N 0 0 462.485 2.730 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C[C@H]1CCCO1)Cc1ccccc1)OCCO3 ZINC000001373808 194107598 /nfs/dbraw/zinc/10/75/98/194107598.db2.gz WRZXTXLVOVTGIK-OAQYLSRUSA-N 0 0 488.548 2.667 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)Cc1nnnn1Cc1ccco1)OCCO3 ZINC000001373968 194107916 /nfs/dbraw/zinc/10/79/16/194107916.db2.gz XPBATHXFNPZTII-UHFFFAOYSA-N 0 0 474.477 2.723 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCC1)C[C@@H]1CCCO1)OCO3 ZINC000001375715 194110535 /nfs/dbraw/zinc/11/05/35/194110535.db2.gz DPIVWUKGBNLHEE-SFHVURJKSA-N 0 0 452.515 2.540 40 0 JFABRN COC(=O)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000001467094 194124733 /nfs/dbraw/zinc/12/47/33/194124733.db2.gz PUJIJOWBYWBBQD-CNSVBDKNSA-N 0 0 494.594 2.917 40 0 JFABRN COC(=O)C1(NC(=O)C2(NC(=O)C3(N4C(=O)c5ccccc5C4=O)CCCC3)CCCC2)CCCC1 ZINC000001719085 194132130 /nfs/dbraw/zinc/13/21/30/194132130.db2.gz OOYAQUNQEDBUCY-UHFFFAOYSA-N 0 0 495.576 2.626 40 0 JFABRN CCOC(=O)c1ccc(Cn2c(C)cc(=O)n(Cc3ccc(C(=O)OCC)cc3)c2=O)cc1 ZINC000001748568 194133874 /nfs/dbraw/zinc/13/38/74/194133874.db2.gz GUFRXHUDRJXPJE-UHFFFAOYSA-N 0 0 450.491 2.768 40 0 JFABRN O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3cncnc3)CO[C@H]12 ZINC000003838587 194362594 /nfs/dbraw/zinc/36/25/94/194362594.db2.gz VEUSZQYQHGQWTM-DXBBTUNJSA-N 0 0 462.462 2.782 40 0 biogenic,in-vitro JFABRN COc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](NS(=O)(=O)c4cccs4)[C@H]2C(=O)N3)cc1 ZINC000003839486 194362696 /nfs/dbraw/zinc/36/26/96/194362696.db2.gz LGYUXGUSUVRMMB-FPOVZHCZSA-N 0 0 483.571 2.937 40 0 biogenic,in-vitro JFABRN COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)OC)c1 ZINC000003940680 194367073 /nfs/dbraw/zinc/36/70/73/194367073.db2.gz FBQUXLIJKPWCAO-AZIFJQEOSA-N 0 0 450.597 2.935 40 0 investigational JFABRN CCOc1ccccc1N(CC(=O)NC[C@H]1CCCO1)C(=O)CCC(=O)Nc1ccccn1 ZINC000004091959 194376905 /nfs/dbraw/zinc/37/69/05/194376905.db2.gz NMLQMDKFCPRUTF-GOSISDBHSA-N 0 0 454.527 2.527 40 0 JFABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C ZINC000004103332 194378206 /nfs/dbraw/zinc/37/82/06/194378206.db2.gz VNTXIMDCCPNTDT-UHFFFAOYSA-N 0 0 493.611 2.600 40 0 JFABRN COCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccc(OC)c1 ZINC000004410222 194389301 /nfs/dbraw/zinc/38/93/01/194389301.db2.gz IEEZHJASHVRCMW-HSZRJFAPSA-N 0 0 471.554 2.683 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(CCC(C)C)[C@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@]2(C)O4)no1 ZINC000004354201 194388139 /nfs/dbraw/zinc/38/81/39/194388139.db2.gz KTRDUBAGADPKCC-QMMXVSRNSA-N 0 0 492.576 2.825 40 0 JFABRN COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1OC ZINC000004355766 194388375 /nfs/dbraw/zinc/38/83/75/194388375.db2.gz GWMOOWPMEPIBOJ-UHFFFAOYSA-N 0 0 478.553 2.758 40 0 JFABRN COCCNC(=O)[C@@H](c1ccco1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 ZINC000004373340 194388404 /nfs/dbraw/zinc/38/84/04/194388404.db2.gz LGDWWAFWVFJEQE-XMMPIXPASA-N 0 0 477.521 2.566 40 0 JFABRN CCC[C@H](C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000004400529 194389037 /nfs/dbraw/zinc/38/90/37/194389037.db2.gz LMAVNIGBPQYFML-IFMALSPDSA-N 0 0 497.633 2.729 40 0 JFABRN O=C(OC[C@@H](O)[C@H]1OC(c2ccccc2)O[C@H]1[C@H](O)COC(=O)c1ccccc1)c1ccccc1 ZINC000005249407 194404270 /nfs/dbraw/zinc/40/42/70/194404270.db2.gz LQBNQDOSCXRLCD-HVAPATONSA-N 0 0 478.497 2.905 40 0 JFABRN CC(C)C(=O)OC[C@H]1O[C@@H](n2cnc3c2nc[nH]c3=S)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C ZINC000004895991 194401422 /nfs/dbraw/zinc/40/14/22/194401422.db2.gz GCIQCTFDWHVXEW-JNNRSPCRSA-N 0 0 494.570 2.721 40 0 JFABRN COc1cc([C@@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OCC(C)C)ccc1O ZINC000009033353 194507647 /nfs/dbraw/zinc/50/76/47/194507647.db2.gz FJZKABHJGTZDRK-WHLIWEHUSA-N 0 0 450.528 2.839 40 0 JFABRN COc1ccccc1OCCCN1c2ccc(C)cc2[C@@]2(SC(NC(C)=O)=NN2C(C)=O)C1=O ZINC000009925760 195023814 /nfs/dbraw/zinc/02/38/14/195023814.db2.gz KDRWUIBJVXLFMA-XMMPIXPASA-N 0 0 482.562 2.975 40 0 JFABRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2OCCc3ccccc32)cc1 ZINC000012637386 195068381 /nfs/dbraw/zinc/06/83/81/195068381.db2.gz DGSGBNHKMZXCHL-JTSKRJEESA-N 0 0 464.609 2.842 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(C)cc1)N(C(=O)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 ZINC000012641106 195070645 /nfs/dbraw/zinc/07/06/45/195070645.db2.gz GCDRXZIQAZQRHF-DEOSSOPVSA-N 0 0 495.576 2.662 40 0 JFABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)C(=O)NC2CCCCC2)C(C)C)cc1 ZINC000012641455 195071228 /nfs/dbraw/zinc/07/12/28/195071228.db2.gz LNTAYERLMQLRJC-VXKWHMMOSA-N 0 0 459.587 2.717 40 0 JFABRN COc1ccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)c2cnccn2)cc1OC ZINC000012645649 195074166 /nfs/dbraw/zinc/07/41/66/195074166.db2.gz PNDFDNPVKPXGQI-UHFFFAOYSA-N 0 0 488.500 2.949 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000012701458 195091553 /nfs/dbraw/zinc/09/15/53/195091553.db2.gz JLOFMDVIBUHPRM-INIZCTEOSA-N 0 0 496.543 2.977 40 0 JFABRN C[C@H](C(=O)NCc1ccccc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)c(Cl)c1 ZINC000012705735 195092659 /nfs/dbraw/zinc/09/26/59/195092659.db2.gz ZJTODJQWESMZCV-LLVKDONJSA-N 0 0 475.933 2.968 40 0 JFABRN C[C@@H](C(=O)NCc1ccccc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)c(Cl)c1 ZINC000012705743 195092813 /nfs/dbraw/zinc/09/28/13/195092813.db2.gz ZJTODJQWESMZCV-NSHDSACASA-N 0 0 475.933 2.968 40 0 JFABRN O=C(CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1F)NC1CCCC1 ZINC000012709353 195094127 /nfs/dbraw/zinc/09/41/27/195094127.db2.gz JXBBPAFZHMSXKV-MGBGTMOVSA-N 0 0 477.533 2.744 40 0 JFABRN COc1ccc([C@H](C(=O)NCc2ccc3c(c2)OCO3)N(C(=O)c2csnn2)C2CC2)cc1 ZINC000012872992 195164432 /nfs/dbraw/zinc/16/44/32/195164432.db2.gz GSTVDYGYTGOBBZ-OAQYLSRUSA-N 0 0 466.519 2.938 40 0 JFABRN Cc1nn(Cc2noc(C(=O)NCCNC(=O)c3ccccc3Br)n2)c(C)c1Cl ZINC000021454965 195301758 /nfs/dbraw/zinc/30/17/58/195301758.db2.gz YCECTTJPYJZGOL-UHFFFAOYSA-N 0 0 481.738 2.507 40 0 JFABRN Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)c(=O)[nH]c2c1C ZINC000057589670 195351506 /nfs/dbraw/zinc/35/15/06/195351506.db2.gz OFUJZWWSSCCRJV-HSZRJFAPSA-N 0 0 462.529 2.865 40 0 JFABRN COc1ccc2cc(CN(Cc3nnnn3C[C@H]3CCCO3)Cc3ccccc3)c(=O)[nH]c2c1 ZINC000057607748 195353010 /nfs/dbraw/zinc/35/30/10/195353010.db2.gz BESADTLSJLTZLH-JOCHJYFZSA-N 0 0 460.538 2.905 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000057607884 195353014 /nfs/dbraw/zinc/35/30/14/195353014.db2.gz XMNKJQSYXTVBJU-LJQANCHMSA-N 0 0 466.567 2.966 40 0 JFABRN COc1ccc(Cn2nnnc2CN(Cc2cc3cc(OC)ccc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000057607900 195353076 /nfs/dbraw/zinc/35/30/76/195353076.db2.gz SIFISJYVBZQKJW-HSZRJFAPSA-N 0 0 490.564 2.761 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000057608076 195353378 /nfs/dbraw/zinc/35/33/78/195353378.db2.gz UTTHMCXDCMSVKC-FQEVSTJZSA-N 0 0 452.559 2.943 40 0 JFABRN COCCn1nnnc1CN(Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057615857 195353847 /nfs/dbraw/zinc/35/38/47/195353847.db2.gz SASYGQXAZCXVAW-UHFFFAOYSA-N 0 0 452.490 2.511 40 0 JFABRN COCCn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057615822 195353954 /nfs/dbraw/zinc/35/39/54/195353954.db2.gz BVCYDLWXEQGMAS-UHFFFAOYSA-N 0 0 476.537 2.709 40 0 JFABRN COc1ccccc1[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCSCC1 ZINC000057710578 195357816 /nfs/dbraw/zinc/35/78/16/195357816.db2.gz JRAUGFSEMUTUGR-HXUWFJFHSA-N 0 0 459.597 2.560 40 0 JFABRN COc1ccc(-c2ccc3c(n2)nc(N2C[C@H](C)O[C@@H](C)C2)nc3N2CCOCC2)cc1CO ZINC000059259287 195396469 /nfs/dbraw/zinc/39/64/69/195396469.db2.gz RFSMUFRPPYDYRD-IRXDYDNUSA-N 0 0 465.554 2.643 40 0 in-vitro JFABRN COc1ccc(CCCNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1OC ZINC000224837315 195464592 /nfs/dbraw/zinc/46/45/92/195464592.db2.gz NHJGJJLYTQFRHJ-UHFFFAOYSA-N 0 0 454.976 2.868 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224857383 195468454 /nfs/dbraw/zinc/46/84/54/195468454.db2.gz RATPSQNPKUKTKB-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000224858854 195468988 /nfs/dbraw/zinc/46/89/88/195468988.db2.gz NBPZMUCDCGHXON-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2ccccc2OC)CC1 ZINC000096299524 130053164 /nfs/dbraw/zinc/05/31/64/130053164.db2.gz GVTBKAILFKYIPA-JOCHJYFZSA-N 0 0 456.978 2.889 40 0 JFABRN COC(=O)CCn1c(=O)c2c(nc3n2cc(-c2ccccc2)n3-c2ccc(C)cc2)n(C)c1=O ZINC000096306407 130056575 /nfs/dbraw/zinc/05/65/75/130056575.db2.gz IWNFVXGCWYMYCG-UHFFFAOYSA-N 0 0 457.490 2.677 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1ccccn1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)cc1 ZINC000013501319 518054705 /nfs/dbraw/zinc/05/47/05/518054705.db2.gz PALKRCQGVHNVOO-BWKNWUBXSA-N 0 0 482.581 2.620 40 0 JFABRN CC(C)(C)N(CC(=O)NC1CCCCC1)C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1 ZINC000006074288 518700669 /nfs/dbraw/zinc/70/06/69/518700669.db2.gz LMHHEYWNYLRNCQ-HKBQPEDESA-N 0 0 453.580 2.589 40 0 JFABRN CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503231 518727451 /nfs/dbraw/zinc/72/74/51/518727451.db2.gz HFERMMXKMAXQCQ-UHFFFAOYSA-N 0 0 458.005 2.623 40 0 JFABRN CC(=O)N1CC[NH+](CC[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CC[C@H]2CC(=O)[O-])CC1 ZINC000012481418 519586276 /nfs/dbraw/zinc/58/62/76/519586276.db2.gz NNSSEQIWPVCPII-OALUTQOASA-N 0 0 469.504 2.813 40 0 biogenic,in-vitro JFABRN CC(=O)N[C@H](Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(c2c3c(nc4ncnn42)CCC3)CC1 ZINC000013565737 519698954 /nfs/dbraw/zinc/69/89/54/519698954.db2.gz JTPQTLAYXWGIGK-XMMPIXPASA-N 0 0 489.624 2.569 40 0 JFABRN CC(C)CNC(=O)CCn1c2nn(Cc3ccc(Cl)cc3)c(=O)n2c2ccccc2c1=O ZINC000033291939 519733533 /nfs/dbraw/zinc/73/35/33/519733533.db2.gz WICSEISPOPBDPK-UHFFFAOYSA-N 0 0 453.930 2.675 40 0 JFABRN CC(C)CNC(=O)CCn1c2nn(Cc3ccccc3Cl)c(=O)n2c2ccccc2c1=O ZINC000033291938 519733669 /nfs/dbraw/zinc/73/36/69/519733669.db2.gz OEZLUZZHTGAMAA-UHFFFAOYSA-N 0 0 453.930 2.675 40 0 JFABRN CC(C)CNC(=O)CCn1c2nn(Cc3c(F)cccc3Cl)c(=O)n2c2ccccc2c1=O ZINC000033291943 519733746 /nfs/dbraw/zinc/73/37/46/519733746.db2.gz IQDBWVHKMHOUNM-UHFFFAOYSA-N 0 0 471.920 2.814 40 0 JFABRN CC(C)OCCCn1c2nn(CC(=O)Nc3cc(F)ccc3F)c(=O)n2c2ccccc2c1=O ZINC000035479968 519765007 /nfs/dbraw/zinc/76/50/07/519765007.db2.gz KKSMSKKPXFFMNQ-UHFFFAOYSA-N 0 0 471.464 2.543 40 0 JFABRN CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O[C@H](C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000036213526 519799294 /nfs/dbraw/zinc/79/92/94/519799294.db2.gz FRWLGKIXKPDFOZ-SZOQZIPDSA-N 0 0 495.425 2.864 40 0 JFABRN CC(C)c1ccccc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000022427711 519844287 /nfs/dbraw/zinc/84/42/87/519844287.db2.gz LNWZJTJTSYLRLU-INIZCTEOSA-N 0 0 452.598 2.857 40 0 JFABRN CCCNC(=O)CSc1nnc2n1c1ccccc1c(=O)n2CCC(=O)NC1CCCCC1 ZINC000033292146 519881869 /nfs/dbraw/zinc/88/18/69/519881869.db2.gz MPBHJNDZWVYJDE-UHFFFAOYSA-N 0 0 470.599 2.502 40 0 JFABRN CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1OC ZINC000016681778 520049272 /nfs/dbraw/zinc/04/92/72/520049272.db2.gz QINRMXUIGHGLEX-UHFFFAOYSA-N 0 0 471.501 2.975 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008399172 520483075 /nfs/dbraw/zinc/48/30/75/520483075.db2.gz VYRYKFYAMLHQBU-JIKIWWBOSA-N 0 0 463.559 2.992 40 0 JFABRN CC1(C)O[C@]2(C[C@H]1[C@]1(C)C=CC(=O)O1)C[C@]1(O)[C@H](CC[C@]34C[C@@]31C(=O)O[C@@H]4c1ccoc1)O2 ZINC000005493364 520614009 /nfs/dbraw/zinc/61/40/09/520614009.db2.gz CJJZZJATCPPMMW-JYGYZAIQSA-N 0 0 456.491 2.951 40 0 JFABRN CC1(C)[C@H](CC(=O)N[C@H](O)C(Cl)(Cl)Cl)C[C@@H]1C(=O)N[C@@H](O)C(Cl)(Cl)Cl ZINC000016577222 520650922 /nfs/dbraw/zinc/65/09/22/520650922.db2.gz OGTLIIHRGUPOEW-ZRVLKLQWSA-N 0 0 479.015 2.648 40 0 JFABRN CCOC(=O)CCS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)CCC(=O)OCC)cc2)cc1 ZINC000006546114 520697594 /nfs/dbraw/zinc/69/75/94/520697594.db2.gz QFJILUFQJRDCDQ-UHFFFAOYSA-N 0 0 496.603 2.731 40 0 JFABRN CCOC(=O)CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OCC ZINC000004775699 520713346 /nfs/dbraw/zinc/71/33/46/520713346.db2.gz UOXZZAHKLIZDEJ-FQEVSTJZSA-N 0 0 476.551 2.801 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccccc1C ZINC000013507854 520721454 /nfs/dbraw/zinc/72/14/54/520721454.db2.gz QFQNNJQMSTZGAT-DEOSSOPVSA-N 0 0 483.565 2.900 40 0 JFABRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1ncnc2[nH]cnc21 ZINC000016688142 520750839 /nfs/dbraw/zinc/75/08/39/520750839.db2.gz CFTHSQHSENCYRP-UHFFFAOYSA-N 0 0 458.544 2.718 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000021631796 520806253 /nfs/dbraw/zinc/80/62/53/520806253.db2.gz UFRQWWOLJHQZKC-UHFFFAOYSA-N 0 0 451.570 2.645 40 0 JFABRN CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC(=O)N3)CC1 ZINC000022610158 521045126 /nfs/dbraw/zinc/04/51/26/521045126.db2.gz OLSCUSWFOOTFJZ-AWEZNQCLSA-N 0 0 465.432 2.969 40 0 JFABRN CCOC(=O)c1cc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)ccc1Cl ZINC000020460415 521438304 /nfs/dbraw/zinc/43/83/04/521438304.db2.gz LFLPTSGHSGQOKL-UHFFFAOYSA-N 0 0 457.911 2.907 40 0 JFABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000020493718 521473198 /nfs/dbraw/zinc/47/31/98/521473198.db2.gz SFRQZMXXSAHXRW-SFHVURJKSA-N 0 0 452.916 2.991 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2nnnn2C(C)(C)C)cc1 ZINC000004399770 521504248 /nfs/dbraw/zinc/50/42/48/521504248.db2.gz FOODIZRFHBFNPF-YQQQUEKLSA-N 0 0 455.563 2.922 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1Cl ZINC000044900730 521513867 /nfs/dbraw/zinc/51/38/67/521513867.db2.gz MVGMPZRDSIDOGR-UHFFFAOYSA-N 0 0 466.943 2.931 40 0 JFABRN CCCn1c(=O)c2cc3c(cc2nc1N1CCN(C(=O)c2cccc(OC)c2)CC1)OCCO3 ZINC000028555966 521617025 /nfs/dbraw/zinc/61/70/25/521617025.db2.gz JCBPDHZSSHTJOK-UHFFFAOYSA-N 0 0 464.522 2.549 40 0 JFABRN COC(=O)c1c(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)sc2c1CCCC2 ZINC000022526747 521769404 /nfs/dbraw/zinc/76/94/04/521769404.db2.gz FLCZCWWDZFQDLK-UHFFFAOYSA-N 0 0 478.592 2.828 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000016194829 521898485 /nfs/dbraw/zinc/89/84/85/521898485.db2.gz WAZMDNYJALUDRE-UHFFFAOYSA-N 0 0 492.550 2.683 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000016267476 521900348 /nfs/dbraw/zinc/90/03/48/521900348.db2.gz JGVVGEWVXIXAQH-UHFFFAOYSA-N 0 0 464.540 2.675 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000020083119 522154927 /nfs/dbraw/zinc/15/49/27/522154927.db2.gz PYWIICDWHCHPFB-RUZDIDTESA-N 0 0 487.608 2.685 40 0 JFABRN CN(C)c1ccc(NC(=S)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(C(C)(C)C)n2)cc1 ZINC000005398506 522235677 /nfs/dbraw/zinc/23/56/77/522235677.db2.gz PHYYHQWUQUBHQN-RAUXBKROSA-N 0 0 456.616 2.773 40 0 biogenic,in-vitro JFABRN COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3cccs3)n2)c1 ZINC000005398407 522239686 /nfs/dbraw/zinc/23/96/86/522239686.db2.gz ANJJCWFNRORNSX-RAUXBKROSA-N 0 0 497.602 2.925 40 0 biogenic,in-vitro JFABRN COc1cc(CNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)ccc1OC(C)C ZINC000022510807 522434824 /nfs/dbraw/zinc/43/48/24/522434824.db2.gz IKBYIYAIHWKYOG-UHFFFAOYSA-N 0 0 462.568 2.574 40 0 JFABRN COc1cc(NC(=S)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(C(C)(C)C)n2)cc(OC)c1 ZINC000005398564 522735653 /nfs/dbraw/zinc/73/56/53/522735653.db2.gz RIEBGPHUZPLVIU-RAUXBKROSA-N 0 0 473.599 2.725 40 0 biogenic,in-vitro JFABRN COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccccc3OC)[C@H](O)[C@H]2[C@@H]1C ZINC000020466808 522777988 /nfs/dbraw/zinc/77/79/88/522777988.db2.gz OGFNJWXRYGCTBO-DZSFXMSSSA-N 0 0 460.615 2.902 40 0 biogenic,in-vitro JFABRN COC[C@H]1CCCN1C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467252 522835977 /nfs/dbraw/zinc/83/59/77/522835977.db2.gz DBMMYSPHIVYAFT-ZMNRPVERSA-N 0 0 472.630 2.672 40 0 biogenic,in-vitro JFABRN COC(=O)C1CCN(C(=O)CSc2nnc3n2c2ccccc2c(=O)n3-c2cccc(C)c2)CC1 ZINC000002640406 522910940 /nfs/dbraw/zinc/91/09/40/522910940.db2.gz DZOSBAWORHZUEM-UHFFFAOYSA-N 0 0 491.573 2.846 40 0 JFABRN COc1cc([C@H](c2nnnn2C(C)(C)C)N2CCN(Cc3ccncc3)CC2)cc(OC)c1OC ZINC000022928727 522951151 /nfs/dbraw/zinc/95/11/51/522951151.db2.gz BRVZBUKYASAXKF-JOCHJYFZSA-N 0 0 481.601 2.756 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000012480932 523268909 /nfs/dbraw/zinc/26/89/09/523268909.db2.gz YAJHMJFNMYHUCP-SFHVURJKSA-N 0 0 492.580 2.833 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cccc(F)c3)n2)cc1OC ZINC000012480588 523269648 /nfs/dbraw/zinc/26/96/48/523269648.db2.gz YDIVDPHSPHUXBQ-UHFFFAOYSA-N 0 0 482.516 2.588 40 0 JFABRN COc1ccc(-c2nnc3sc(SCC(=O)Nc4cc(OC)ccc4OC)nn3c2=O)cc1 ZINC000027546519 523270037 /nfs/dbraw/zinc/27/00/37/523270037.db2.gz QRXJZAFWWTWGDD-UHFFFAOYSA-N 0 0 485.547 2.970 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccccc3F)n2)cc1OC ZINC000012480555 523270565 /nfs/dbraw/zinc/27/05/65/523270565.db2.gz IFJDMUIQHYRTLQ-UHFFFAOYSA-N 0 0 482.516 2.588 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC(C)(C)C)c1ccc(OC)cc1 ZINC000012492524 523532527 /nfs/dbraw/zinc/53/25/27/523532527.db2.gz CUBRWLIJVQASRA-JOCHJYFZSA-N 0 0 474.558 2.841 40 0 JFABRN CC[C@H](C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)N(c1ccccc1)S(C)(=O)=O ZINC000030849046 523797018 /nfs/dbraw/zinc/79/70/18/523797018.db2.gz UHQDPTPMTJWYNE-LJQANCHMSA-N 0 0 483.612 2.565 40 0 JFABRN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@@H](C)[C@@H]4CCCC[C@@H]43)=C2)cc1OC ZINC000020467491 523881111 /nfs/dbraw/zinc/88/11/11/523881111.db2.gz JIXVCQKQWSIIOC-AYBZRNKSSA-N 0 0 461.584 2.994 40 0 JFABRN COCCNC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)COc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466902 523908824 /nfs/dbraw/zinc/90/88/24/523908824.db2.gz CTMURMICMBIOKQ-JZNVBFRMSA-N 0 0 460.615 2.772 40 0 biogenic,in-vitro JFABRN COCCNC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013509011 523910874 /nfs/dbraw/zinc/91/08/74/523910874.db2.gz IDQIYRKEEOPUMC-RUZDIDTESA-N 0 0 473.533 2.977 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1 ZINC000012467443 523911153 /nfs/dbraw/zinc/91/11/53/523911153.db2.gz UFGWSPVDQMRJLT-HXUWFJFHSA-N 0 0 499.593 3.000 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C ZINC000012467249 523918529 /nfs/dbraw/zinc/91/85/29/523918529.db2.gz AMRIYUAGZMSSMB-FQEVSTJZSA-N 0 0 499.568 2.731 40 0 JFABRN COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 ZINC000013508474 523919223 /nfs/dbraw/zinc/91/92/23/523919223.db2.gz NSVVDUGSPSJPOY-QHCPKHFHSA-N 0 0 463.494 2.570 40 0 JFABRN CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4ccc(S(C)(=O)=O)cc4)n3)cn2)CC1 ZINC000049155162 523924376 /nfs/dbraw/zinc/92/43/76/523924376.db2.gz AGIKYIZIBSLBGP-NRFANRHFSA-N 0 0 482.610 2.624 40 0 biogenic,in-vitro JFABRN COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000027457440 523928335 /nfs/dbraw/zinc/92/83/35/523928335.db2.gz ZNZBLRDLPKHSIU-INIZCTEOSA-N 0 0 479.986 2.756 40 0 JFABRN COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000016187874 523957445 /nfs/dbraw/zinc/95/74/45/523957445.db2.gz MBOHTRGKZJSCBW-UHFFFAOYSA-N 0 0 461.367 2.990 40 0 JFABRN COc1ccc(CN(C)C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC ZINC000020492932 523992828 /nfs/dbraw/zinc/99/28/28/523992828.db2.gz GPEMCVFECQDVQE-UHFFFAOYSA-N 0 0 464.540 2.637 40 0 JFABRN COc1ccc(CN(C)C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1OC ZINC000038772054 523993465 /nfs/dbraw/zinc/99/34/65/523993465.db2.gz SHXPSNNOHNRLEY-UHFFFAOYSA-N 0 0 471.373 2.891 40 0 JFABRN COc1ccc(CNC(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1OC ZINC000044904019 524061986 /nfs/dbraw/zinc/06/19/86/524061986.db2.gz QSEYKJUWNUIULK-CYBMUJFWSA-N 0 0 456.948 2.837 40 0 JFABRN COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC ZINC000004415968 524359693 /nfs/dbraw/zinc/35/96/93/524359693.db2.gz SDAVZZHRESASMU-UHFFFAOYSA-N 0 0 482.516 2.588 40 0 JFABRN COc1ccccc1N1CCN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000016187686 524544866 /nfs/dbraw/zinc/54/48/66/524544866.db2.gz YSQTZLKXVROSTN-UHFFFAOYSA-N 0 0 472.394 2.971 40 0 JFABRN Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c1C ZINC000016350074 524545304 /nfs/dbraw/zinc/54/53/04/524545304.db2.gz CMPYPUWDGKPRCT-UHFFFAOYSA-N 0 0 457.596 2.816 40 0 JFABRN COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=S)Nc4cc(OC)cc(OC)c4)CO[C@H]23)cc1 ZINC000004147425 524581771 /nfs/dbraw/zinc/58/17/71/524581771.db2.gz FXNZIBAVTIVLAG-DOIPELPJSA-N 0 0 489.550 2.782 40 0 biogenic,in-vitro JFABRN COc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000044882265 524633303 /nfs/dbraw/zinc/63/33/03/524633303.db2.gz FTAPKZAHHFZELO-UHFFFAOYSA-N 0 0 470.551 2.522 40 0 JFABRN Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 ZINC000009988705 524773979 /nfs/dbraw/zinc/77/39/79/524773979.db2.gz PLWFVNSCITZZHF-QPLCGJKRSA-N 0 0 474.542 2.796 40 0 JFABRN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccnc4)c(=O)n32)c1 ZINC000006243390 524888175 /nfs/dbraw/zinc/88/81/75/524888175.db2.gz PWUJGRYWKPMBJI-JGZDWKDESA-N 0 0 479.558 2.599 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 ZINC000020457371 525041916 /nfs/dbraw/zinc/04/19/16/525041916.db2.gz IPKVQMZWFHWVCQ-OAHLLOKOSA-N 0 0 496.607 2.853 40 0 JFABRN COc1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1C(=O)N1CCOCC1 ZINC000013675780 525060184 /nfs/dbraw/zinc/06/01/84/525060184.db2.gz BDOVJIMHOSEWHI-UHFFFAOYSA-N 0 0 468.572 2.518 40 0 JFABRN COc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000016217312 525062873 /nfs/dbraw/zinc/06/28/73/525062873.db2.gz DGRSCYILIRXJDC-HDICACEKSA-N 0 0 482.624 2.767 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=c2\sc3ncnn3c2=O)cc1 ZINC000047154592 525069118 /nfs/dbraw/zinc/06/91/18/525069118.db2.gz PTKKGNUHEIHDAI-MFOYZWKCSA-N 0 0 471.336 2.787 40 0 JFABRN Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000012472976 525093652 /nfs/dbraw/zinc/09/36/52/525093652.db2.gz CHKKEHSGAQOXAH-MGBGTMOVSA-N 0 0 473.570 2.913 40 0 JFABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000020487267 525113009 /nfs/dbraw/zinc/11/30/09/525113009.db2.gz WGKCCHPKUCUCCB-OAHLLOKOSA-N 0 0 466.581 2.844 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(C[C@@H]2CCCO2)[C@H](C(=O)NC2CCCC2)c2cccnc2)no1 ZINC000008673017 525121341 /nfs/dbraw/zinc/12/13/41/525121341.db2.gz VZSODILOJVVEDC-RDPSFJRHSA-N 0 0 483.569 2.904 40 0 JFABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCC2)Oc2ccc(Cl)cc21 ZINC000044786681 525187263 /nfs/dbraw/zinc/18/72/63/525187263.db2.gz CSBBZBUTEUPMMF-IBGZPJMESA-N 0 0 463.943 2.742 40 0 JFABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)cc1 ZINC000006074581 525284964 /nfs/dbraw/zinc/28/49/64/525284964.db2.gz KNMDQXKDQROHHI-GOSISDBHSA-N 0 0 473.599 2.874 40 0 JFABRN CSCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccccc2CN2CCOCC2)c1=O ZINC000020503619 525346976 /nfs/dbraw/zinc/34/69/76/525346976.db2.gz WHRLRQQTNXJYKA-AZUAARDMSA-N 0 0 453.608 2.656 40 0 biogenic,in-vitro JFABRN COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@H]3CCCO3)Cc3ccccc3)cc2c1 ZINC000008582494 525477273 /nfs/dbraw/zinc/47/72/73/525477273.db2.gz VCGLWHOZWVVEMQ-JOCHJYFZSA-N 0 0 460.538 2.905 40 0 JFABRN Cc1ccc(-n2nnnc2-c2cnc(NCCC[C@@H]([NH3+])C(=O)[O-])nc2-c2cccc(F)c2)cc1 ZINC000016311610 525937365 /nfs/dbraw/zinc/93/73/65/525937365.db2.gz WVSOAZSOASFGLB-LJQANCHMSA-N 0 0 462.489 2.838 40 0 JFABRN C[C@H](C(=O)NCc1ccco1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cnccn3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466936 526090297 /nfs/dbraw/zinc/09/02/97/526090297.db2.gz PRYGCQVVTIQNDW-LOQDEGGOSA-N 0 0 454.571 2.944 40 0 biogenic,in-vitro JFABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868892 526521792 /nfs/dbraw/zinc/52/17/92/526521792.db2.gz VRKKQTCNIYWXFP-SJORKVTESA-N 0 0 477.608 2.696 40 0 JFABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000033161470 526600634 /nfs/dbraw/zinc/60/06/34/526600634.db2.gz WXSQAFPFXVQXPK-RTBURBONSA-N 0 0 471.579 2.635 40 0 JFABRN O=C(NCc1ccccc1CN1CCCC1=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000043770415 526743839 /nfs/dbraw/zinc/74/38/39/526743839.db2.gz AGNZVBLHNHILEK-HXUWFJFHSA-N 0 0 473.570 2.665 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(Cl)cc1Cl ZINC000016428905 526965807 /nfs/dbraw/zinc/96/58/07/526965807.db2.gz TZKGHVSIKDFKNC-UHFFFAOYSA-N 0 0 459.351 2.710 40 0 JFABRN O=C(CSc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)o1)NC[C@@H]1CCCO1 ZINC000004400058 527076385 /nfs/dbraw/zinc/07/63/85/527076385.db2.gz SZDPTXGDDAMOOQ-KRWDZBQOSA-N 0 0 474.564 2.925 40 0 JFABRN O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)NC1CCCCC1)N1CCN(c2ccccc2)CC1 ZINC000009668435 527099509 /nfs/dbraw/zinc/09/95/09/527099509.db2.gz SDGIGRNYIWVPIX-KMDXXIMOSA-N 0 0 481.641 2.879 40 0 JFABRN O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000006173175 527196382 /nfs/dbraw/zinc/19/63/82/527196382.db2.gz DFZUMOGVTBKONU-GOSISDBHSA-N 0 0 482.541 2.824 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000033146632 527254479 /nfs/dbraw/zinc/25/44/79/527254479.db2.gz IQFREHYKFPJKTE-GOSISDBHSA-N 0 0 477.608 2.511 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000044905179 527254546 /nfs/dbraw/zinc/25/45/46/527254546.db2.gz ZLHCBAZHJQMWDZ-UHFFFAOYSA-N 0 0 477.608 2.649 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000033146633 527254592 /nfs/dbraw/zinc/25/45/92/527254592.db2.gz IQFREHYKFPJKTE-SFHVURJKSA-N 0 0 477.608 2.511 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(I)c1 ZINC000014817796 527255586 /nfs/dbraw/zinc/25/55/86/527255586.db2.gz MUDROZLBYMFLBN-UHFFFAOYSA-N 0 0 472.304 2.564 40 0 JFABRN O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)nc2c1nnn2Cc1ccccc1 ZINC000006161939 527289585 /nfs/dbraw/zinc/28/95/85/527289585.db2.gz ZOEIGZHGCYJNRR-MRXNPFEDSA-N 0 0 468.514 2.683 40 0 JFABRN Cc1nccn1-c1ccc(CNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000022512651 527370279 /nfs/dbraw/zinc/37/02/79/527370279.db2.gz AFDSLMHLOIQMSR-UHFFFAOYSA-N 0 0 470.551 2.772 40 0 JFABRN Cc1nccn1-c1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000044932861 527372381 /nfs/dbraw/zinc/37/23/81/527372381.db2.gz USCFMDOYKIDZHR-HXUWFJFHSA-N 0 0 460.943 2.678 40 0 JFABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 ZINC000044919615 527449920 /nfs/dbraw/zinc/44/99/20/527449920.db2.gz ZVYWUJQCKANTHU-UHFFFAOYSA-N 0 0 467.595 2.737 40 0 JFABRN Cc1nn(-c2nc(C)cc(C)n2)cc1[C@@H]1NC(=O)N[C@@](O)(C(F)(F)F)C1=C(O)c1ccccc1 ZINC000033637548 527569179 /nfs/dbraw/zinc/56/91/79/527569179.db2.gz ZNXVANKPHMKNAI-WWMYMODYSA-N 0 0 474.443 2.691 40 0 JFABRN COCCN1CC2(CCN(C(=O)c3ccsc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037182 536856272 /nfs/dbraw/zinc/85/62/72/536856272.db2.gz FKRHHRJQNNNYFH-UHFFFAOYSA-N 0 0 450.582 2.700 40 0 JFABRN CCc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000000798867 553783303 /nfs/dbraw/zinc/78/33/03/553783303.db2.gz RKVJKLYDEAIVKU-UHFFFAOYSA-N 0 0 481.553 2.914 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCc3ccccc3)cc2c1 ZINC000000880008 553816785 /nfs/dbraw/zinc/81/67/85/553816785.db2.gz DOAADJXGEZHGFS-UHFFFAOYSA-N 0 0 466.607 2.746 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000000885952 553824537 /nfs/dbraw/zinc/82/45/37/553824537.db2.gz AFFSYQNBVLOHMA-MRXNPFEDSA-N 0 0 498.609 2.895 40 0 JFABRN CCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000000891405 553828881 /nfs/dbraw/zinc/82/88/81/553828881.db2.gz YTUUXGINLWECIS-UHFFFAOYSA-N 0 0 453.520 2.925 40 0 JFABRN COc1ccc(CN(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000000903639 553836903 /nfs/dbraw/zinc/83/69/03/553836903.db2.gz WKVRETZOWGGDDS-UHFFFAOYSA-N 0 0 480.544 2.966 40 0 JFABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000000913881 553842859 /nfs/dbraw/zinc/84/28/59/553842859.db2.gz GBHRKXPEQZXVQJ-FQEVSTJZSA-N 0 0 470.547 2.993 40 0 JFABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000000913994 553843230 /nfs/dbraw/zinc/84/32/30/553843230.db2.gz DOWLZOSOZIHKRZ-LJQANCHMSA-N 0 0 470.547 2.993 40 0 JFABRN CCC(=O)Nc1ccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1 ZINC000000919848 553851360 /nfs/dbraw/zinc/85/13/60/553851360.db2.gz JYGIJHXRAJFCJS-UHFFFAOYSA-N 0 0 450.528 2.687 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccccc1OC)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000925867 553862173 /nfs/dbraw/zinc/86/21/73/553862173.db2.gz UDFGUQWZVLEQJT-UHFFFAOYSA-N 0 0 476.537 2.597 40 0 JFABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)Cc3nnnn3Cc3ccccc3)cc12 ZINC000000927040 553863762 /nfs/dbraw/zinc/86/37/62/553863762.db2.gz XNDIVIVTSUHNTE-UHFFFAOYSA-N 0 0 487.608 2.514 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000927069 553863795 /nfs/dbraw/zinc/86/37/95/553863795.db2.gz UKLSWGSHBLEHSG-UHFFFAOYSA-N 0 0 474.565 2.939 40 0 JFABRN CCCn1c(SCC(=O)Nc2ccccc2N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000928661 553866201 /nfs/dbraw/zinc/86/62/01/553866201.db2.gz NNILYJTZTWGWRW-UHFFFAOYSA-N 0 0 470.599 2.565 40 0 JFABRN Cc1cccc(C)c1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000000930449 553868053 /nfs/dbraw/zinc/86/80/53/553868053.db2.gz WLDQCNUBAUVOAH-UHFFFAOYSA-N 0 0 463.563 2.830 40 0 JFABRN COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000000932167 553870660 /nfs/dbraw/zinc/87/06/60/553870660.db2.gz CFTOPRBWYMTTAO-UHFFFAOYSA-N 0 0 468.539 2.646 40 0 JFABRN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccc(S(=O)(=O)N3CCCCC3)cc1)C(=O)C2 ZINC000000937642 553874890 /nfs/dbraw/zinc/87/48/90/553874890.db2.gz QACGXULMLWGFAZ-KKSFZXQISA-N 0 0 454.614 2.998 40 0 JFABRN O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)c1cncc(Br)c1 ZINC000000950377 553880935 /nfs/dbraw/zinc/88/09/35/553880935.db2.gz PGFFISVZXHLJRQ-UHFFFAOYSA-N 0 0 483.369 2.727 40 0 JFABRN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002139633 554063540 /nfs/dbraw/zinc/06/35/40/554063540.db2.gz PSMKLWAWNWTCCN-ZACQAIPSSA-N 0 0 478.549 2.961 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccccc1 ZINC000002697332 554292804 /nfs/dbraw/zinc/29/28/04/554292804.db2.gz RNSUXRWYOUKWHF-XGHXRCDJSA-N 0 0 485.359 2.876 40 0 JFABRN COC(=O)CN1C(=S)N(c2cccc(Cl)c2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 ZINC000002729891 554314066 /nfs/dbraw/zinc/31/40/66/554314066.db2.gz RNZYVVISFJHDOI-KRWDZBQOSA-N 0 0 461.927 2.853 40 0 JFABRN CCOC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000005028888 554485627 /nfs/dbraw/zinc/48/56/27/554485627.db2.gz MGRHEKDUNLVFFO-QHCPKHFHSA-N 0 0 473.529 2.959 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCCc2ccccc21 ZINC000006136236 554508211 /nfs/dbraw/zinc/50/82/11/554508211.db2.gz UWFXCZRARZQMJO-HSZRJFAPSA-N 0 0 476.537 2.720 40 0 JFABRN COCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000006239043 554520633 /nfs/dbraw/zinc/52/06/33/554520633.db2.gz ZWKDKJQWXGZOLF-UHFFFAOYSA-N 0 0 485.562 2.797 40 0 JFABRN COCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006239047 554520714 /nfs/dbraw/zinc/52/07/14/554520714.db2.gz WPKYPRRMNDHKCE-UHFFFAOYSA-N 0 0 483.546 2.551 40 0 JFABRN Cc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c(C)c1 ZINC000006321521 554530912 /nfs/dbraw/zinc/53/09/12/554530912.db2.gz IJFGZHAIIFGEFX-UHFFFAOYSA-N 0 0 481.553 2.969 40 0 JFABRN CCC[C@@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006501165 554547410 /nfs/dbraw/zinc/54/74/10/554547410.db2.gz GUIODAYLINWJQD-HNNXBMFYSA-N 0 0 491.614 2.819 40 0 JFABRN CC(C)CCNC(=O)[C@@H](c1ccco1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000006551190 554551030 /nfs/dbraw/zinc/55/10/30/554551030.db2.gz HBFQSGORPBXZLC-LJQANCHMSA-N 0 0 469.567 2.963 40 0 JFABRN CCOc1ccc(-c2nnn(CC(=O)NCCc3ccc(OC)c(OC)c3)n2)cc1OCC ZINC000006601908 554556325 /nfs/dbraw/zinc/55/63/25/554556325.db2.gz JCQBSZUXNUGWSM-UHFFFAOYSA-N 0 0 455.515 2.514 40 0 JFABRN CC[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000006821225 554558310 /nfs/dbraw/zinc/55/83/10/554558310.db2.gz VQJPNFWLYFVDNW-QGZVFWFLSA-N 0 0 451.552 2.562 40 0 JFABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O ZINC000008818836 554702631 /nfs/dbraw/zinc/70/26/31/554702631.db2.gz ZSWCAYGIIPVGKX-CVGPFBNFSA-N 0 0 492.553 2.732 40 0 JFABRN CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000008877385 554772671 /nfs/dbraw/zinc/77/26/71/554772671.db2.gz JNTQSSGVHLUIBL-TZVRIWCLSA-N 0 0 464.643 2.883 40 0 biogenic JFABRN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CCN(c2ccccc2)CC1 ZINC000008931309 554825942 /nfs/dbraw/zinc/82/59/42/554825942.db2.gz OFKSJEUCGMOCQR-UHFFFAOYSA-N 0 0 469.497 2.993 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCCc1ccccc1)Cc1ccc2c(c1)OCO2)Nc1ccccn1 ZINC000008994672 554854632 /nfs/dbraw/zinc/85/46/32/554854632.db2.gz KCTVHGARNDDLRI-UHFFFAOYSA-N 0 0 488.544 2.917 40 0 JFABRN COc1ccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(-c3ccccc3)c2=O)cc1OC ZINC000009287130 555060610 /nfs/dbraw/zinc/06/06/10/555060610.db2.gz NUWACHIZBDKXIJ-UHFFFAOYSA-N 0 0 491.500 2.826 40 0 JFABRN Cc1ccccc1Cn1c(N2CCN(C/C=C\c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009290819 555065150 /nfs/dbraw/zinc/06/51/50/555065150.db2.gz TXWHQBSVRGRFOT-WQLSENKSSA-N 0 0 470.577 2.615 40 0 JFABRN Cn1c2nc(N3CCN(C/C=C\c4ccccc4)CC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000009291358 555065717 /nfs/dbraw/zinc/06/57/17/555065717.db2.gz MIFSPWGNHLZRNO-ZSOIEALJSA-N 0 0 484.604 2.892 40 0 JFABRN O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 ZINC000009391646 555155267 /nfs/dbraw/zinc/15/52/67/555155267.db2.gz VFXGSWPQUNWDNJ-DLBZAZTESA-N 0 0 469.588 2.899 40 0 JFABRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)c2)C[C@H](C)O1 ZINC000009439198 555209132 /nfs/dbraw/zinc/20/91/32/555209132.db2.gz BYLRACUWOMCBFA-YKGACUOXSA-N 0 0 466.600 2.582 40 0 JFABRN CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013495557 555408128 /nfs/dbraw/zinc/40/81/28/555408128.db2.gz BMSVTIBRIMWQGY-IRFCIJBXSA-N 0 0 496.568 2.555 40 0 JFABRN COc1cc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)o2)cc(OC)c1 ZINC000013496166 555411245 /nfs/dbraw/zinc/41/12/45/555411245.db2.gz HCRZYGRFSFUNSR-UHFFFAOYSA-N 0 0 464.525 2.856 40 0 JFABRN Cc1cccc2cc(CN(CCCO)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c12 ZINC000013500543 555441431 /nfs/dbraw/zinc/44/14/31/555441431.db2.gz HCDYZFDGSMYCGW-UNMCSNQZSA-N 0 0 454.575 2.584 40 0 JFABRN CCOc1ccccc1[C@H](C(=O)NCc1ccco1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013502450 555455243 /nfs/dbraw/zinc/45/52/43/555455243.db2.gz YGLJMGKBMVHUSR-RUZDIDTESA-N 0 0 491.548 2.956 40 0 JFABRN O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 ZINC000013502777 555457220 /nfs/dbraw/zinc/45/72/20/555457220.db2.gz BSMXPNNVCLDGKG-UHFFFAOYSA-N 0 0 475.567 2.511 40 0 JFABRN CC(C)[C@H](C(=O)NC(C)(C)C)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502764 555457327 /nfs/dbraw/zinc/45/73/27/555457327.db2.gz WENZCSCXFQITIQ-HXUWFJFHSA-N 0 0 465.641 2.995 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000013502917 555458213 /nfs/dbraw/zinc/45/82/13/555458213.db2.gz NCSBJCZASXKEEH-UHFFFAOYSA-N 0 0 489.981 2.865 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(C[C@@H]2CCCO2)[C@@H](C(=O)NC2CCCCC2)C(C)C)cc1 ZINC000013502884 555458221 /nfs/dbraw/zinc/45/82/21/555458221.db2.gz WTFZHIJHFJFHGL-XUZZJYLKSA-N 0 0 493.670 2.754 40 0 JFABRN CCC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503218 555459915 /nfs/dbraw/zinc/45/99/15/555459915.db2.gz JEEMMFKBLWHWFM-UHFFFAOYSA-N 0 0 455.964 2.545 40 0 JFABRN CC[C@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013503351 555460610 /nfs/dbraw/zinc/46/06/10/555460610.db2.gz WMYZUDBIYHBHPW-JOCHJYFZSA-N 0 0 487.553 2.821 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1OC ZINC000013503925 555462212 /nfs/dbraw/zinc/46/22/12/555462212.db2.gz QKJFKZPGUWCGMZ-QFIPXVFZSA-N 0 0 466.542 2.946 40 0 JFABRN COc1cccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C(=O)c3ccco3)CC2)c1OC ZINC000013504071 555462769 /nfs/dbraw/zinc/46/27/69/555462769.db2.gz OBZAFBSQXJWDEA-LJQANCHMSA-N 0 0 454.531 2.586 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000013504472 555463896 /nfs/dbraw/zinc/46/38/96/555463896.db2.gz GBLLHUHYRUAREB-ZJSXRUAMSA-N 0 0 464.570 2.781 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000013504914 555464968 /nfs/dbraw/zinc/46/49/68/555464968.db2.gz KSWWPQQEWATDNH-HSZRJFAPSA-N 0 0 458.522 2.870 40 0 JFABRN COCCN(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013505987 555469060 /nfs/dbraw/zinc/46/90/60/555469060.db2.gz GQFXAXBKGHRQRD-OAQYLSRUSA-N 0 0 461.559 2.892 40 0 JFABRN O=C(CN(C(=O)CNC(=O)c1cccs1)c1ccc2c(c1)OCCO2)NC1CCCCC1 ZINC000013506556 555472318 /nfs/dbraw/zinc/47/23/18/555472318.db2.gz DTSWDWGLYCSOPX-UHFFFAOYSA-N 0 0 457.552 2.731 40 0 JFABRN O=C(CNC(=O)c1ccco1)N(c1ccc2c(c1)OCO2)[C@H](C(=O)NC1CCCC1)c1cccnc1 ZINC000013507392 555475987 /nfs/dbraw/zinc/47/59/87/555475987.db2.gz UVJUBNPPXOHQPH-DEOSSOPVSA-N 0 0 490.516 2.966 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 ZINC000013508446 555478659 /nfs/dbraw/zinc/47/86/59/555478659.db2.gz HNMKZYKCSWVOBE-VWLOTQADSA-N 0 0 491.548 2.874 40 0 JFABRN COCCNC(=O)[C@@H](c1ccco1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013508552 555478881 /nfs/dbraw/zinc/47/88/81/555478881.db2.gz CXLTVNXTCKZDQU-XMMPIXPASA-N 0 0 461.522 2.600 40 0 JFABRN COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013508755 555479594 /nfs/dbraw/zinc/47/95/94/555479594.db2.gz GCGQOJBDGZDGJA-RUZDIDTESA-N 0 0 457.534 2.964 40 0 JFABRN COCCNC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013508829 555479757 /nfs/dbraw/zinc/47/97/57/555479757.db2.gz QJCUMVXXFURJFM-VWLOTQADSA-N 0 0 487.516 2.697 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013509191 555480794 /nfs/dbraw/zinc/48/07/94/555480794.db2.gz BKXWJHPZZXSGIU-DEOSSOPVSA-N 0 0 477.521 2.566 40 0 JFABRN COCCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013509262 555480842 /nfs/dbraw/zinc/48/08/42/555480842.db2.gz OODICGDBPIRWLI-HSZRJFAPSA-N 0 0 462.485 2.503 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013509197 555480866 /nfs/dbraw/zinc/48/08/66/555480866.db2.gz FMABOUITZGXBAU-RUZDIDTESA-N 0 0 473.533 2.977 40 0 JFABRN COCCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)cc(C)c1 ZINC000013509292 555481122 /nfs/dbraw/zinc/48/11/22/555481122.db2.gz KZXUKHXVUHIADG-RUZDIDTESA-N 0 0 472.549 2.980 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013509384 555481325 /nfs/dbraw/zinc/48/13/25/555481325.db2.gz VHHIHSKGUADZLU-WMZHIEFXSA-N 0 0 485.972 2.596 40 0 JFABRN C[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013510408 555482284 /nfs/dbraw/zinc/48/22/84/555482284.db2.gz IKZIMWVZZMEZAT-BEFAXECRSA-N 0 0 478.509 2.779 40 0 JFABRN C[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013510410 555482345 /nfs/dbraw/zinc/48/23/45/555482345.db2.gz IKZIMWVZZMEZAT-KXBFYZLASA-N 0 0 478.509 2.779 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2ccccn2)N2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000013561811 555495073 /nfs/dbraw/zinc/49/50/73/555495073.db2.gz KZMHISXMQGDIHU-XMMPIXPASA-N 0 0 457.538 2.742 40 0 JFABRN CC(C)CC(=O)Nc1ccccc1-c1nnn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000013562127 555496168 /nfs/dbraw/zinc/49/61/68/555496168.db2.gz MTTLENFTVUNFKR-UHFFFAOYSA-N 0 0 465.533 2.813 40 0 JFABRN CC(C)OC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013565039 555500875 /nfs/dbraw/zinc/50/08/75/555500875.db2.gz MMQZSWIUQAYRFT-UHFFFAOYSA-N 0 0 466.538 2.618 40 0 JFABRN CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000013565635 555502195 /nfs/dbraw/zinc/50/21/95/555502195.db2.gz HCYOOBGCBJTVAV-DEOSSOPVSA-N 0 0 497.592 2.996 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000019856670 555516880 /nfs/dbraw/zinc/51/68/80/555516880.db2.gz DFCOZGTVWUIGSB-UHFFFAOYSA-N 0 0 497.573 2.905 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2ccccc2)cc1OC ZINC000019856774 555517408 /nfs/dbraw/zinc/51/74/08/555517408.db2.gz PZTOTUGPEMGVAE-UHFFFAOYSA-N 0 0 450.557 2.830 40 0 JFABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000019867484 555521773 /nfs/dbraw/zinc/52/17/73/555521773.db2.gz IEWPLJBKEQOZBY-UHFFFAOYSA-N 0 0 488.591 2.982 40 0 JFABRN O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000009831454 555533771 /nfs/dbraw/zinc/53/37/71/555533771.db2.gz QFGZNHCUHFCRPJ-UHFFFAOYSA-N 0 0 451.914 2.537 40 0 JFABRN Nc1nnc(SCc2cc(=O)[nH]c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)s1 ZINC000013611734 555534349 /nfs/dbraw/zinc/53/43/49/555534349.db2.gz VICOIIWLSCPCOI-UHFFFAOYSA-N 0 0 469.518 2.841 40 0 JFABRN COc1ccc(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c(OC)c1 ZINC000013612253 555534786 /nfs/dbraw/zinc/53/47/86/555534786.db2.gz FHLAOIVWAUUASQ-UHFFFAOYSA-N 0 0 456.561 2.659 40 0 JFABRN CCN(CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930344 555547489 /nfs/dbraw/zinc/54/74/89/555547489.db2.gz ZPWRVGOYRVAYKL-UHFFFAOYSA-N 0 0 498.941 2.571 40 0 JFABRN COc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC ZINC000019931812 555549331 /nfs/dbraw/zinc/54/93/31/555549331.db2.gz MLRYAYXPGLVSCL-BUXKBTBVSA-N 0 0 454.932 2.762 40 0 JFABRN CCOc1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OCC ZINC000019932389 555549764 /nfs/dbraw/zinc/54/97/64/555549764.db2.gz HUCCTXQDCNBNKV-FQEVSTJZSA-N 0 0 468.959 2.981 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl ZINC000019932642 555550040 /nfs/dbraw/zinc/55/00/40/555550040.db2.gz PXTDTMLCZQCSBD-UHFFFAOYSA-N 0 0 468.915 2.693 40 0 JFABRN CCOC(=O)N1CCN(C(=O)C[C@@H](c2ccc(OC)cc2)N(C)S(=O)(=O)c2ccccc2)CC1 ZINC000019936183 555554055 /nfs/dbraw/zinc/55/40/55/555554055.db2.gz VFUCWVNUDNEPMM-QFIPXVFZSA-N 0 0 489.594 2.748 40 0 JFABRN CCOC(=O)N1CCN(C(=O)COc2ccc(N(CC)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000019938046 555555464 /nfs/dbraw/zinc/55/54/64/555555464.db2.gz QTGCWVMDMKHGLM-UHFFFAOYSA-N 0 0 489.594 2.890 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)C(=S)NCCCN1CCOCC1)OCO3 ZINC000019940456 555558496 /nfs/dbraw/zinc/55/84/96/555558496.db2.gz ULZYOGUHOBBUJZ-UHFFFAOYSA-N 0 0 494.617 2.856 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)CC1 ZINC000013669461 555559333 /nfs/dbraw/zinc/55/93/33/555559333.db2.gz AMYQLIDSEBKURW-UHFFFAOYSA-N 0 0 456.870 2.536 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000019941149 555560008 /nfs/dbraw/zinc/56/00/08/555560008.db2.gz AGGASFJSLBCQIJ-MWOWJKGTSA-N 0 0 467.607 2.977 40 0 JFABRN CCOC(=O)N1CCN(C(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)CC1 ZINC000013678682 555569946 /nfs/dbraw/zinc/56/99/46/555569946.db2.gz HBHOZAQORCZVFT-UHFFFAOYSA-N 0 0 459.568 2.876 40 0 JFABRN Cc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1C ZINC000013681234 555574010 /nfs/dbraw/zinc/57/40/10/555574010.db2.gz RKCVESJFXVFOOA-UHFFFAOYSA-N 0 0 473.595 2.961 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(c4ccccc4)CC3)cc2c1 ZINC000019972941 555574621 /nfs/dbraw/zinc/57/46/21/555574621.db2.gz IOUZVTVUUHKKGA-DEOSSOPVSA-N 0 0 473.581 2.635 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(c4ccccc4F)CC3)cc2c1 ZINC000019972945 555574961 /nfs/dbraw/zinc/57/49/61/555574961.db2.gz RBYSYPJEKCEGDX-DEOSSOPVSA-N 0 0 491.571 2.774 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000019973071 555575017 /nfs/dbraw/zinc/57/50/17/555575017.db2.gz BBQYOIQTSFWCFY-QHCPKHFHSA-N 0 0 477.544 2.520 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000019973009 555575059 /nfs/dbraw/zinc/57/50/59/555575059.db2.gz LVGYQQPNDYIVJL-HSZRJFAPSA-N 0 0 477.544 2.520 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000019973220 555575534 /nfs/dbraw/zinc/57/55/34/555575534.db2.gz MBGFMYGAQZPUAQ-DEOSSOPVSA-N 0 0 491.571 2.829 40 0 JFABRN Cc1ccc(CNC(=O)CSC(Nc2ccc(F)cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973981 555576459 /nfs/dbraw/zinc/57/64/59/555576459.db2.gz UAGBKVXWJLZBSF-UHFFFAOYSA-N 0 0 470.526 2.858 40 0 JFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NCCOC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013686041 555579408 /nfs/dbraw/zinc/57/94/08/555579408.db2.gz GXMMLDWDCWXKPT-IBGZPJMESA-N 0 0 467.975 2.900 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000009985285 555584224 /nfs/dbraw/zinc/58/42/24/555584224.db2.gz CYBRULKBGBQMQZ-UHFFFAOYSA-N 0 0 466.357 2.587 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000020009823 555585472 /nfs/dbraw/zinc/58/54/72/555585472.db2.gz HWXLENCSQFSYIK-IBGZPJMESA-N 0 0 487.965 2.976 40 0 JFABRN COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1OC ZINC000020011992 555588069 /nfs/dbraw/zinc/58/80/69/555588069.db2.gz AYUNLXGUPUFDJH-ZDUSSCGKSA-N 0 0 471.373 2.964 40 0 JFABRN CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713709 555591131 /nfs/dbraw/zinc/59/11/31/555591131.db2.gz KUVKJKPKNDYRMG-LJQANCHMSA-N 0 0 462.524 2.752 40 0 JFABRN CC[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713856 555591437 /nfs/dbraw/zinc/59/14/37/555591437.db2.gz RIKRWSFSNGFIHN-SFHVURJKSA-N 0 0 464.540 2.982 40 0 JFABRN CC[C@@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715470 555592698 /nfs/dbraw/zinc/59/26/98/555592698.db2.gz GJACJFJCPMZOKQ-IBGZPJMESA-N 0 0 460.531 2.807 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000020017915 555593961 /nfs/dbraw/zinc/59/39/61/555593961.db2.gz PUIVJNVEMGOYSS-MRXNPFEDSA-N 0 0 462.568 2.991 40 0 JFABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000020020638 555597605 /nfs/dbraw/zinc/59/76/05/555597605.db2.gz IVWUBELSLAPGOZ-INIZCTEOSA-N 0 0 450.582 2.686 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020020657 555597616 /nfs/dbraw/zinc/59/76/16/555597616.db2.gz KPPCVSDNSWCZCK-UHFFFAOYSA-N 0 0 462.421 2.883 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000010040271 555605001 /nfs/dbraw/zinc/60/50/01/555605001.db2.gz BTCIESMBINSAHA-RUZDIDTESA-N 0 0 480.542 2.557 40 0 JFABRN CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1nccs1 ZINC000010041160 555605659 /nfs/dbraw/zinc/60/56/59/555605659.db2.gz MZHAMSDWSCIFPD-SOFGYWHQSA-N 0 0 488.595 2.832 40 0 JFABRN CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1 ZINC000013759586 555612501 /nfs/dbraw/zinc/61/25/01/555612501.db2.gz PLVWMBFPIAQRHK-VXKWHMMOSA-N 0 0 482.581 2.893 40 0 in-vitro JFABRN COC(=O)c1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)sc2c1CCCC2 ZINC000020039887 555613048 /nfs/dbraw/zinc/61/30/48/555613048.db2.gz ZBNLELROMVLRJV-UHFFFAOYSA-N 0 0 469.560 2.804 40 0 JFABRN COc1ccc(NC(=O)CSc2nnc(CNC(=O)/C=C/c3ccc(OC)c(OC)c3)n2C)cc1 ZINC000010127195 555633392 /nfs/dbraw/zinc/63/33/92/555633392.db2.gz JTVACUYVVQGELR-WUXMJOGZSA-N 0 0 497.577 2.901 40 0 JFABRN NC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010128726 555634415 /nfs/dbraw/zinc/63/44/15/555634415.db2.gz MJVBKMOEKNFOQW-HXUWFJFHSA-N 0 0 457.939 2.967 40 0 JFABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000020109006 555644363 /nfs/dbraw/zinc/64/43/63/555644363.db2.gz QYCSTHDKTOCJTO-QHCPKHFHSA-N 0 0 479.558 2.825 40 0 JFABRN O=C(Nc1ccc(F)cc1)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000020109250 555645276 /nfs/dbraw/zinc/64/52/76/555645276.db2.gz BPALBQZHNCFVNJ-UHFFFAOYSA-N 0 0 482.512 2.805 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3-n3ccnc3)C2)cc1 ZINC000020112754 555650207 /nfs/dbraw/zinc/65/02/07/555650207.db2.gz YMDMCIVAVIUTTQ-IBGZPJMESA-N 0 0 454.552 2.598 40 0 JFABRN CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(C(=O)OC)=Nc3nnnn32)ccc1O ZINC000010231964 555655596 /nfs/dbraw/zinc/65/55/96/555655596.db2.gz CRKMSPFSASZADP-SFHVURJKSA-N 0 0 455.858 2.756 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2cccc(F)c2)C1C(=O)c1ccc(Br)cc1 ZINC000010232000 555655813 /nfs/dbraw/zinc/65/58/13/555655813.db2.gz OYAHKIRRENDRNR-MRXNPFEDSA-N 0 0 458.247 2.900 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(Br)cc2)C1C(=O)c1ccc(F)cc1 ZINC000010232057 555656212 /nfs/dbraw/zinc/65/62/12/555656212.db2.gz ZSJRMYFRIOJFAW-INIZCTEOSA-N 0 0 458.247 2.900 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2cccc(Br)c2)C1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000010232267 555656635 /nfs/dbraw/zinc/65/66/35/555656635.db2.gz BGRNEOCYFAYJLE-INIZCTEOSA-N 0 0 485.254 2.669 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccccc2Cl)C1C(=O)c1ccc(OC)c(OC)c1 ZINC000010232344 555656862 /nfs/dbraw/zinc/65/68/62/555656862.db2.gz AXISTTWJXXWNHC-SFHVURJKSA-N 0 0 455.858 2.669 40 0 JFABRN COc1cn(CC(=O)Nc2cccc(NC(C)=O)c2)c(CSc2nnc(C)s2)cc1=O ZINC000010254813 555662803 /nfs/dbraw/zinc/66/28/03/555662803.db2.gz KCXSHXWWATYQRA-UHFFFAOYSA-N 0 0 459.553 2.906 40 0 JFABRN O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)nc2c1nnn2Cc1ccccc1 ZINC000013997834 555668342 /nfs/dbraw/zinc/66/83/42/555668342.db2.gz KIIPUHAXEIHPBM-OAHLLOKOSA-N 0 0 456.553 2.605 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCSCc1ccccc1F ZINC000010282240 555672881 /nfs/dbraw/zinc/67/28/81/555672881.db2.gz GJTHJPPGPSFWLY-UHFFFAOYSA-N 0 0 468.572 2.518 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3I)CC2)cc1 ZINC000010287833 555673834 /nfs/dbraw/zinc/67/38/34/555673834.db2.gz BKGVCYSDYSZHRA-UHFFFAOYSA-N 0 0 470.332 2.746 40 0 JFABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000010326141 555684870 /nfs/dbraw/zinc/68/48/70/555684870.db2.gz QGIBZYOPTXSCNF-SFHVURJKSA-N 0 0 452.463 2.812 40 0 JFABRN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)CC1 ZINC000010326183 555684900 /nfs/dbraw/zinc/68/49/00/555684900.db2.gz KFOSBJZLOOVADV-KRWDZBQOSA-N 0 0 457.552 2.741 40 0 JFABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O ZINC000010336291 555691295 /nfs/dbraw/zinc/69/12/95/555691295.db2.gz FKSZKSBXXJTDML-CQSZACIVSA-N 0 0 474.004 2.837 40 0 JFABRN O=C(C[C@@H]1C(=O)NCCN1C(=S)Nc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000010339333 555693771 /nfs/dbraw/zinc/69/37/71/555693771.db2.gz YPYDBGLHJZXWAV-HXUWFJFHSA-N 0 0 472.014 2.576 40 0 JFABRN Cc1c(Cl)cccc1NC(=S)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000010339343 555693777 /nfs/dbraw/zinc/69/37/77/555693777.db2.gz MSNMUCHMSMZTMA-NRFANRHFSA-N 0 0 486.041 2.885 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000010359426 555696475 /nfs/dbraw/zinc/69/64/75/555696475.db2.gz XQUDKESTSGGTHS-OAHLLOKOSA-N 0 0 462.524 2.670 40 0 JFABRN CCN1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000014135566 555703541 /nfs/dbraw/zinc/70/35/41/555703541.db2.gz LXTPTVOHQNIREO-UHFFFAOYSA-N 0 0 480.428 2.804 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)c1C ZINC000010443845 555712225 /nfs/dbraw/zinc/71/22/25/555712225.db2.gz FBIOCFCQSBDMES-UHFFFAOYSA-N 0 0 462.524 2.738 40 0 JFABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 ZINC000010444768 555712423 /nfs/dbraw/zinc/71/24/23/555712423.db2.gz UALAPQWBBBSLSP-UHFFFAOYSA-N 0 0 450.513 2.594 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000010541911 555724885 /nfs/dbraw/zinc/72/48/85/555724885.db2.gz DBXAJBUBMYUAJB-UHFFFAOYSA-N 0 0 480.970 2.956 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)CC1 ZINC000010541905 555724888 /nfs/dbraw/zinc/72/48/88/555724888.db2.gz BULPVLZHDXTVLR-UHFFFAOYSA-N 0 0 460.552 2.611 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000020233937 555725234 /nfs/dbraw/zinc/72/52/34/555725234.db2.gz PROYXCJUMZIQNN-UHFFFAOYSA-N 0 0 475.567 2.581 40 0 JFABRN C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000010794125 555740659 /nfs/dbraw/zinc/74/06/59/555740659.db2.gz DRFBXFKDWCWREY-KHYOSLBOSA-N 0 0 472.991 2.601 40 0 JFABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020245904 555741501 /nfs/dbraw/zinc/74/15/01/555741501.db2.gz XVDXAWXEFPAIAH-UHFFFAOYSA-N 0 0 470.517 2.910 40 0 JFABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000020245856 555741546 /nfs/dbraw/zinc/74/15/46/555741546.db2.gz YYAKIUHAGWPAFM-UHFFFAOYSA-N 0 0 467.551 2.507 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 ZINC000010860540 555743916 /nfs/dbraw/zinc/74/39/16/555743916.db2.gz HTZXQYJKEUGTSV-IBGZPJMESA-N 0 0 454.479 2.896 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1 ZINC000014397216 555802843 /nfs/dbraw/zinc/80/28/43/555802843.db2.gz JURJTKHVZGSNTA-UHFFFAOYSA-N 0 0 453.586 2.755 40 0 JFABRN Clc1ccc([C@H]2NC3=NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 ZINC000020556165 555808080 /nfs/dbraw/zinc/80/80/80/555808080.db2.gz YPPQEXGHFSMEAL-NRFANRHFSA-N 0 0 451.962 2.565 40 0 JFABRN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)S(C)(=O)=O)cc1 ZINC000014411068 555810128 /nfs/dbraw/zinc/81/01/28/555810128.db2.gz GRCLDHHTXQMLGP-UHFFFAOYSA-N 0 0 483.612 2.521 40 0 JFABRN C[C@H](c1nc2ccccc2c(N2CCOCC2)n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022053230 555866593 /nfs/dbraw/zinc/86/65/93/555866593.db2.gz WXQRIOOJBFHCLE-GOSISDBHSA-N 0 0 485.585 2.673 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(N4CCOCC4)n3)CC2)cc1 ZINC000022053249 555866608 /nfs/dbraw/zinc/86/66/08/555866608.db2.gz KDCDCVSCBGHQGC-IBGZPJMESA-N 0 0 497.621 2.543 40 0 JFABRN O=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1CCCCC1 ZINC000015080683 555872675 /nfs/dbraw/zinc/87/26/75/555872675.db2.gz FJDYIBJPZCSZLO-UHFFFAOYSA-N 0 0 466.581 2.674 40 0 JFABRN COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000015137272 555880065 /nfs/dbraw/zinc/88/00/65/555880065.db2.gz GLCYZAZRDKRHPY-UHFFFAOYSA-N 0 0 462.568 2.738 40 0 JFABRN COC(=O)C1=C(NCCc2ccc(OC)c(OC)c2)C[C@@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccccc1 ZINC000022146314 555881491 /nfs/dbraw/zinc/88/14/91/555881491.db2.gz CHCBNBXOVYBRHA-LSCGWGKXSA-N 0 0 483.561 2.991 40 0 JFABRN C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 ZINC000015198570 555883840 /nfs/dbraw/zinc/88/38/40/555883840.db2.gz UJJBOJDOAPIHDN-MRXNPFEDSA-N 0 0 460.577 2.741 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000022227645 555886491 /nfs/dbraw/zinc/88/64/91/555886491.db2.gz WZWRWPBJSZPMPF-UHFFFAOYSA-N 0 0 461.005 2.900 40 0 JFABRN CCOC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000022227878 555886728 /nfs/dbraw/zinc/88/67/28/555886728.db2.gz GZJJFDDEJUTTPL-UHFFFAOYSA-N 0 0 481.596 2.561 40 0 JFABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1ccccc1Br ZINC000022228877 555887514 /nfs/dbraw/zinc/88/75/14/555887514.db2.gz FVOGFYNYZYEAPP-UHFFFAOYSA-N 0 0 480.384 2.531 40 0 JFABRN CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000022229442 555888672 /nfs/dbraw/zinc/88/86/72/555888672.db2.gz APTIUEFKTPFEOI-UHFFFAOYSA-N 0 0 458.367 2.978 40 0 JFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000022230077 555888848 /nfs/dbraw/zinc/88/88/48/555888848.db2.gz NUOJOIHWJPTPDO-OAQYLSRUSA-N 0 0 461.559 2.645 40 0 JFABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000022231217 555889701 /nfs/dbraw/zinc/88/97/01/555889701.db2.gz DMONEAKQCTZTAQ-UHFFFAOYSA-N 0 0 453.520 2.769 40 0 JFABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000022233648 555893862 /nfs/dbraw/zinc/89/38/62/555893862.db2.gz OKQYIKAZPKVOPY-UHFFFAOYSA-N 0 0 471.510 2.908 40 0 JFABRN CN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246409 555896357 /nfs/dbraw/zinc/89/63/57/555896357.db2.gz HSDHEJMVWGOEKP-SFHVURJKSA-N 0 0 456.395 2.657 40 0 JFABRN CCN(c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000022252376 555900945 /nfs/dbraw/zinc/90/09/45/555900945.db2.gz ZLENKUAUNAUUPG-CQSZACIVSA-N 0 0 466.556 2.998 40 0 JFABRN COc1cc(C(=O)N2CCOCC2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022254131 555902601 /nfs/dbraw/zinc/90/26/01/555902601.db2.gz MGKVUXMNGJRPHP-UHFFFAOYSA-N 0 0 468.959 2.796 40 0 JFABRN CCOCCCNC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1F)S(C)(=O)=O ZINC000022254627 555903245 /nfs/dbraw/zinc/90/32/45/555903245.db2.gz SVHWEYNHLJFREQ-UHFFFAOYSA-N 0 0 468.547 2.966 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1C ZINC000022268207 555906744 /nfs/dbraw/zinc/90/67/44/555906744.db2.gz XMECVGPTXASQQK-QFIPXVFZSA-N 0 0 453.564 2.995 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000022271653 555909821 /nfs/dbraw/zinc/90/98/21/555909821.db2.gz GPTLYIYYPPPXFO-JOCHJYFZSA-N 0 0 467.547 2.713 40 0 JFABRN Cc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000022337178 555922912 /nfs/dbraw/zinc/92/29/12/555922912.db2.gz IQSZVISMJHZLEP-AWEZNQCLSA-N 0 0 458.989 2.695 40 0 JFABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1Cl ZINC000022337857 555922920 /nfs/dbraw/zinc/92/29/20/555922920.db2.gz XENZIWGXRUGRJP-AWEZNQCLSA-N 0 0 458.989 2.695 40 0 JFABRN C[C@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022334774 555922937 /nfs/dbraw/zinc/92/29/37/555922937.db2.gz XCIDCUWQEJWWHU-ZDUSSCGKSA-N 0 0 478.514 2.752 40 0 JFABRN COc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(NC(C)=O)cc5)C(=O)[C@@H]24)O3)cc(OC)c1 ZINC000015894238 556061354 /nfs/dbraw/zinc/06/13/54/556061354.db2.gz IAGRGOOFTYDHQB-OUMCCJGNSA-N 0 0 463.490 2.587 40 0 biogenic JFABRN O=c1nc(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000023479521 556074720 /nfs/dbraw/zinc/07/47/20/556074720.db2.gz NZFCQTLGEAPIKM-INIZCTEOSA-N 0 0 479.027 2.610 40 0 JFABRN CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000016084270 556126563 /nfs/dbraw/zinc/12/65/63/556126563.db2.gz FIQPVAVIWPFCDW-LLVKDONJSA-N 0 0 475.224 2.799 40 0 JFABRN CCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 ZINC000025203673 556205042 /nfs/dbraw/zinc/20/50/42/556205042.db2.gz KWFMOMMCCVYLOA-GOSISDBHSA-N 0 0 452.463 2.656 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C(=O)NC(C)C ZINC000026112395 556243998 /nfs/dbraw/zinc/24/39/98/556243998.db2.gz XSEHHSZGVTYZIR-JXMROGBWSA-N 0 0 457.596 2.853 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)CC1 ZINC000026113560 556244438 /nfs/dbraw/zinc/24/44/38/556244438.db2.gz TXFDFRFARATZKL-FQEVSTJZSA-N 0 0 493.969 2.597 40 0 JFABRN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N=c1sccn1Cc1ccccc1F ZINC000026385600 556252780 /nfs/dbraw/zinc/25/27/80/556252780.db2.gz CHRJMSPUHAYQGK-KJHJVXMBSA-N 0 0 450.495 2.558 40 0 JFABRN COc1cc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc(I)c1O ZINC000026510058 556255445 /nfs/dbraw/zinc/25/54/45/556255445.db2.gz OOYPGQDTVGKBFG-CQSZACIVSA-N 0 0 470.267 2.837 40 0 JFABRN O=C(c1cc2ccccc2oc1=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000017912170 556270948 /nfs/dbraw/zinc/27/09/48/556270948.db2.gz YUOVKEAUUGMRQR-UHFFFAOYSA-N 0 0 462.893 2.955 40 0 JFABRN CC[C@@H](C)N(C(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000013074032 556274564 /nfs/dbraw/zinc/27/45/64/556274564.db2.gz GCGXDDSCSZNIEQ-XKPFWTEKSA-N 0 0 477.627 2.565 40 0 JFABRN O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)nc2c1nnn2Cc1ccccc1 ZINC000013083695 556280831 /nfs/dbraw/zinc/28/08/31/556280831.db2.gz DZMDWVAJXYRPBU-MRXNPFEDSA-N 0 0 468.514 2.683 40 0 JFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000013085117 556283237 /nfs/dbraw/zinc/28/32/37/556283237.db2.gz IEEARFQSHNJFPU-JOCHJYFZSA-N 0 0 457.958 2.817 40 0 JFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000013085299 556283792 /nfs/dbraw/zinc/28/37/92/556283792.db2.gz KZNGFSNGFQZVGB-NRFANRHFSA-N 0 0 456.518 2.694 40 0 JFABRN COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc(OC)c1 ZINC000013085508 556284365 /nfs/dbraw/zinc/28/43/65/556284365.db2.gz XMXSBMFTPLJOQB-HSZRJFAPSA-N 0 0 486.544 2.703 40 0 JFABRN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nnc3n(CC(=O)N4CCCC4)c4ccccc4n23)C1 ZINC000013085628 556284593 /nfs/dbraw/zinc/28/45/93/556284593.db2.gz VRPTWVZDSXXALA-CALCHBBNSA-N 0 0 454.600 2.903 40 0 JFABRN CCc1c(C)nc2ncnn2c1N1CCC[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)C1 ZINC000013085963 556285255 /nfs/dbraw/zinc/28/52/55/556285255.db2.gz SVZWLXHYMNPOBK-SFHVURJKSA-N 0 0 452.559 2.588 40 0 JFABRN CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013086054 556285590 /nfs/dbraw/zinc/28/55/90/556285590.db2.gz HXKKBIUMVWVDPA-OAQYLSRUSA-N 0 0 453.520 2.726 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3OC)CC2)c(C)c1 ZINC000028207773 556318347 /nfs/dbraw/zinc/31/83/47/556318347.db2.gz DBONZLJCFIRAAL-UHFFFAOYSA-N 0 0 475.611 2.762 40 0 JFABRN Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c12 ZINC000019236450 556337328 /nfs/dbraw/zinc/33/73/28/556337328.db2.gz UOMQZLMCOTXXLW-RCZVLFRGSA-N 0 0 485.592 2.914 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)cc2c1 ZINC000019519918 556350819 /nfs/dbraw/zinc/35/08/19/556350819.db2.gz ZXZKESXBIAAIAA-JOCHJYFZSA-N 0 0 464.501 2.522 40 0 JFABRN CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000019529504 556352287 /nfs/dbraw/zinc/35/22/87/556352287.db2.gz DSWHZCCDFZIMPG-MSZDEVHKSA-N 0 0 480.517 2.678 40 0 JFABRN CCOC(=O)[C@]1(C)N[C@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000019529509 556352312 /nfs/dbraw/zinc/35/23/12/556352312.db2.gz DSWHZCCDFZIMPG-AVJFOWIRSA-N 0 0 480.517 2.678 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1C ZINC000019727701 556362669 /nfs/dbraw/zinc/36/26/69/556362669.db2.gz HBAOWBYENOKIRZ-QFIPXVFZSA-N 0 0 471.623 2.749 40 0 JFABRN CCOc1ccc(N([C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000030757343 556373469 /nfs/dbraw/zinc/37/34/69/556373469.db2.gz HNROHFLUXFLXQX-MRXNPFEDSA-N 0 0 450.557 2.916 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000030852353 556378281 /nfs/dbraw/zinc/37/82/81/556378281.db2.gz IHHLJVYVNSOYQS-QGZVFWFLSA-N 0 0 497.639 2.792 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000030853394 556378588 /nfs/dbraw/zinc/37/85/88/556378588.db2.gz DZSSWHBEZLJSQD-UHFFFAOYSA-N 0 0 475.976 2.659 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 ZINC000030868422 556384145 /nfs/dbraw/zinc/38/41/45/556384145.db2.gz YHSVHZGSQZRWJW-GOSISDBHSA-N 0 0 452.916 2.991 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(O)c(OC)c1 ZINC000019818507 556386026 /nfs/dbraw/zinc/38/60/26/556386026.db2.gz HVQFNSYVGIUHCF-SFTDATJTSA-N 0 0 453.495 2.902 40 0 JFABRN C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)COc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000030883939 556387021 /nfs/dbraw/zinc/38/70/21/556387021.db2.gz QADCHQVAOIJEPH-RAMVYFITSA-N 0 0 472.626 2.868 40 0 biogenic,in-vitro JFABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000030939113 556388377 /nfs/dbraw/zinc/38/83/77/556388377.db2.gz RIZHAFPUZQSSKF-INIZCTEOSA-N 0 0 459.307 2.946 40 0 JFABRN COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)ccc1Cl ZINC000031054641 556391522 /nfs/dbraw/zinc/39/15/22/556391522.db2.gz FUNFGHAEGTUUCT-UHFFFAOYSA-N 0 0 452.916 2.708 40 0 JFABRN Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000019823286 556393338 /nfs/dbraw/zinc/39/33/38/556393338.db2.gz ZWJQQNADYLDTKO-JOCHJYFZSA-N 0 0 472.655 2.723 40 0 JFABRN COCCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(C)c(Cl)cc2[nH]c1=O ZINC000019823355 556393373 /nfs/dbraw/zinc/39/33/73/556393373.db2.gz WMCVOZGMGYUGRL-UHFFFAOYSA-N 0 0 467.035 2.535 40 0 JFABRN C[C@@H]1CN(C(=O)/C=C/C(=O)OC2CCCCC2)CCN1C(=O)/C=C\C(=O)OC1CCCCC1 ZINC000031771591 556402979 /nfs/dbraw/zinc/40/29/79/556402979.db2.gz IXYSMOKQINGOAW-BSJXMRLOSA-N 0 0 460.571 2.910 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(N4CCCC4=O)c3)CC2)cc1 ZINC000031779295 556404231 /nfs/dbraw/zinc/40/42/31/556404231.db2.gz GTKSZLWFUWNGAN-UHFFFAOYSA-N 0 0 455.580 2.839 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(N4CCCC4=O)c3)CC2)cc1 ZINC000031779341 556404237 /nfs/dbraw/zinc/40/42/37/556404237.db2.gz MSFKAFZCQLWAMX-UHFFFAOYSA-N 0 0 471.579 2.539 40 0 JFABRN CO[C@@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@@H]1[C@](C)(COC(C)=O)CCC[C@]31C ZINC000067912881 560049413 /nfs/dbraw/zinc/04/94/13/560049413.db2.gz HDDNZVWBRRAOGK-AIQACZNWSA-N 0 0 464.555 2.767 40 0 biogenic,in-vitro JFABRN O=C([C@@H]1CSCN1)N1CCN2C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccc3NC(=O)[C@H]2C1 ZINC000067902338 560049624 /nfs/dbraw/zinc/04/96/24/560049624.db2.gz MEOQFMGKQIYVJD-RBUKOAKNSA-N 0 0 490.507 2.640 40 0 biogenic,in-vitro JFABRN COc1ccc(CN2C(=O)CO[C@H](c3ccc(NS(=O)(=O)c4ccccc4)cc3)[C@H]2CO)cc1 ZINC000072321321 560076664 /nfs/dbraw/zinc/07/66/64/560076664.db2.gz RVFBGXHEXHQJCP-ILBGXUMGSA-N 0 0 482.558 2.957 40 0 biogenic,in-vitro JFABRN COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4ccncc4)[C@@H]3CO)cc2)cc1OC ZINC000072321271 560076678 /nfs/dbraw/zinc/07/66/78/560076678.db2.gz RBLVSTDFRVNIKU-PXDATVDWSA-N 0 0 477.517 2.812 40 0 biogenic,in-vitro JFABRN Cc1ncsc1CN1C(=O)CO[C@H](c2ccc(NC(=O)COc3ccccc3)cc2)[C@H]1CO ZINC000072321206 560076726 /nfs/dbraw/zinc/07/67/26/560076726.db2.gz BXSKPHNRUZXSLX-HYBUGGRVSA-N 0 0 467.547 2.930 40 0 biogenic,in-vitro JFABRN COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)C[C@H]3CCCO3)cc2c1 ZINC000008582564 562939753 /nfs/dbraw/zinc/93/97/53/562939753.db2.gz GJMNUJOXQRUNPQ-JOCHJYFZSA-N 0 0 460.538 2.753 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@@H]3CCCO3)Cc3ccccc3OC)cc2c1 ZINC000008586258 562940925 /nfs/dbraw/zinc/94/09/25/562940925.db2.gz LPJMIKGVKUXFKJ-QFIPXVFZSA-N 0 0 490.564 2.913 40 0 JFABRN O=C(Nc1ccccc1)NC1C[C@H]2CC[C@@H](C1)N2Cc1nnnn1Cc1ccc2c(c1)OCO2 ZINC000008673140 562950108 /nfs/dbraw/zinc/95/01/08/562950108.db2.gz OXURZZJJFNIHHM-IHWFROFDSA-N 0 0 461.526 2.767 40 0 JFABRN O=S(=O)(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000036312381 563125665 /nfs/dbraw/zinc/12/56/65/563125665.db2.gz BBUAEVAMJJCQHV-UHFFFAOYSA-N 0 0 469.673 2.890 40 0 JFABRN CO[C@@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@H]1[C@](C)(COC(C)=O)CCC[C@@]13C ZINC000040937045 563158182 /nfs/dbraw/zinc/15/81/82/563158182.db2.gz HDDNZVWBRRAOGK-LQDYNQSPSA-N 0 0 464.555 2.767 40 0 biogenic,in-vitro JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000059418392 569603279 /nfs/dbraw/zinc/60/32/79/569603279.db2.gz PMNZWGBUXXSLFZ-AFHVAHMMSA-N 0 0 480.542 2.521 40 0 JFABRN COc1cc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)cc(OC)c1OC(C)=O ZINC000059596975 569607204 /nfs/dbraw/zinc/60/72/04/569607204.db2.gz OQXKNXSPLRBXHJ-UUASQNMZSA-N 0 0 476.308 2.557 40 0 JFABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 ZINC000033762250 569633953 /nfs/dbraw/zinc/63/39/53/569633953.db2.gz XXQSWPSGFNBJMW-IBGZPJMESA-N 0 0 469.567 2.635 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OC(C)=O)cc3Br)C2=O)o1 ZINC000033760944 569633980 /nfs/dbraw/zinc/63/39/80/569633980.db2.gz JALWAEJKWBQXOR-NSIKDUERSA-N 0 0 493.266 2.856 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N(CC(=O)NCCCOC(C)C)Cc2ccccc2)c1 ZINC000033829032 569635868 /nfs/dbraw/zinc/63/58/68/569635868.db2.gz NTBHBICSQRAOFL-UHFFFAOYSA-N 0 0 464.584 2.826 40 0 JFABRN CC1(C)[C@@]2(C(=O)NCCCCCNC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)CC[C@]1(C)C(=O)O2 ZINC000033931401 569637969 /nfs/dbraw/zinc/63/79/69/569637969.db2.gz SEFPLPMHIMRHQU-NGSHPTGOSA-N 0 0 462.587 2.633 40 0 JFABRN O=C(NC1CCCCC1)[C@H]1[C@H]2C=C[C@@]3(O2)[C@H](C(=O)NC2CCCCC2)N(Cc2cccnc2)C(=O)[C@@H]13 ZINC000033939825 569639203 /nfs/dbraw/zinc/63/92/03/569639203.db2.gz JXWVVJYVOKKCLC-AEQXRQRWSA-N 0 0 492.620 2.630 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(CCC(C)C)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@]2(C)O4)no1 ZINC000033939894 569639240 /nfs/dbraw/zinc/63/92/40/569639240.db2.gz IPSHFRYOSMALDM-VGSDRZRQSA-N 0 0 484.597 2.957 40 0 JFABRN O=C(Nc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N(Cc1cccnc1)[C@@H]3C(=O)NC1CCCCC1 ZINC000033939852 569639244 /nfs/dbraw/zinc/63/92/44/569639244.db2.gz BHXYDEVEZPKUAB-NRUNVSGISA-N 0 0 486.572 2.820 40 0 JFABRN COc1ccc(C(=O)Cn2nc3n(c2=O)c2ccccc2c(=O)n3Cc2ccc(F)cc2)cc1OC ZINC000064860630 569639471 /nfs/dbraw/zinc/63/94/71/569639471.db2.gz PBBVRROSTCUCJK-UHFFFAOYSA-N 0 0 488.475 2.898 40 0 JFABRN C#CCOc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Br ZINC000034690793 569645837 /nfs/dbraw/zinc/64/58/37/569645837.db2.gz MORSPSPHXOVOSL-GDNBJRDFSA-N 0 0 459.252 2.934 40 0 JFABRN O=C(CN(Cc1cccs1)C(=O)CN1C(=O)COc2ccccc21)NCc1cccs1 ZINC000035312450 569680142 /nfs/dbraw/zinc/68/01/42/569680142.db2.gz GJGROGYBYXZSDS-UHFFFAOYSA-N 0 0 455.561 2.880 40 0 JFABRN COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CN1C(=O)COc2ccc(C)cc21 ZINC000035312761 569680348 /nfs/dbraw/zinc/68/03/48/569680348.db2.gz KNOQAMBKTLKGFR-UHFFFAOYSA-N 0 0 451.523 2.821 40 0 JFABRN C#CCOc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000035332418 569680986 /nfs/dbraw/zinc/68/09/86/569680986.db2.gz DYXQZGOAHPIKLR-ZSOIEALJSA-N 0 0 459.798 2.733 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCSCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000068604660 569691489 /nfs/dbraw/zinc/69/14/89/569691489.db2.gz NWSFUPUKNHVFAT-UHFFFAOYSA-N 0 0 454.639 2.732 40 0 JFABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CS(=O)(=O)c4ccc(F)cc4)C3)cc2n1 ZINC000072341324 569703516 /nfs/dbraw/zinc/70/35/16/569703516.db2.gz GGSIETVMXRSOKL-CYBMUJFWSA-N 0 0 470.448 2.985 40 0 JFABRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000035843151 569714178 /nfs/dbraw/zinc/71/41/78/569714178.db2.gz VHIYIIXDRDRSKP-MTXNFPGFSA-N 0 0 465.893 2.697 40 0 JFABRN CCCNC(=O)Cn1c(=O)/c(=C/c2ccc(Cl)cc2Cl)s/c1=C/C(=O)C(C)(C)C ZINC000097993975 569748813 /nfs/dbraw/zinc/74/88/13/569748813.db2.gz RTWARCDRMOLLCW-NAXDKVQCSA-N 0 0 455.407 2.967 40 0 JFABRN CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@H]1CC(=O)NC1=O ZINC000100497637 569762485 /nfs/dbraw/zinc/76/24/85/569762485.db2.gz AYROAHKCSCARGF-SFTDATJTSA-N 0 0 450.491 2.898 40 0 JFABRN COc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)n(C)c21 ZINC000100846704 569772261 /nfs/dbraw/zinc/77/22/61/569772261.db2.gz XQKJTDBGZLMOSF-MSSWKIBUSA-N 0 0 475.592 2.787 40 0 JFABRN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)NCCc1c[nH]c2ccccc12 ZINC000100920265 569775886 /nfs/dbraw/zinc/77/58/86/569775886.db2.gz XSNTVONXBCPHDQ-BGYRXZFFSA-N 0 0 496.633 2.728 40 0 JFABRN O=C([C@H]1COc2ccccc2O1)N1CCN([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000101312770 569791860 /nfs/dbraw/zinc/79/18/60/569791860.db2.gz FLFHCZZAFBFTLF-FXAWDEMLSA-N 0 0 490.343 2.610 40 0 JFABRN CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccco1 ZINC000101489433 569799662 /nfs/dbraw/zinc/79/96/62/569799662.db2.gz CCPKINZVUSHSOQ-JQVVWYNYSA-N 0 0 475.611 2.822 40 0 JFABRN O=C(COc1ccc(Br)cc1[C@@H]1CC(=O)N=C2NC=NN21)Nc1ccc(F)cc1 ZINC000038200985 569800797 /nfs/dbraw/zinc/80/07/97/569800797.db2.gz CWVMRLZDZISACZ-HNNXBMFYSA-N 0 0 460.263 2.782 40 0 JFABRN O=C(COc1ccccc1[C@H]1CC(=O)N=C2NC=NN21)Nc1ccc(Br)cc1F ZINC000038199674 569800820 /nfs/dbraw/zinc/80/08/20/569800820.db2.gz KIFASWZOXIJDOW-OAHLLOKOSA-N 0 0 460.263 2.782 40 0 JFABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(Cl)c1 ZINC000038753581 569806478 /nfs/dbraw/zinc/80/64/78/569806478.db2.gz RWDDVNVSXAUQIW-CQSZACIVSA-N 0 0 451.932 2.873 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c(Cl)c1 ZINC000038756105 569807237 /nfs/dbraw/zinc/80/72/37/569807237.db2.gz GFJBLIMWOVCNDW-UHFFFAOYSA-N 0 0 470.931 2.939 40 0 JFABRN CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)cc2Cl)CC(=O)N3)CC1 ZINC000038828353 569808197 /nfs/dbraw/zinc/80/81/97/569808197.db2.gz HIQQOYSPRAKPSP-CQSZACIVSA-N 0 0 487.944 2.576 40 0 JFABRN CCOC(=O)c1c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)sc2c1CCCC2 ZINC000038857854 569808980 /nfs/dbraw/zinc/80/89/80/569808980.db2.gz YAOXJOUYKVMJJK-INIZCTEOSA-N 0 0 464.565 2.969 40 0 JFABRN CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3CC(=O)OC)cn(CC(=O)NCc3ccco3)c21 ZINC000039556595 569810563 /nfs/dbraw/zinc/81/05/63/569810563.db2.gz GJACSCNUXBXWNL-JAIQZWGSSA-N 0 0 494.573 2.686 40 0 JFABRN CCOC(=O)[C@@H]1CCCN(c2nc3ncc4c(c3c(=O)[nH]2)C[C@@H](c2ccccc2O)CC4=O)C1 ZINC000040372947 569824218 /nfs/dbraw/zinc/82/42/18/569824218.db2.gz MZLFONIAUDBZBN-HUUCEWRRSA-N 0 0 462.506 2.716 40 0 JFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(OC)ccc1OC)CC(=O)N2 ZINC000040390611 569825120 /nfs/dbraw/zinc/82/51/20/569825120.db2.gz CXCITGVSQUWLOC-HIFRSBDPSA-N 0 0 455.515 2.621 40 0 JFABRN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)CC(=O)N3)cc1 ZINC000040399843 569826890 /nfs/dbraw/zinc/82/68/90/569826890.db2.gz BMEKNVGVZLAYIC-KRWDZBQOSA-N 0 0 462.466 2.545 40 0 JFABRN COC(=O)C(O)=C(C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc(Cl)cc2[nH]c1=O ZINC000102970999 569830417 /nfs/dbraw/zinc/83/04/17/569830417.db2.gz ZTPMQORLPXXNFA-INIZCTEOSA-N 0 0 455.854 2.639 40 0 JFABRN COc1ccc(CCNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1OC ZINC000044791321 569838739 /nfs/dbraw/zinc/83/87/39/569838739.db2.gz UQXDKDNTUHLQAY-UHFFFAOYSA-N 0 0 471.373 2.591 40 0 JFABRN COC(=O)c1c2c(sc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1OC)CCCC2 ZINC000105632981 569853257 /nfs/dbraw/zinc/85/32/57/569853257.db2.gz XTEKJPFACJNLIB-UHFFFAOYSA-N 0 0 494.591 2.695 40 0 JFABRN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc1OC ZINC000106744553 569855429 /nfs/dbraw/zinc/85/54/29/569855429.db2.gz NEESVBYRBHTMHA-QPEQYQDCSA-N 0 0 488.312 2.609 40 0 JFABRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC ZINC000106765567 569855721 /nfs/dbraw/zinc/85/57/21/569855721.db2.gz IKRYWDNCKMZFIT-YBEGLDIGSA-N 0 0 482.942 2.949 40 0 JFABRN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000107613326 569856747 /nfs/dbraw/zinc/85/67/47/569856747.db2.gz DIIVNOYSMKCVGP-IBGZPJMESA-N 0 0 469.567 2.809 40 0 JFABRN COc1ccc(N(CCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)cc1 ZINC000113961692 569862595 /nfs/dbraw/zinc/86/25/95/569862595.db2.gz KSSFZZCQQYKVIA-UHFFFAOYSA-N 0 0 472.567 2.678 40 0 JFABRN Cc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)c1C ZINC000113960885 569862602 /nfs/dbraw/zinc/86/26/02/569862602.db2.gz ZUPSIBSWEIIPOX-UHFFFAOYSA-N 0 0 473.595 2.961 40 0 JFABRN COC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@H]3CC[C@]12C ZINC000118923331 569863651 /nfs/dbraw/zinc/86/36/51/569863651.db2.gz LGILGNKVRXMEMW-FYYHNWSASA-N 0 0 466.571 2.523 40 0 JFABRN CC(=O)OC[C@]12CC[C@H](OC(C)=O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O ZINC000118924614 569863695 /nfs/dbraw/zinc/86/36/95/569863695.db2.gz BGGCJYNRGWRMDK-ABLVIXHKSA-N 0 0 490.593 2.833 40 0 JFABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)C(C)=O)[C@@H]3C[C@@H](OC(C)=O)[C@@]2(O)C1 ZINC000123433728 569864416 /nfs/dbraw/zinc/86/44/16/569864416.db2.gz CCRRWNAJAQSPHF-YYJHPZJLSA-N 0 0 450.572 2.937 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O ZINC000138687116 569866253 /nfs/dbraw/zinc/86/62/53/569866253.db2.gz CHCQWNIQPRKJLK-CQSZACIVSA-N 0 0 463.412 2.689 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O ZINC000138687227 569866255 /nfs/dbraw/zinc/86/62/55/569866255.db2.gz CHCQWNIQPRKJLK-AWEZNQCLSA-N 0 0 463.412 2.689 40 0 JFABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c(C)c1 ZINC000139064945 569866922 /nfs/dbraw/zinc/86/69/22/569866922.db2.gz XKEOTFCFBXOXSE-INIZCTEOSA-N 0 0 488.338 2.741 40 0 JFABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC(=O)N3)C1 ZINC000139078795 569867013 /nfs/dbraw/zinc/86/70/13/569867013.db2.gz IHEWOQODZMQRBP-SMDDNHRTSA-N 0 0 465.432 2.969 40 0 JFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N2 ZINC000139109159 569867148 /nfs/dbraw/zinc/86/71/48/569867148.db2.gz VUUKDJYRWFNEFB-DLBZAZTESA-N 0 0 452.515 2.562 40 0 JFABRN COCCOc1cnc2ccn([C@@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn43)c(=O)c2c1 ZINC000144562590 569867746 /nfs/dbraw/zinc/86/77/46/569867746.db2.gz DWHXUGDWKAIASB-AWEZNQCLSA-N 0 0 463.473 2.613 40 0 JFABRN Cc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C[C@H](C5=Cc6sc(=O)[nH]c6S[C@H]54)[C@H]3C2=O)c1 ZINC000170612646 569872851 /nfs/dbraw/zinc/87/28/51/569872851.db2.gz HLKYYESPTLHTQY-JKJJVEFESA-N 0 0 467.572 2.882 40 0 JFABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCSCc2ccc(Cl)cc2Cl)C1 ZINC000216264942 569878066 /nfs/dbraw/zinc/87/80/66/569878066.db2.gz WWQCBNTYRPXCEC-ZDUSSCGKSA-N 0 0 454.445 2.861 40 0 JFABRN COc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000216271539 569878068 /nfs/dbraw/zinc/87/80/68/569878068.db2.gz ZKYLQSBJKHFLLL-QGZVFWFLSA-N 0 0 464.559 2.960 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222400309 569884113 /nfs/dbraw/zinc/88/41/13/569884113.db2.gz XGPPCCKBYYAAFC-BDTNDASRSA-N 0 0 453.583 2.968 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222404082 569884123 /nfs/dbraw/zinc/88/41/23/569884123.db2.gz PICIXLXFPHOTEH-NRFANRHFSA-N 0 0 485.606 2.862 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222428068 569884224 /nfs/dbraw/zinc/88/42/24/569884224.db2.gz MWLDWDCLVNEYPZ-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222436964 569884337 /nfs/dbraw/zinc/88/43/37/569884337.db2.gz IAQISMVHAWCKLI-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222437236 569884352 /nfs/dbraw/zinc/88/43/52/569884352.db2.gz CNSMCUADYPVKNE-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000222504137 569885012 /nfs/dbraw/zinc/88/50/12/569885012.db2.gz KVAZDELHEBNLGY-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222517803 569885115 /nfs/dbraw/zinc/88/51/15/569885115.db2.gz BYIVDLDEOIQVPO-CYBMUJFWSA-N 0 0 473.929 2.548 40 0 JFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222529624 569885180 /nfs/dbraw/zinc/88/51/80/569885180.db2.gz SSPDLVQFYLMUSC-AOHZBQACSA-N 0 0 491.563 2.853 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000222551060 569885643 /nfs/dbraw/zinc/88/56/43/569885643.db2.gz AMCABCCROFEIHZ-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC)S(C)(=O)=O ZINC000222553274 569885692 /nfs/dbraw/zinc/88/56/92/569885692.db2.gz MSXZNFBHTJVWAE-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)C1 ZINC000222557717 569885830 /nfs/dbraw/zinc/88/58/30/569885830.db2.gz ZPPMDUUGACHHEV-MRXNPFEDSA-N 0 0 498.026 2.702 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c2ccccc2O1 ZINC000222564904 569885879 /nfs/dbraw/zinc/88/58/79/569885879.db2.gz AWCRHEUYGHANGY-DENIHFKCSA-N 0 0 486.590 2.980 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222569312 569885957 /nfs/dbraw/zinc/88/59/57/569885957.db2.gz XNZSKWAWIWBIFU-SFHVURJKSA-N 0 0 495.045 2.733 40 0 JFABRN COc1cccc(-c2noc(CNC(=O)CCCN(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)c1 ZINC000222601508 569886726 /nfs/dbraw/zinc/88/67/26/569886726.db2.gz ZGYFUASJZVKCAO-UHFFFAOYSA-N 0 0 480.493 2.886 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c2ccccc2O1 ZINC000222628551 569887306 /nfs/dbraw/zinc/88/73/06/569887306.db2.gz IAFPOHCAWXDEIK-JOCHJYFZSA-N 0 0 488.562 2.644 40 0 JFABRN COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000222634193 569887402 /nfs/dbraw/zinc/88/74/02/569887402.db2.gz YGCTXXVHBNCECV-UHFFFAOYSA-N 0 0 484.574 2.920 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222636348 569887447 /nfs/dbraw/zinc/88/74/47/569887447.db2.gz QATJOTSISPQDIH-JOCHJYFZSA-N 0 0 492.617 2.771 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c2ccccc2O1 ZINC000222652839 569887795 /nfs/dbraw/zinc/88/77/95/569887795.db2.gz WDBUQEONUMMBLL-HSZRJFAPSA-N 0 0 496.541 2.511 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)s1 ZINC000222687499 569888553 /nfs/dbraw/zinc/88/85/53/569888553.db2.gz AMTHUDRDDDETGY-SECBINFHSA-N 0 0 498.530 2.615 40 0 JFABRN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000222723223 569889552 /nfs/dbraw/zinc/88/95/52/569889552.db2.gz FNAPCHXKEMEGQJ-HNNXBMFYSA-N 0 0 479.986 2.538 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222732806 569889767 /nfs/dbraw/zinc/88/97/67/569889767.db2.gz XAPNLEVTQWWUTE-GOSISDBHSA-N 0 0 457.596 2.613 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222732873 569889773 /nfs/dbraw/zinc/88/97/73/569889773.db2.gz XAPNLEVTQWWUTE-SFHVURJKSA-N 0 0 457.596 2.613 40 0 JFABRN Cc1ccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222777299 569890869 /nfs/dbraw/zinc/89/08/69/569890869.db2.gz XXDJRSKYCAQMON-SFHVURJKSA-N 0 0 485.606 2.862 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCc1cccc2ccccc21 ZINC000222793243 569891227 /nfs/dbraw/zinc/89/12/27/569891227.db2.gz IGMUNWUWLVHOLA-UHFFFAOYSA-N 0 0 454.548 2.864 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222796966 569891337 /nfs/dbraw/zinc/89/13/37/569891337.db2.gz RYJWPTUDRJDFRY-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN Cc1nc(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)n[nH]1 ZINC000222803905 569891481 /nfs/dbraw/zinc/89/14/81/569891481.db2.gz XDTQMADJDKBMQM-UHFFFAOYSA-N 0 0 479.559 2.649 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222826676 569892066 /nfs/dbraw/zinc/89/20/66/569892066.db2.gz GPPFJUDWNYCKON-QFIPXVFZSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222837810 569892331 /nfs/dbraw/zinc/89/23/31/569892331.db2.gz DGDWJACHULANAO-QHCPKHFHSA-N 0 0 489.638 2.956 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c2ccccc2O1 ZINC000222845799 569892552 /nfs/dbraw/zinc/89/25/52/569892552.db2.gz PPJNZWJNWLWLKR-OAQYLSRUSA-N 0 0 460.552 2.521 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c2ccccc2O1 ZINC000222845734 569892569 /nfs/dbraw/zinc/89/25/69/569892569.db2.gz PPJNZWJNWLWLKR-NRFANRHFSA-N 0 0 460.552 2.521 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000222847192 569892576 /nfs/dbraw/zinc/89/25/76/569892576.db2.gz ALWJGWPMDCWAQT-UHFFFAOYSA-N 0 0 481.640 2.751 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222858943 569892924 /nfs/dbraw/zinc/89/29/24/569892924.db2.gz DOJMPUYQRCXGHW-IBGZPJMESA-N 0 0 477.602 2.777 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222865043 569893048 /nfs/dbraw/zinc/89/30/48/569893048.db2.gz PADNCIQLJQUZKE-QFIPXVFZSA-N 0 0 475.611 2.793 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c2ccccc2O1 ZINC000222868828 569893120 /nfs/dbraw/zinc/89/31/20/569893120.db2.gz KONVDBLDRGJJDL-HXUWFJFHSA-N 0 0 460.552 2.663 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000222868534 569893138 /nfs/dbraw/zinc/89/31/38/569893138.db2.gz KVNUJGAFRMSGLJ-QGZVFWFLSA-N 0 0 463.575 2.610 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222873292 569893244 /nfs/dbraw/zinc/89/32/44/569893244.db2.gz LTLLNEJFOVLMQG-GOSISDBHSA-N 0 0 475.586 2.706 40 0 JFABRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000222873492 569893259 /nfs/dbraw/zinc/89/32/59/569893259.db2.gz PTVHSNJKIGSSTD-UHFFFAOYSA-N 0 0 467.613 2.505 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1OC ZINC000222873368 569893260 /nfs/dbraw/zinc/89/32/60/569893260.db2.gz QGKJVZWWWPAOIG-UHFFFAOYSA-N 0 0 497.573 2.893 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000222877494 569893372 /nfs/dbraw/zinc/89/33/72/569893372.db2.gz BFILDZHNFONVSS-KRWDZBQOSA-N 0 0 493.601 2.932 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(S(=O)(=O)NC)ccc2C)cc1 ZINC000222885956 569893597 /nfs/dbraw/zinc/89/35/97/569893597.db2.gz HTPSFXOYCUZRFB-UHFFFAOYSA-N 0 0 467.613 2.505 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000222888269 569893624 /nfs/dbraw/zinc/89/36/24/569893624.db2.gz TVPJFEMEAYJLAD-LJQANCHMSA-N 0 0 459.612 2.782 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222886964 569893636 /nfs/dbraw/zinc/89/36/36/569893636.db2.gz YAAJWUXJGWLMKA-QGZVFWFLSA-N 0 0 475.586 2.752 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222891094 569893732 /nfs/dbraw/zinc/89/37/32/569893732.db2.gz ZZTXGIHGPLIHKR-KRWDZBQOSA-N 0 0 466.003 2.620 40 0 JFABRN COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1OC ZINC000222895784 569893839 /nfs/dbraw/zinc/89/38/39/569893839.db2.gz XWKIWGLIDUHBMP-UHFFFAOYSA-N 0 0 462.553 2.937 40 0 JFABRN COc1ccc(C(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1S(=O)(=O)NC(C)C ZINC000222899154 569893861 /nfs/dbraw/zinc/89/38/61/569893861.db2.gz QGMIORWGWHUIEH-UHFFFAOYSA-N 0 0 466.556 2.680 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222902262 569893948 /nfs/dbraw/zinc/89/39/48/569893948.db2.gz SQTXPXOGASDQGN-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222904271 569893987 /nfs/dbraw/zinc/89/39/87/569893987.db2.gz DHEKSJMBLZSROJ-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCOc1ccc(N(CCCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222914141 569894204 /nfs/dbraw/zinc/89/42/04/569894204.db2.gz WCNVQCBEDGIRRJ-FQEVSTJZSA-N 0 0 489.638 2.837 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222914681 569894257 /nfs/dbraw/zinc/89/42/57/569894257.db2.gz RQPCYWQEKHFCJC-SFHVURJKSA-N 0 0 463.575 2.578 40 0 JFABRN C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222926766 569894577 /nfs/dbraw/zinc/89/45/77/569894577.db2.gz PVUJXOFECSOGTR-GOSISDBHSA-N 0 0 461.965 2.887 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222928365 569894660 /nfs/dbraw/zinc/89/46/60/569894660.db2.gz ZBYMEFYZTLHPPZ-QHCPKHFHSA-N 0 0 488.654 2.674 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222935668 569894851 /nfs/dbraw/zinc/89/48/51/569894851.db2.gz SFJAOFDLDHHPKZ-LJQANCHMSA-N 0 0 451.976 2.659 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222935460 569894872 /nfs/dbraw/zinc/89/48/72/569894872.db2.gz IXIVYZDWTAYBAV-IBGZPJMESA-N 0 0 451.976 2.659 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222935525 569894884 /nfs/dbraw/zinc/89/48/84/569894884.db2.gz IXIVYZDWTAYBAV-LJQANCHMSA-N 0 0 451.976 2.659 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222938206 569894933 /nfs/dbraw/zinc/89/49/33/569894933.db2.gz AREAKJFRHZRTRM-LJQANCHMSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000222951943 569895294 /nfs/dbraw/zinc/89/52/94/569895294.db2.gz LJVFDVHQKMZFEG-GOSISDBHSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222952976 569895341 /nfs/dbraw/zinc/89/53/41/569895341.db2.gz KLOWVGZCPBSVHP-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN C[C@@H](C(=O)NCc1ccccc1CN1CCCC1=O)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222953594 569895351 /nfs/dbraw/zinc/89/53/51/569895351.db2.gz QLEATIFVOOSBNY-HNNXBMFYSA-N 0 0 465.522 2.558 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222960244 569895493 /nfs/dbraw/zinc/89/54/93/569895493.db2.gz DRRWCXMJSANRPP-HXUWFJFHSA-N 0 0 475.611 2.795 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222964129 569895582 /nfs/dbraw/zinc/89/55/82/569895582.db2.gz OOWJHWOWPGCPDZ-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222981839 569896045 /nfs/dbraw/zinc/89/60/45/569896045.db2.gz QZPXYXXJCIMUMY-IBGZPJMESA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222981393 569896062 /nfs/dbraw/zinc/89/60/62/569896062.db2.gz GPNXXDHJBYKXBS-JOCHJYFZSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000222984252 569896166 /nfs/dbraw/zinc/89/61/66/569896166.db2.gz WFFGPMHNWHNRMS-FQEVSTJZSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222985018 569896184 /nfs/dbraw/zinc/89/61/84/569896184.db2.gz YKZYZJLHRBXSGK-HXUWFJFHSA-N 0 0 496.029 2.976 40 0 JFABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCCN2CCOCC2)cc1 ZINC000222999266 569896543 /nfs/dbraw/zinc/89/65/43/569896543.db2.gz OIKVVHURVMKOKD-LJQANCHMSA-N 0 0 474.001 2.757 40 0 JFABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCN2CCOCC2)cc1 ZINC000222999203 569896582 /nfs/dbraw/zinc/89/65/82/569896582.db2.gz OIKVVHURVMKOKD-IBGZPJMESA-N 0 0 474.001 2.757 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223006355 569896692 /nfs/dbraw/zinc/89/66/92/569896692.db2.gz FHSONBZKRHSBRL-JOCHJYFZSA-N 0 0 459.612 2.949 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223032400 569897362 /nfs/dbraw/zinc/89/73/62/569897362.db2.gz ZNCGETJSZKQJHE-HXUWFJFHSA-N 0 0 496.029 2.976 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223032894 569897365 /nfs/dbraw/zinc/89/73/65/569897365.db2.gz JPYQFQYWRPEFNR-ILWGZMRPSA-N 0 0 453.583 2.970 40 0 JFABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCCO)cc1OC ZINC000223032022 569897388 /nfs/dbraw/zinc/89/73/88/569897388.db2.gz QCMJTXNJCSCKTE-DEOSSOPVSA-N 0 0 476.573 2.995 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223037149 569897474 /nfs/dbraw/zinc/89/74/74/569897474.db2.gz OGSWFDIJEIXUGM-KRWDZBQOSA-N 0 0 493.601 2.932 40 0 JFABRN O=C(NCCSc1n[nH]c(-c2ccccc2)n1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000223040772 569897519 /nfs/dbraw/zinc/89/75/19/569897519.db2.gz LUALXJVPPCFQJR-UHFFFAOYSA-N 0 0 452.565 2.942 40 0 JFABRN COc1cccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223050507 569897753 /nfs/dbraw/zinc/89/77/53/569897753.db2.gz XMSNWUBRFBXQKR-DZFGPLHGSA-N 0 0 469.582 2.668 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223052607 569897880 /nfs/dbraw/zinc/89/78/80/569897880.db2.gz LYTQADDSUWOVIN-FQEVSTJZSA-N 0 0 466.003 2.822 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 ZINC000223062999 569898204 /nfs/dbraw/zinc/89/82/04/569898204.db2.gz SEOUUXRNFGVSGY-OAHLLOKOSA-N 0 0 464.540 2.856 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)s1 ZINC000223068261 569898410 /nfs/dbraw/zinc/89/84/10/569898410.db2.gz AKDHBCNCJZUTFH-UHFFFAOYSA-N 0 0 472.614 2.605 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223075418 569898667 /nfs/dbraw/zinc/89/86/67/569898667.db2.gz XZLNRIXBWUYGTJ-JOCHJYFZSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223075117 569898692 /nfs/dbraw/zinc/89/86/92/569898692.db2.gz QPYHDEAHZILVKY-OAQYLSRUSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223078202 569898777 /nfs/dbraw/zinc/89/87/77/569898777.db2.gz MLTSERXKJGRCPH-HXUWFJFHSA-N 0 0 475.611 2.631 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223086202 569899065 /nfs/dbraw/zinc/89/90/65/569899065.db2.gz MXZXVJZXLXOTNY-IBGZPJMESA-N 0 0 485.606 2.863 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223091589 569899188 /nfs/dbraw/zinc/89/91/88/569899188.db2.gz AHOWIZPAPXHIFR-QFIPXVFZSA-N 0 0 488.654 2.778 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223098741 569899366 /nfs/dbraw/zinc/89/93/66/569899366.db2.gz YMCGAQPLZZLYAX-FQEVSTJZSA-N 0 0 466.003 2.822 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)s1 ZINC000223100397 569899437 /nfs/dbraw/zinc/89/94/37/569899437.db2.gz LKUVZOBKQYMPSH-UHFFFAOYSA-N 0 0 491.016 2.884 40 0 JFABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223114615 569899795 /nfs/dbraw/zinc/89/97/95/569899795.db2.gz GJPTWPYHIXSAOG-QFIPXVFZSA-N 0 0 494.057 2.944 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223116361 569899867 /nfs/dbraw/zinc/89/98/67/569899867.db2.gz XLYNUDNWAXDJIF-HXUWFJFHSA-N 0 0 488.654 2.674 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223122295 569900140 /nfs/dbraw/zinc/90/01/40/569900140.db2.gz WWFVWLZPRRAWQB-HXUWFJFHSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223131389 569900446 /nfs/dbraw/zinc/90/04/46/569900446.db2.gz IKLISQHUXFHDPK-SJORKVTESA-N 0 0 489.569 2.692 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223132212 569900515 /nfs/dbraw/zinc/90/05/15/569900515.db2.gz LXICMKVRHKFQEL-FCEUIQTBSA-N 0 0 453.583 2.970 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223133472 569900564 /nfs/dbraw/zinc/90/05/64/569900564.db2.gz HLXWCAWKZCQNTM-FQEVSTJZSA-N 0 0 481.018 2.506 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223168289 569901843 /nfs/dbraw/zinc/90/18/43/569901843.db2.gz XXCMSDAQXUBDBT-IBGZPJMESA-N 0 0 496.029 2.976 40 0 JFABRN CCOC(=O)c1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223168931 569901869 /nfs/dbraw/zinc/90/18/69/569901869.db2.gz FCPUFLIJBVHYKW-UHFFFAOYSA-N 0 0 462.524 2.819 40 0 JFABRN CCOc1cc(CNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)ccc1OC ZINC000223174201 569902006 /nfs/dbraw/zinc/90/20/06/569902006.db2.gz RZHKXIAQGGKRJE-UHFFFAOYSA-N 0 0 478.567 2.728 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000223173280 569902035 /nfs/dbraw/zinc/90/20/35/569902035.db2.gz SXUBFQYFFIUBLP-QFIPXVFZSA-N 0 0 458.580 2.843 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)s2)cc1 ZINC000223175420 569902074 /nfs/dbraw/zinc/90/20/74/569902074.db2.gz JFUZVVHWAZCOJA-CYBMUJFWSA-N 0 0 490.563 2.778 40 0 JFABRN O=C(COc1ccccc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCO ZINC000223216747 569903744 /nfs/dbraw/zinc/90/37/44/569903744.db2.gz BLINPOJAKIHOMO-XMMPIXPASA-N 0 0 450.510 2.953 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000223217116 569903822 /nfs/dbraw/zinc/90/38/22/569903822.db2.gz ZMHRYBCVNHJZAU-NRFANRHFSA-N 0 0 463.575 2.708 40 0 JFABRN CC[C@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223227925 569904184 /nfs/dbraw/zinc/90/41/84/569904184.db2.gz OZGJLHFXGXFDBZ-CQSZACIVSA-N 0 0 472.614 2.603 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223234731 569904479 /nfs/dbraw/zinc/90/44/79/569904479.db2.gz OSBIEOZZUZOYJT-JOCHJYFZSA-N 0 0 493.601 2.934 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223252441 569904936 /nfs/dbraw/zinc/90/49/36/569904936.db2.gz LIFXXKLTFNDIHH-GOSISDBHSA-N 0 0 463.575 2.925 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223263431 569905311 /nfs/dbraw/zinc/90/53/11/569905311.db2.gz SEMGTMIKANAKKH-QGZVFWFLSA-N 0 0 498.388 2.691 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223273138 569905784 /nfs/dbraw/zinc/90/57/84/569905784.db2.gz USGKDAXYKZBDCH-DZFGPLHGSA-N 0 0 457.546 2.800 40 0 JFABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 ZINC000223274757 569905852 /nfs/dbraw/zinc/90/58/52/569905852.db2.gz KVWNJLFFVGTFCE-VWLOTQADSA-N 0 0 467.610 2.740 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000223276671 569905908 /nfs/dbraw/zinc/90/59/08/569905908.db2.gz BYVSMDYKPXCWSG-HUUCEWRRSA-N 0 0 464.540 2.507 40 0 JFABRN CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223296607 569906520 /nfs/dbraw/zinc/90/65/20/569906520.db2.gz PYADWFGLSFPTBH-RUZDIDTESA-N 0 0 479.602 2.964 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)[C@@H]3CCN(S(C)(=O)=O)c4ccccc4O3)s2)cc1 ZINC000223334972 569907899 /nfs/dbraw/zinc/90/78/99/569907899.db2.gz SRXDXFFVQWFWDD-KRWDZBQOSA-N 0 0 460.537 2.770 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)s1 ZINC000223362181 569908777 /nfs/dbraw/zinc/90/87/77/569908777.db2.gz RSXKFJIXRJNPHI-JTQLQIEISA-N 0 0 479.005 2.558 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223387143 569909501 /nfs/dbraw/zinc/90/95/01/569909501.db2.gz VIKAOBFKUFICEO-NRFANRHFSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223387057 569909507 /nfs/dbraw/zinc/90/95/07/569909507.db2.gz IMPJYESRPZBJFZ-OAQYLSRUSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223387470 569909529 /nfs/dbraw/zinc/90/95/29/569909529.db2.gz AYGPRSVKWWLJTQ-JOCHJYFZSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000223433515 569911246 /nfs/dbraw/zinc/91/12/46/569911246.db2.gz DZBRHVPNUPQMRY-HXUWFJFHSA-N 0 0 496.029 2.976 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223440957 569911479 /nfs/dbraw/zinc/91/14/79/569911479.db2.gz LROVYXMIWBLIMV-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223440727 569911493 /nfs/dbraw/zinc/91/14/93/569911493.db2.gz ZUBDOBABQNSPSM-FQEVSTJZSA-N 0 0 499.992 2.807 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223445567 569911595 /nfs/dbraw/zinc/91/15/95/569911595.db2.gz QPSRXBMZBXKLAQ-QFIPXVFZSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223476244 569912568 /nfs/dbraw/zinc/91/25/68/569912568.db2.gz YEUCRSOCJFDDOW-LJQANCHMSA-N 0 0 496.029 2.711 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223494329 569913408 /nfs/dbraw/zinc/91/34/08/569913408.db2.gz FRFYGWJLXZSJFJ-JOCHJYFZSA-N 0 0 459.612 2.829 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223496670 569913543 /nfs/dbraw/zinc/91/35/43/569913543.db2.gz ISMDVZDHWIGFCR-FQEVSTJZSA-N 0 0 466.003 2.556 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223497864 569913574 /nfs/dbraw/zinc/91/35/74/569913574.db2.gz SRBPPJYORAYIMR-QHCPKHFHSA-N 0 0 489.638 2.837 40 0 JFABRN CC[C@@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223504083 569913849 /nfs/dbraw/zinc/91/38/49/569913849.db2.gz KLOUYLXGZMNSOQ-LBPRGKRZSA-N 0 0 479.005 2.640 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223518670 569914358 /nfs/dbraw/zinc/91/43/58/569914358.db2.gz HQUXGZCEDYFZCS-MRXNPFEDSA-N 0 0 496.427 2.769 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223518336 569914326 /nfs/dbraw/zinc/91/43/26/569914326.db2.gz PUCFKPFJROALLO-INIZCTEOSA-N 0 0 451.976 2.659 40 0 JFABRN COc1ccc(N(CC(=O)NCCOc2cccc3ccccc32)S(C)(=O)=O)c(OC)c1 ZINC000223518809 569914362 /nfs/dbraw/zinc/91/43/62/569914362.db2.gz LLESWAOBAZYUMI-UHFFFAOYSA-N 0 0 458.536 2.818 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223528534 569914624 /nfs/dbraw/zinc/91/46/24/569914624.db2.gz JDPZOORFOBGZAE-HXUWFJFHSA-N 0 0 459.612 2.829 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223532244 569914802 /nfs/dbraw/zinc/91/48/02/569914802.db2.gz XTMQTOZNUFQFDQ-GOSISDBHSA-N 0 0 489.594 2.515 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223532105 569914835 /nfs/dbraw/zinc/91/48/35/569914835.db2.gz DKSHBWSCQVRTHZ-LJQANCHMSA-N 0 0 477.602 2.968 40 0 JFABRN CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000223536912 569915058 /nfs/dbraw/zinc/91/50/58/569915058.db2.gz LEFCBIOJNSTZHT-QGZVFWFLSA-N 0 0 494.620 2.932 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223565129 569916292 /nfs/dbraw/zinc/91/62/92/569916292.db2.gz UQBZBIACKWBEFH-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223565195 569916296 /nfs/dbraw/zinc/91/62/96/569916296.db2.gz UQBZBIACKWBEFH-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)c1cc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)ccc1OC ZINC000223598370 569917371 /nfs/dbraw/zinc/91/73/71/569917371.db2.gz JIAHPANCPSEEKL-UHFFFAOYSA-N 0 0 450.904 2.627 40 0 JFABRN Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1I ZINC000223605315 569917610 /nfs/dbraw/zinc/91/76/10/569917610.db2.gz GGDCNFKVFMYBNY-HZPDHXFCSA-N 0 0 456.353 2.986 40 0 JFABRN C[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223608560 569917751 /nfs/dbraw/zinc/91/77/51/569917751.db2.gz HDFUYKYWGMQVHX-KRWDZBQOSA-N 0 0 470.547 2.961 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223611109 569917844 /nfs/dbraw/zinc/91/78/44/569917844.db2.gz BQSMOWLSBHQXAH-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223611333 569917890 /nfs/dbraw/zinc/91/78/90/569917890.db2.gz IKYMWEBOXINLAA-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223623938 569918279 /nfs/dbraw/zinc/91/82/79/569918279.db2.gz JPILQBPUMBTXEZ-OAQYLSRUSA-N 0 0 488.654 2.778 40 0 JFABRN Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)n2)c1 ZINC000223628253 569918319 /nfs/dbraw/zinc/91/83/19/569918319.db2.gz FAAQLCOKVHKFAC-UHFFFAOYSA-N 0 0 450.546 2.702 40 0 JFABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223634631 569918601 /nfs/dbraw/zinc/91/86/01/569918601.db2.gz WLIPPFDWJRFBOZ-NRFANRHFSA-N 0 0 485.606 2.863 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223652266 569919010 /nfs/dbraw/zinc/91/90/10/569919010.db2.gz SOSYOMSGKXIJAD-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1OC ZINC000223660269 569919313 /nfs/dbraw/zinc/91/93/13/569919313.db2.gz VLNVYWFUUREWGP-UHFFFAOYSA-N 0 0 464.584 2.817 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223676427 569919739 /nfs/dbraw/zinc/91/97/39/569919739.db2.gz UJRWYSMKCYNKRN-FQEVSTJZSA-N 0 0 459.612 2.949 40 0 JFABRN CCc1ccc(OCCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 ZINC000223695219 569920257 /nfs/dbraw/zinc/92/02/57/569920257.db2.gz XDLMLJZICHBOMF-UHFFFAOYSA-N 0 0 455.374 2.973 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223696922 569920286 /nfs/dbraw/zinc/92/02/86/569920286.db2.gz OGHDJGOVDCKGDA-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223698789 569920382 /nfs/dbraw/zinc/92/03/82/569920382.db2.gz AUGARLZXDKFQMD-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223698651 569920384 /nfs/dbraw/zinc/92/03/84/569920384.db2.gz WSQSEOGHNBONDE-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccccc1C(C)(C)C)c1ccc(F)cc1 ZINC000223701822 569920424 /nfs/dbraw/zinc/92/04/24/569920424.db2.gz TVPDLEPEBTWONW-UHFFFAOYSA-N 0 0 451.564 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223741778 569921820 /nfs/dbraw/zinc/92/18/20/569921820.db2.gz OOCAVTSESVICSP-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223746843 569921943 /nfs/dbraw/zinc/92/19/43/569921943.db2.gz CZJHDFFYACISSC-YUXAGFNASA-N 0 0 451.567 2.804 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223759966 569922405 /nfs/dbraw/zinc/92/24/05/569922405.db2.gz LLHXHAKMSOAILE-KRWDZBQOSA-N 0 0 466.003 2.822 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223761645 569922416 /nfs/dbraw/zinc/92/24/16/569922416.db2.gz YEICOBWYRJWHGE-MRXNPFEDSA-N 0 0 499.008 2.645 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCOc1ccccc1C(C)C)c1ccc2c(c1)OCCO2 ZINC000223777418 569922957 /nfs/dbraw/zinc/92/29/57/569922957.db2.gz MWAUASQLUKAXRQ-UHFFFAOYSA-N 0 0 462.568 2.933 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223786241 569923293 /nfs/dbraw/zinc/92/32/93/569923293.db2.gz RTLBKUCLGVVNNJ-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223789646 569923390 /nfs/dbraw/zinc/92/33/90/569923390.db2.gz CWQZTYRZZQXSIC-GOSISDBHSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223792998 569923502 /nfs/dbraw/zinc/92/35/02/569923502.db2.gz VOFSCVUCHKWXMZ-KRWDZBQOSA-N 0 0 463.575 2.708 40 0 JFABRN Cc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223810918 569924066 /nfs/dbraw/zinc/92/40/66/569924066.db2.gz NJGWNSKIMPPHNR-SFHVURJKSA-N 0 0 483.590 2.616 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223827938 569924535 /nfs/dbraw/zinc/92/45/35/569924535.db2.gz APKQRNNYAWJVJV-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN COc1ccccc1N(CCCC(=O)NCc1nc(-c2cccs2)no1)S(C)(=O)=O ZINC000223839054 569924766 /nfs/dbraw/zinc/92/47/66/569924766.db2.gz ZKFIVMUVMUJDHR-UHFFFAOYSA-N 0 0 450.542 2.669 40 0 JFABRN Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1C ZINC000223845383 569924921 /nfs/dbraw/zinc/92/49/21/569924921.db2.gz SZBBVOGHNQKWFD-IRXDYDNUSA-N 0 0 452.598 2.739 40 0 JFABRN C[C@@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223855869 569925248 /nfs/dbraw/zinc/92/52/48/569925248.db2.gz HYJNTRRHCPBYBL-OAHLLOKOSA-N 0 0 456.561 2.653 40 0 JFABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000223865451 569925542 /nfs/dbraw/zinc/92/55/42/569925542.db2.gz JQZATNHFGUEFTO-SFHVURJKSA-N 0 0 478.636 2.818 40 0 JFABRN CC(C)Oc1cccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000223878915 569926004 /nfs/dbraw/zinc/92/60/04/569926004.db2.gz DOGWLEPYWIGGFU-INIZCTEOSA-N 0 0 468.597 2.521 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223979057 569929247 /nfs/dbraw/zinc/92/92/47/569929247.db2.gz QGPOCOAUXDFQPT-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223979858 569929290 /nfs/dbraw/zinc/92/92/90/569929290.db2.gz AHLXQEHABITXBR-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223983003 569929375 /nfs/dbraw/zinc/92/93/75/569929375.db2.gz PXTQZGJWLGUISG-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223982656 569929382 /nfs/dbraw/zinc/92/93/82/569929382.db2.gz NMODYLDDJOJAGU-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223982533 569929394 /nfs/dbraw/zinc/92/93/94/569929394.db2.gz ZSYVICYNCDNSGI-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCCOc1ccccc1 ZINC000223986733 569929568 /nfs/dbraw/zinc/92/95/68/569929568.db2.gz YAIJJZCZNWZHJL-UHFFFAOYSA-N 0 0 468.531 2.848 40 0 JFABRN COc1cccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c1 ZINC000223987830 569929616 /nfs/dbraw/zinc/92/96/16/569929616.db2.gz LCLHWKSIUWPYFO-UHFFFAOYSA-N 0 0 498.557 2.857 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223994588 569929747 /nfs/dbraw/zinc/92/97/47/569929747.db2.gz ZDVPZRKWTDYACK-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN Cc1ccc(C)c(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000224009051 569930301 /nfs/dbraw/zinc/93/03/01/569930301.db2.gz LHCSOZSIXWIEIW-UHFFFAOYSA-N 0 0 452.960 2.787 40 0 JFABRN COc1cccc(OCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 ZINC000224012387 569930429 /nfs/dbraw/zinc/93/04/29/569930429.db2.gz UZQUCFFPEZIXTR-AWEZNQCLSA-N 0 0 456.948 2.707 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000224024795 569931015 /nfs/dbraw/zinc/93/10/15/569931015.db2.gz UTZSLPHGSOEGSY-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000224025130 569931016 /nfs/dbraw/zinc/93/10/16/569931016.db2.gz BPKYVYFSCPOPHX-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN COc1cc(N(CC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)c(OC)cc1Cl ZINC000224033121 569931258 /nfs/dbraw/zinc/93/12/58/569931258.db2.gz RBGYLRANCWXTPI-UHFFFAOYSA-N 0 0 470.975 2.935 40 0 JFABRN Cc1nccn1-c1ccccc1CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000224033214 569931293 /nfs/dbraw/zinc/93/12/93/569931293.db2.gz SZDHHALNUWMDAD-UHFFFAOYSA-N 0 0 454.537 2.763 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000224064647 569932168 /nfs/dbraw/zinc/93/21/68/569932168.db2.gz LKSWWFRXCJCCDZ-KRWDZBQOSA-N 0 0 466.003 2.702 40 0 JFABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224068633 569932277 /nfs/dbraw/zinc/93/22/77/569932277.db2.gz GCMNIWBPSPKJLQ-JOCHJYFZSA-N 0 0 499.633 2.987 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224078420 569932566 /nfs/dbraw/zinc/93/25/66/569932566.db2.gz WFNADTLBTQKAPP-YTQUADARSA-N 0 0 457.546 2.799 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000224084549 569932766 /nfs/dbraw/zinc/93/27/66/569932766.db2.gz KPQZYGWTHUCGQK-FQEVSTJZSA-N 0 0 459.612 2.829 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224092789 569933011 /nfs/dbraw/zinc/93/30/11/569933011.db2.gz PZJJDWDDTPAPRA-SFHVURJKSA-N 0 0 463.575 2.781 40 0 JFABRN Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1C ZINC000224105918 569933357 /nfs/dbraw/zinc/93/33/57/569933357.db2.gz KZVOYWVUNGKPTC-UHFFFAOYSA-N 0 0 452.960 2.787 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224107259 569933429 /nfs/dbraw/zinc/93/34/29/569933429.db2.gz QDDXDHAVJUROCH-NRFANRHFSA-N 0 0 459.612 2.959 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000224108598 569933460 /nfs/dbraw/zinc/93/34/60/569933460.db2.gz NRBVWIBTLYPYOC-JOCHJYFZSA-N 0 0 475.611 2.795 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224109790 569933519 /nfs/dbraw/zinc/93/35/19/569933519.db2.gz ORYWGDFJJAWBBF-HXUWFJFHSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224117404 569933708 /nfs/dbraw/zinc/93/37/08/569933708.db2.gz JKSAXIGNVNXXJG-QFIPXVFZSA-N 0 0 473.595 2.599 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C ZINC000224120836 569933800 /nfs/dbraw/zinc/93/38/00/569933800.db2.gz BDDQLDCFIZZJJC-FQEVSTJZSA-N 0 0 459.612 2.951 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224128217 569934032 /nfs/dbraw/zinc/93/40/32/569934032.db2.gz COTHUZOENMJJDI-HXUWFJFHSA-N 0 0 471.579 2.555 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224129445 569934059 /nfs/dbraw/zinc/93/40/59/569934059.db2.gz YUXASYJGIOIOGH-FQEVSTJZSA-N 0 0 466.003 2.904 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000224158264 569934831 /nfs/dbraw/zinc/93/48/31/569934831.db2.gz CNIMXJGJRIVNIP-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224161776 569934931 /nfs/dbraw/zinc/93/49/31/569934931.db2.gz SLIAYTASYVDSAW-HSZRJFAPSA-N 0 0 487.622 2.907 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1 ZINC000224178648 569935477 /nfs/dbraw/zinc/93/54/77/569935477.db2.gz LPSLDFYIWCNIBN-UHFFFAOYSA-N 0 0 464.550 2.856 40 0 JFABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CN(Cc1ccccc1F)S(C)(=O)=O ZINC000224186170 569935678 /nfs/dbraw/zinc/93/56/78/569935678.db2.gz ABHVUADBDZJBHH-UHFFFAOYSA-N 0 0 466.922 2.949 40 0 JFABRN COc1cccc(N(CCCC(=O)NCc2cccc(N3CCCC3=O)c2)S(C)(=O)=O)c1 ZINC000224187643 569935720 /nfs/dbraw/zinc/93/57/20/569935720.db2.gz BTKLEPXJNBZCRQ-UHFFFAOYSA-N 0 0 459.568 2.685 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224196514 569936047 /nfs/dbraw/zinc/93/60/47/569936047.db2.gz HFUBWRJUQJNGCI-QFIPXVFZSA-N 0 0 475.611 2.713 40 0 JFABRN Cc1ccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224198918 569936156 /nfs/dbraw/zinc/93/61/56/569936156.db2.gz LHESYORIFHDYBJ-ILWGZMRPSA-N 0 0 453.583 2.826 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224207669 569936507 /nfs/dbraw/zinc/93/65/07/569936507.db2.gz XFBAAPTUHJVLIK-QFIPXVFZSA-N 0 0 474.627 2.551 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224214178 569936783 /nfs/dbraw/zinc/93/67/83/569936783.db2.gz YBSMBYDVUUMBPR-QFIPXVFZSA-N 0 0 459.612 2.867 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000224231292 569937332 /nfs/dbraw/zinc/93/73/32/569937332.db2.gz UNZOIUMYLJCRAE-UHFFFAOYSA-N 0 0 467.396 2.742 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000224245179 569937926 /nfs/dbraw/zinc/93/79/26/569937926.db2.gz UBWCOLGILCVOSH-BLVKFPJESA-N 0 0 454.932 2.762 40 0 JFABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(C)C ZINC000224246270 569937995 /nfs/dbraw/zinc/93/79/95/569937995.db2.gz YTVZGESUULBLBB-UHFFFAOYSA-N 0 0 468.597 2.949 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224251416 569938138 /nfs/dbraw/zinc/93/81/38/569938138.db2.gz ZGSUDWVFMJFKRG-JOCHJYFZSA-N 0 0 474.627 2.551 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224260346 569938386 /nfs/dbraw/zinc/93/83/86/569938386.db2.gz BFUIMMCRHXHLSY-NRFANRHFSA-N 0 0 485.606 2.863 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224261272 569938420 /nfs/dbraw/zinc/93/84/20/569938420.db2.gz PHOUSHNQJCVOGV-MRXNPFEDSA-N 0 0 491.997 2.674 40 0 JFABRN CCOc1ccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000224269219 569938667 /nfs/dbraw/zinc/93/86/67/569938667.db2.gz GMNBBYVJJYQEKP-UHFFFAOYSA-N 0 0 458.540 2.723 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224289806 569939481 /nfs/dbraw/zinc/93/94/81/569939481.db2.gz MIBHKEKYRPTANI-SFHVURJKSA-N 0 0 463.575 2.781 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224305664 569939877 /nfs/dbraw/zinc/93/98/77/569939877.db2.gz CKYAVPBJNATRAL-UIFIKXQLSA-N 0 0 457.546 2.656 40 0 JFABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224309919 569940051 /nfs/dbraw/zinc/94/00/51/569940051.db2.gz ITCJKJMFNIDCJA-QFIPXVFZSA-N 0 0 462.568 2.832 40 0 JFABRN CCc1ccc(OCCNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1 ZINC000224323898 569940592 /nfs/dbraw/zinc/94/05/92/569940592.db2.gz UUYPSYKDSSFHTK-UHFFFAOYSA-N 0 0 464.609 2.801 40 0 JFABRN COc1ccccc1N(CCCC(=O)N1CCN(c2ccccc2OC)CC1)S(C)(=O)=O ZINC000224330284 569940883 /nfs/dbraw/zinc/94/08/83/569940883.db2.gz SKKWKXYZXJMQHO-UHFFFAOYSA-N 0 0 461.584 2.599 40 0 JFABRN CC[C@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000224345566 569941348 /nfs/dbraw/zinc/94/13/48/569941348.db2.gz ZDEDPHCCNCGWRL-GFCCVEGCSA-N 0 0 496.995 2.779 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224367562 569942203 /nfs/dbraw/zinc/94/22/03/569942203.db2.gz WGVUWYLTRQZDDB-HXUWFJFHSA-N 0 0 493.601 2.934 40 0 JFABRN C[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224385937 569942837 /nfs/dbraw/zinc/94/28/37/569942837.db2.gz UUDIEPXCSABMOP-KRWDZBQOSA-N 0 0 450.532 2.963 40 0 JFABRN COc1ccc(O[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000224386835 569942893 /nfs/dbraw/zinc/94/28/93/569942893.db2.gz VZLAYRHPYTWREZ-SFHVURJKSA-N 0 0 462.568 2.832 40 0 JFABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000224395135 569943121 /nfs/dbraw/zinc/94/31/21/569943121.db2.gz BUJAREVQYROLNF-UHFFFAOYSA-N 0 0 471.579 2.797 40 0 JFABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000224402797 569943444 /nfs/dbraw/zinc/94/34/44/569943444.db2.gz WWRZMTQWEHMSJK-CYBMUJFWSA-N 0 0 488.347 2.943 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)CN(c3ccc(OC)c(OC)c3)S(C)(=O)=O)s2)cc1 ZINC000224429114 569944245 /nfs/dbraw/zinc/94/42/45/569944245.db2.gz UIWVKCOPPXDALD-UHFFFAOYSA-N 0 0 478.552 2.636 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224433897 569944412 /nfs/dbraw/zinc/94/44/12/569944412.db2.gz KFBNHESNRMRTCL-SFHVURJKSA-N 0 0 493.601 2.790 40 0 JFABRN Cc1cc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(C)c1Cl ZINC000224467222 569945380 /nfs/dbraw/zinc/94/53/80/569945380.db2.gz RTTFDTGVTZIINI-UHFFFAOYSA-N 0 0 482.986 2.552 40 0 JFABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224475302 569945568 /nfs/dbraw/zinc/94/55/68/569945568.db2.gz BGAJDWUKMDTWFS-FQEVSTJZSA-N 0 0 482.986 2.714 40 0 JFABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224475367 569945588 /nfs/dbraw/zinc/94/55/88/569945588.db2.gz XIKYWFNRJFNLDZ-OAQYLSRUSA-N 0 0 482.986 2.714 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCOC1CCCCC1 ZINC000224479874 569945787 /nfs/dbraw/zinc/94/57/87/569945787.db2.gz BTYRJSVHMPOXOI-UHFFFAOYSA-N 0 0 468.616 2.504 40 0 JFABRN CCSc1ccccc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224480894 569945854 /nfs/dbraw/zinc/94/58/54/569945854.db2.gz VXPLQYWISLMLBN-UHFFFAOYSA-N 0 0 450.582 2.628 40 0 JFABRN COc1ccccc1OCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000224490404 569946052 /nfs/dbraw/zinc/94/60/52/569946052.db2.gz FQTZNLLFCFLJAQ-OAQYLSRUSA-N 0 0 462.568 2.715 40 0 JFABRN O=C(CCc1cccc2ccccc21)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224490778 569946094 /nfs/dbraw/zinc/94/60/94/569946094.db2.gz KUFCHVNBQZUZSF-UHFFFAOYSA-N 0 0 468.575 2.989 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O ZINC000224490603 569946102 /nfs/dbraw/zinc/94/61/02/569946102.db2.gz FCFVUMIMWBZTDT-UHFFFAOYSA-N 0 0 461.584 2.865 40 0 JFABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224492630 569946188 /nfs/dbraw/zinc/94/61/88/569946188.db2.gz UZWZFGHCQVTZIB-QHCPKHFHSA-N 0 0 476.595 2.677 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224493352 569946192 /nfs/dbraw/zinc/94/61/92/569946192.db2.gz LWORKXNIUIHEFM-FQEVSTJZSA-N 0 0 459.612 2.685 40 0 JFABRN COc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000224499275 569946393 /nfs/dbraw/zinc/94/63/93/569946393.db2.gz UTXIFADGQWQNLC-FQEVSTJZSA-N 0 0 489.638 2.693 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3cccc(OC)c3)Oc3ccccc32)cc1 ZINC000224515025 569946920 /nfs/dbraw/zinc/94/69/20/569946920.db2.gz IUXCNUKHLBDDKW-DEOSSOPVSA-N 0 0 498.557 2.855 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(F)cc3)Oc3ccccc32)cc1 ZINC000224515849 569946976 /nfs/dbraw/zinc/94/69/76/569946976.db2.gz VIUDEPNZYDYQND-QHCPKHFHSA-N 0 0 486.521 2.986 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000224521787 569947060 /nfs/dbraw/zinc/94/70/60/569947060.db2.gz MKBUYQBSLGTRNC-UHFFFAOYSA-N 0 0 464.931 2.678 40 0 JFABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224539930 569947677 /nfs/dbraw/zinc/94/76/77/569947677.db2.gz NHAXEQSFXMGHSC-QHCPKHFHSA-N 0 0 488.654 2.879 40 0 JFABRN Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O ZINC000224549429 569948025 /nfs/dbraw/zinc/94/80/25/569948025.db2.gz BZMJBFBEHAWWNE-UHFFFAOYSA-N 0 0 466.003 2.563 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1cc(Cl)ccc1Cl ZINC000224553353 569948157 /nfs/dbraw/zinc/94/81/57/569948157.db2.gz VULPEJNRZKVTMM-UHFFFAOYSA-N 0 0 486.421 2.908 40 0 JFABRN Cc1cccc(N(CCCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1C ZINC000224554611 569948239 /nfs/dbraw/zinc/94/82/39/569948239.db2.gz VFQIJOPNQNGFIR-UHFFFAOYSA-N 0 0 467.613 2.884 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1Br ZINC000224558336 569948414 /nfs/dbraw/zinc/94/84/14/569948414.db2.gz PWMFVQADOMWUSX-UHFFFAOYSA-N 0 0 455.374 2.768 40 0 JFABRN Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224560619 569948438 /nfs/dbraw/zinc/94/84/38/569948438.db2.gz HKQUTUBNDHTWNG-FQEVSTJZSA-N 0 0 459.612 2.607 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224567144 569948742 /nfs/dbraw/zinc/94/87/42/569948742.db2.gz JBOCZSCJWLTMEA-JOCHJYFZSA-N 0 0 475.611 2.713 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000224571513 569949053 /nfs/dbraw/zinc/94/90/53/569949053.db2.gz HBDOFMPYTZFWJH-UHFFFAOYSA-N 0 0 466.987 2.961 40 0 JFABRN Cc1ccc(N(CCCC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224575583 569949146 /nfs/dbraw/zinc/94/91/46/569949146.db2.gz SIRVOLIDOQJIBY-UHFFFAOYSA-N 0 0 459.612 2.690 40 0 JFABRN CC[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000224579607 569949375 /nfs/dbraw/zinc/94/93/75/569949375.db2.gz BACRXCHXVMWAEB-OAQYLSRUSA-N 0 0 463.575 2.519 40 0 JFABRN CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCCOc2ccccc2OC)S1(=O)=O ZINC000224582856 569949530 /nfs/dbraw/zinc/94/95/30/569949530.db2.gz FWBJQQVQGRLLCI-UHFFFAOYSA-N 0 0 476.551 2.808 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224607830 569950471 /nfs/dbraw/zinc/95/04/71/569950471.db2.gz PDICNJUKBBBLAA-NRFANRHFSA-N 0 0 489.638 2.837 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224608737 569950573 /nfs/dbraw/zinc/95/05/73/569950573.db2.gz XMYRXZHHKNHDDU-OAQYLSRUSA-N 0 0 463.575 2.578 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224617805 569950977 /nfs/dbraw/zinc/95/09/77/569950977.db2.gz FQEBAKPPKGYNBQ-NRFANRHFSA-N 0 0 481.565 2.717 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c1 ZINC000224633946 569951673 /nfs/dbraw/zinc/95/16/73/569951673.db2.gz FNYIARWXKAKETN-HNNXBMFYSA-N 0 0 450.557 2.773 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224653462 569952317 /nfs/dbraw/zinc/95/23/17/569952317.db2.gz ZLPXLJLHWPODJW-INIZCTEOSA-N 0 0 467.538 2.674 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)cc1 ZINC000224673206 569953118 /nfs/dbraw/zinc/95/31/18/569953118.db2.gz IEWZRDPUGBVAGG-CYBMUJFWSA-N 0 0 480.493 2.884 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224686411 569953563 /nfs/dbraw/zinc/95/35/63/569953563.db2.gz VBASHCXUWYTXFQ-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCOc1ccc(N(CCCC(=O)NCCOc2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000224703003 569954173 /nfs/dbraw/zinc/95/41/73/569954173.db2.gz JNXQCCJDERXLTH-UHFFFAOYSA-N 0 0 450.557 2.835 40 0 JFABRN COc1ccc(OC)c(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)c1 ZINC000224718836 569954672 /nfs/dbraw/zinc/95/46/72/569954672.db2.gz JCJARXMFKWNFFU-UHFFFAOYSA-N 0 0 450.557 2.583 40 0 JFABRN COc1ccc(OC)c(N(CCCC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000224719629 569954680 /nfs/dbraw/zinc/95/46/80/569954680.db2.gz BPAWGTIYPDWARL-UHFFFAOYSA-N 0 0 454.520 2.584 40 0 JFABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000224721127 569954684 /nfs/dbraw/zinc/95/46/84/569954684.db2.gz XCMDPEKCEXSGHL-UHFFFAOYSA-N 0 0 464.931 2.823 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000224721229 569954699 /nfs/dbraw/zinc/95/46/99/569954699.db2.gz UWVQPTOAVQKVFK-UHFFFAOYSA-N 0 0 486.421 2.908 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224723377 569954779 /nfs/dbraw/zinc/95/47/79/569954779.db2.gz VBWBVDXFUZAWJU-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224723425 569954798 /nfs/dbraw/zinc/95/47/98/569954798.db2.gz VBWBVDXFUZAWJU-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224727321 569954996 /nfs/dbraw/zinc/95/49/96/569954996.db2.gz QBLQNIKRXXQOIL-KRWDZBQOSA-N 0 0 481.565 2.983 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224729968 569955073 /nfs/dbraw/zinc/95/50/73/569955073.db2.gz LJHBWXIIJKBEQB-LJQANCHMSA-N 0 0 492.617 2.690 40 0 JFABRN COc1ccc(CNC(=O)CCCN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OC ZINC000224731872 569955181 /nfs/dbraw/zinc/95/51/81/569955181.db2.gz QPTHYDRUVFEDQB-UHFFFAOYSA-N 0 0 466.556 2.584 40 0 JFABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1)c1ccc(OC)c(OC)c1 ZINC000224733407 569955242 /nfs/dbraw/zinc/95/52/42/569955242.db2.gz YPZHLZQXGVNDTO-MRXNPFEDSA-N 0 0 462.524 2.795 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224733770 569955295 /nfs/dbraw/zinc/95/52/95/569955295.db2.gz DICKEOQFUZSMBQ-LJQANCHMSA-N 0 0 492.617 2.690 40 0 JFABRN CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccc(CN4CCOCC4)c3)c2)CC1 ZINC000224744010 569955751 /nfs/dbraw/zinc/95/57/51/569955751.db2.gz QPHWLPBYJNZMFH-UHFFFAOYSA-N 0 0 471.623 2.869 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224753750 569956127 /nfs/dbraw/zinc/95/61/27/569956127.db2.gz DYBBKJKUIJEKMP-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000224756364 569956221 /nfs/dbraw/zinc/95/62/21/569956221.db2.gz GYTIYKQQSDIAMP-OAQYLSRUSA-N 0 0 492.041 2.889 40 0 JFABRN COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c(OC)c1OC ZINC000224758029 569956311 /nfs/dbraw/zinc/95/63/11/569956311.db2.gz DKAWDANXSKUMKB-UHFFFAOYSA-N 0 0 478.552 2.603 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224759470 569956361 /nfs/dbraw/zinc/95/63/61/569956361.db2.gz JTHKDQTUCINIOM-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224761429 569956502 /nfs/dbraw/zinc/95/65/02/569956502.db2.gz SPCIEVGAOKASTK-IBGZPJMESA-N 0 0 487.622 2.907 40 0 JFABRN COc1ccc(OCCNC(=O)CCCN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 ZINC000224764440 569956610 /nfs/dbraw/zinc/95/66/10/569956610.db2.gz YOGNPCFLGVCXEG-UHFFFAOYSA-N 0 0 450.557 2.754 40 0 JFABRN C[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)cc2)CC1 ZINC000224791656 569957811 /nfs/dbraw/zinc/95/78/11/569957811.db2.gz ZGZBXIPBOKMBRQ-UHFFFAOYSA-N 0 0 493.014 2.996 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224798646 569958059 /nfs/dbraw/zinc/95/80/59/569958059.db2.gz TVGPMUDPZXHBDU-GOSISDBHSA-N 0 0 495.045 2.896 40 0 JFABRN CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224805059 569958391 /nfs/dbraw/zinc/95/83/91/569958391.db2.gz PELMUOJKHGVZQN-UHFFFAOYSA-N 0 0 477.558 2.528 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224833773 569959637 /nfs/dbraw/zinc/95/96/37/569959637.db2.gz YMMJBXXCBMJWCH-GOSISDBHSA-N 0 0 495.045 2.896 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224859620 569960510 /nfs/dbraw/zinc/96/05/10/569960510.db2.gz LMTWKZHMUMRJOL-INIZCTEOSA-N 0 0 467.538 2.674 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224866084 569960771 /nfs/dbraw/zinc/96/07/71/569960771.db2.gz HEBBWTSVLMOALG-QGZVFWFLSA-N 0 0 491.585 2.738 40 0 JFABRN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000224869393 569961044 /nfs/dbraw/zinc/96/10/44/569961044.db2.gz NYWNVUOCCOPGKG-UHFFFAOYSA-N 0 0 455.502 2.713 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000224875000 569961260 /nfs/dbraw/zinc/96/12/60/569961260.db2.gz GWTHSNVPVXACOV-IBGZPJMESA-N 0 0 458.540 2.915 40 0 JFABRN Cc1ccccc1-c1noc(CN(C)S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)n1 ZINC000224891573 569962080 /nfs/dbraw/zinc/96/20/80/569962080.db2.gz KJJZMZPIMSFOJK-UHFFFAOYSA-N 0 0 450.546 2.702 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000224931648 569963851 /nfs/dbraw/zinc/96/38/51/569963851.db2.gz HPMYUMGMOVMLBN-OAQYLSRUSA-N 0 0 497.639 2.909 40 0 JFABRN COc1ccccc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000408594270 569965352 /nfs/dbraw/zinc/96/53/52/569965352.db2.gz PKUMMOYASAZJBC-SFHVURJKSA-N 0 0 453.564 2.864 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000408594739 569965761 /nfs/dbraw/zinc/96/57/61/569965761.db2.gz QOYBZHGKFWQQAY-INIZCTEOSA-N 0 0 476.551 2.838 40 0 JFABRN CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000408595282 569966128 /nfs/dbraw/zinc/96/61/28/569966128.db2.gz LUSZTSJLUAGAAN-SFHVURJKSA-N 0 0 473.530 2.640 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C)CC1 ZINC000408595853 569966508 /nfs/dbraw/zinc/96/65/08/569966508.db2.gz VKOIVZKUNUAGHS-UHFFFAOYSA-N 0 0 486.590 2.927 40 0 JFABRN Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NCC(C)C)cc3)CC2)c1C ZINC000408596338 569966712 /nfs/dbraw/zinc/96/67/12/569966712.db2.gz UIUDMKRUQGAFQF-UHFFFAOYSA-N 0 0 459.612 2.965 40 0 JFABRN CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000408596983 569967108 /nfs/dbraw/zinc/96/71/08/569967108.db2.gz XIFBQQSYLZVCAX-IBGZPJMESA-N 0 0 487.557 2.948 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000224985898 569967382 /nfs/dbraw/zinc/96/73/82/569967382.db2.gz XCALAXIAZDRCCB-UHFFFAOYSA-N 0 0 466.003 2.880 40 0 JFABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O ZINC000224987880 569967507 /nfs/dbraw/zinc/96/75/07/569967507.db2.gz PBMVKLKMFLSKTL-UHFFFAOYSA-N 0 0 453.948 2.590 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224987511 569967561 /nfs/dbraw/zinc/96/75/61/569967561.db2.gz IXFKVEPVOLYSDW-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224991529 569967747 /nfs/dbraw/zinc/96/77/47/569967747.db2.gz QNXPALOVEBBFOO-ZWKOTPCHSA-N 0 0 463.575 2.924 40 0 JFABRN C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224991471 569967773 /nfs/dbraw/zinc/96/77/73/569967773.db2.gz RDMLWACNJONAOW-LJQANCHMSA-N 0 0 497.617 2.740 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224994179 569967894 /nfs/dbraw/zinc/96/78/94/569967894.db2.gz FDDHRWWLZDMQTL-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000408598400 569968001 /nfs/dbraw/zinc/96/80/01/569968001.db2.gz ZVSSKAOJCREHJN-UHFFFAOYSA-N 0 0 464.540 2.750 40 0 JFABRN CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)CC1 ZINC000408601765 569969283 /nfs/dbraw/zinc/96/92/83/569969283.db2.gz HEAIFOGXBLBESP-UHFFFAOYSA-N 0 0 481.958 2.820 40 0 JFABRN CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000225023065 569969792 /nfs/dbraw/zinc/96/97/92/569969792.db2.gz ZYDAPYRSKMQTOA-SFHVURJKSA-N 0 0 458.989 2.632 40 0 JFABRN COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1OC ZINC000408603411 569969883 /nfs/dbraw/zinc/96/98/83/569969883.db2.gz JSFIQNTYLWBSGF-JOCHJYFZSA-N 0 0 468.575 2.952 40 0 JFABRN C[C@@H](Oc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)C(=O)N1CCOCC1 ZINC000408605107 569970581 /nfs/dbraw/zinc/97/05/81/569970581.db2.gz MOSVGIQVJLWBAZ-HXUWFJFHSA-N 0 0 472.607 2.956 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000408605721 569970874 /nfs/dbraw/zinc/97/08/74/569970874.db2.gz JYFXAPFDZJMADW-OSICKASQSA-N 0 0 457.596 2.707 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000225052343 569972041 /nfs/dbraw/zinc/97/20/41/569972041.db2.gz GTQCCJLPNIAIED-FQEVSTJZSA-N 0 0 489.638 2.756 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225056759 569972416 /nfs/dbraw/zinc/97/24/16/569972416.db2.gz FJSGPJKXWAHGJS-SFHVURJKSA-N 0 0 463.575 2.578 40 0 JFABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O ZINC000408613229 569973315 /nfs/dbraw/zinc/97/33/15/569973315.db2.gz VXPCOTZFRLCKAI-KRWDZBQOSA-N 0 0 479.986 2.962 40 0 JFABRN CCOc1ccc(-c2noc(CN(C)C(=O)CN(Cc3ccccc3F)S(C)(=O)=O)n2)cc1 ZINC000225073052 569973353 /nfs/dbraw/zinc/97/33/53/569973353.db2.gz YUCCQGAYZXHZSD-UHFFFAOYSA-N 0 0 476.530 2.695 40 0 JFABRN Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCn4ccnc4)CC3=O)cc2)c1 ZINC000408614663 569974034 /nfs/dbraw/zinc/97/40/34/569974034.db2.gz GAXWYQLVRPTILH-FQEVSTJZSA-N 0 0 475.549 2.768 40 0 JFABRN CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000225090422 569974250 /nfs/dbraw/zinc/97/42/50/569974250.db2.gz RXUWTKJWWIHFLB-BFUOFWGJSA-N 0 0 474.551 2.790 40 0 JFABRN CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)cc3C)cc2)C1 ZINC000408614915 569974282 /nfs/dbraw/zinc/97/42/82/569974282.db2.gz JRMITHHPVLRPLH-CQSZACIVSA-N 0 0 460.328 2.874 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000225093208 569974485 /nfs/dbraw/zinc/97/44/85/569974485.db2.gz ZUMLWLZTSIFACP-QFIPXVFZSA-N 0 0 492.617 2.772 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)c(C)c1 ZINC000408615334 569974713 /nfs/dbraw/zinc/97/47/13/569974713.db2.gz PAHWVYYJDIVXQV-DENIHFKCSA-N 0 0 465.550 2.969 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225095263 569974755 /nfs/dbraw/zinc/97/47/55/569974755.db2.gz WYFGFVOGXBASOG-JOCHJYFZSA-N 0 0 459.612 2.949 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000225096463 569974775 /nfs/dbraw/zinc/97/47/75/569974775.db2.gz AWRFTXZVEBQIJL-OAQYLSRUSA-N 0 0 492.617 2.772 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225097910 569974988 /nfs/dbraw/zinc/97/49/88/569974988.db2.gz AFLWLCCTLILFHO-FQEVSTJZSA-N 0 0 471.579 2.555 40 0 JFABRN Cc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000408615802 569974981 /nfs/dbraw/zinc/97/49/81/569974981.db2.gz SJVHZVZEZYDCNO-RXVVDRJESA-N 0 0 451.523 2.661 40 0 JFABRN Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000408615727 569975012 /nfs/dbraw/zinc/97/50/12/569975012.db2.gz RLTPPLOYMZAKAT-SIKLNZKXSA-N 0 0 465.550 2.969 40 0 JFABRN C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000408615946 569975136 /nfs/dbraw/zinc/97/51/36/569975136.db2.gz URNZGAHSGJBRLD-HUUCEWRRSA-N 0 0 479.455 2.573 40 0 JFABRN COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)C1 ZINC000408616108 569975262 /nfs/dbraw/zinc/97/52/62/569975262.db2.gz VXIVBRONDYLACT-MRXNPFEDSA-N 0 0 459.930 2.863 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2)cc1OC ZINC000408616186 569975381 /nfs/dbraw/zinc/97/53/81/569975381.db2.gz WZXNFRFAGOLCKF-UHFFFAOYSA-N 0 0 481.530 2.884 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)cc1Cl ZINC000408616394 569975498 /nfs/dbraw/zinc/97/54/98/569975498.db2.gz YNUUCXVKHGEFNA-CVEARBPZSA-N 0 0 459.930 2.516 40 0 JFABRN COc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1OC ZINC000408617280 569976186 /nfs/dbraw/zinc/97/61/86/569976186.db2.gz AJUKRBACFLOXTF-UHFFFAOYSA-N 0 0 457.346 2.867 40 0 JFABRN O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCN1CCOCC1 ZINC000408618303 569976651 /nfs/dbraw/zinc/97/66/51/569976651.db2.gz FZXKFDYLMBTOPD-UHFFFAOYSA-N 0 0 486.421 2.633 40 0 JFABRN COC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000408621418 569978260 /nfs/dbraw/zinc/97/82/60/569978260.db2.gz OBUUYMIQPKJBJH-INIZCTEOSA-N 0 0 469.401 2.834 40 0 JFABRN Cc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408621484 569978293 /nfs/dbraw/zinc/97/82/93/569978293.db2.gz LIMXQSMHPKFSMC-UHFFFAOYSA-N 0 0 451.976 2.901 40 0 JFABRN COC[C@@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000408621683 569978431 /nfs/dbraw/zinc/97/84/31/569978431.db2.gz PELKVMIYVNDWQL-OAHLLOKOSA-N 0 0 455.374 2.791 40 0 JFABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCCCN1CCOCC1 ZINC000408622552 569978859 /nfs/dbraw/zinc/97/88/59/569978859.db2.gz RARZABSRZNUXCY-UHFFFAOYSA-N 0 0 458.024 2.502 40 0 JFABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc(C(=O)OC)c1 ZINC000408623109 569979098 /nfs/dbraw/zinc/97/90/98/569979098.db2.gz OXLDSCBDODLNJG-UHFFFAOYSA-N 0 0 474.535 2.995 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000408623775 569979498 /nfs/dbraw/zinc/97/94/98/569979498.db2.gz PRUFRDZTGSFKGP-HNNXBMFYSA-N 0 0 469.966 2.893 40 0 JFABRN Cc1ccc(CN(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408624275 569979554 /nfs/dbraw/zinc/97/95/54/569979554.db2.gz VHQXBXJOFIEADZ-UHFFFAOYSA-N 0 0 480.030 2.678 40 0 JFABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCCN1CCOCC1 ZINC000408624209 569979642 /nfs/dbraw/zinc/97/96/42/569979642.db2.gz UZBNVTWHKDAOLL-UHFFFAOYSA-N 0 0 486.421 2.633 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)Cc1ccc(F)cc1 ZINC000408624419 569979707 /nfs/dbraw/zinc/97/97/07/569979707.db2.gz UKOBXINJMYGLPR-UHFFFAOYSA-N 0 0 473.492 2.955 40 0 JFABRN Cc1cccc(CN(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408625167 569980086 /nfs/dbraw/zinc/98/00/86/569980086.db2.gz XCZUNWNIKJZHSJ-UHFFFAOYSA-N 0 0 480.030 2.678 40 0 JFABRN Cn1c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(C)(=O)=O)cc2n(C)c1=O ZINC000408625555 569980159 /nfs/dbraw/zinc/98/01/59/569980159.db2.gz SWLSEKXRZGQSCH-UHFFFAOYSA-N 0 0 457.339 2.589 40 0 JFABRN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)c(C)c1 ZINC000408625600 569980325 /nfs/dbraw/zinc/98/03/25/569980325.db2.gz VQLMFXOVLLFOBS-SFHVURJKSA-N 0 0 459.568 2.617 40 0 JFABRN COc1ccc(N(CC(=O)N2CC(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000408626009 569980451 /nfs/dbraw/zinc/98/04/51/569980451.db2.gz KFDFMYVQTQWLLP-UHFFFAOYSA-N 0 0 451.504 2.876 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c2ccccc2)cc1 ZINC000408626348 569980690 /nfs/dbraw/zinc/98/06/90/569980690.db2.gz WSJZDQXGYFQAFZ-UHFFFAOYSA-N 0 0 480.546 2.720 40 0 JFABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 ZINC000408626359 569980719 /nfs/dbraw/zinc/98/07/19/569980719.db2.gz WTDVIGHKPYMXKL-PXNSSMCTSA-N 0 0 489.594 2.787 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225182246 569980777 /nfs/dbraw/zinc/98/07/77/569980777.db2.gz CZQBWLJACYEHGB-QHCPKHFHSA-N 0 0 488.654 2.941 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C(=O)N1CCOCC1 ZINC000408627224 569981008 /nfs/dbraw/zinc/98/10/08/569981008.db2.gz YMBVCEKFLMFCNE-UHFFFAOYSA-N 0 0 463.987 2.632 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225189126 569981349 /nfs/dbraw/zinc/98/13/49/569981349.db2.gz CNEVWSHDLHPKNS-JKSUJKDBSA-N 0 0 491.997 2.817 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225189203 569981359 /nfs/dbraw/zinc/98/13/59/569981359.db2.gz CNEVWSHDLHPKNS-HOTGVXAUSA-N 0 0 491.997 2.817 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225195074 569981650 /nfs/dbraw/zinc/98/16/50/569981650.db2.gz MQZJJHVDGSLAFU-KRWDZBQOSA-N 0 0 489.569 2.694 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000225194663 569981671 /nfs/dbraw/zinc/98/16/71/569981671.db2.gz GKTPSXCBQSMOIB-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000225194043 569981681 /nfs/dbraw/zinc/98/16/81/569981681.db2.gz PIIHKZPXYRDNBI-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000225224025 569983721 /nfs/dbraw/zinc/98/37/21/569983721.db2.gz FHJHNMJGINAPFM-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000225224105 569983726 /nfs/dbraw/zinc/98/37/26/569983726.db2.gz BOMLBWOKYUBJRT-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000225224925 569983820 /nfs/dbraw/zinc/98/38/20/569983820.db2.gz GTGKFVZLWVGXCA-MRXNPFEDSA-N 0 0 485.528 2.943 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225236481 569984740 /nfs/dbraw/zinc/98/47/40/569984740.db2.gz SKWQWQHGNJWHBM-DGQTTZFYSA-N 0 0 457.546 2.799 40 0 JFABRN COc1ccc(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(=O)(=O)c2ccccc2)cc1OC ZINC000225240159 569985003 /nfs/dbraw/zinc/98/50/03/569985003.db2.gz YBKWVZMQNSJNEA-LJQANCHMSA-N 0 0 498.557 2.855 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)c(Cl)c1 ZINC000408635460 569985799 /nfs/dbraw/zinc/98/57/99/569985799.db2.gz BPGFJWPUPGSNBX-UHFFFAOYSA-N 0 0 463.339 2.944 40 0 JFABRN COc1ccc(N(CCCC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1Cl ZINC000225253857 569986136 /nfs/dbraw/zinc/98/61/36/569986136.db2.gz HREMVUPKAVCKAD-MRXNPFEDSA-N 0 0 468.959 2.851 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCCCn1ccnc1)Cc1ccccc1 ZINC000408635865 569986162 /nfs/dbraw/zinc/98/61/62/569986162.db2.gz IQKKLCVXUMQOSA-UHFFFAOYSA-N 0 0 476.986 2.943 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000225255832 569986248 /nfs/dbraw/zinc/98/62/48/569986248.db2.gz PNBDFRIYCBXMSF-KRWDZBQOSA-N 0 0 460.552 2.686 40 0 JFABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 ZINC000225256434 569986250 /nfs/dbraw/zinc/98/62/50/569986250.db2.gz WEKRRTWZMLSWJH-UHFFFAOYSA-N 0 0 452.583 2.799 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000225259404 569986364 /nfs/dbraw/zinc/98/63/64/569986364.db2.gz HVHXJRVJQRIGEF-NRFANRHFSA-N 0 0 458.580 2.617 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000225264611 569986836 /nfs/dbraw/zinc/98/68/36/569986836.db2.gz CHHACMMXHWYPCU-GOSISDBHSA-N 0 0 464.971 2.838 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000225309290 569989559 /nfs/dbraw/zinc/98/95/59/569989559.db2.gz JGKNTWDFCABUGY-UHFFFAOYSA-N 0 0 470.931 2.544 40 0 JFABRN CC(C)C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)s1 ZINC000225318545 569990193 /nfs/dbraw/zinc/99/01/93/569990193.db2.gz GISZKJAPPWJAOB-UHFFFAOYSA-N 0 0 456.937 2.657 40 0 JFABRN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)ccc1Cl ZINC000225341258 569991546 /nfs/dbraw/zinc/99/15/46/569991546.db2.gz ALMDVGUBWBXKQJ-UHFFFAOYSA-N 0 0 466.899 2.980 40 0 JFABRN Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)no1 ZINC000408649980 569993420 /nfs/dbraw/zinc/99/34/20/569993420.db2.gz FLECLGSILDLOOM-TUUBTQOTSA-N 0 0 482.323 3.515 40 0 JFABRN Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)no1 ZINC000408649976 569993458 /nfs/dbraw/zinc/99/34/58/569993458.db2.gz FLECLGSILDLOOM-LMHXZZLNSA-N 0 0 482.323 3.515 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225371012 569993529 /nfs/dbraw/zinc/99/35/29/569993529.db2.gz XSAMLJWRCJQEGE-QFIPXVFZSA-N 0 0 475.611 2.795 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1 ZINC000408650470 569993737 /nfs/dbraw/zinc/99/37/37/569993737.db2.gz AWDSMNCFNVXSSZ-AWEZNQCLSA-N 0 0 464.305 2.977 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000225388703 569994449 /nfs/dbraw/zinc/99/44/49/569994449.db2.gz DZWRZJVEDJJHCY-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000225388813 569994470 /nfs/dbraw/zinc/99/44/70/569994470.db2.gz CGGUTYKIOMQNMR-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225393426 569994864 /nfs/dbraw/zinc/99/48/64/569994864.db2.gz UXMDTHYXKPQLHR-QZTJIDSGSA-N 0 0 493.601 2.932 40 0 JFABRN CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)c1 ZINC000408653083 569995288 /nfs/dbraw/zinc/99/52/88/569995288.db2.gz HUDXUCRGONHLDX-IBGZPJMESA-N 0 0 479.533 2.862 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225408681 569995333 /nfs/dbraw/zinc/99/53/33/569995333.db2.gz YFJOTBFBFKPUQY-OSZJIOELSA-N 0 0 469.582 2.668 40 0 JFABRN CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000408653590 569995532 /nfs/dbraw/zinc/99/55/32/569995532.db2.gz ITBWMBYIWNQNDI-OAHLLOKOSA-N 0 0 492.315 2.871 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 ZINC000408653746 569995759 /nfs/dbraw/zinc/99/57/59/569995759.db2.gz AMQHQHQKTKWDLA-LJQANCHMSA-N 0 0 494.500 2.824 40 0 JFABRN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)c1 ZINC000408653863 569995859 /nfs/dbraw/zinc/99/58/59/569995859.db2.gz FMNANEJYUNVLIH-FOQGZHGDSA-N 0 0 450.443 2.838 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000225423724 569996128 /nfs/dbraw/zinc/99/61/28/569996128.db2.gz HVXFQOGWFCAMAZ-HNNXBMFYSA-N 0 0 469.966 2.717 40 0 JFABRN C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(C(C)(C)C)cc2)C1)c1ccccc1 ZINC000408654538 569996195 /nfs/dbraw/zinc/99/61/95/569996195.db2.gz KARLKPKENWEVPY-XLIONFOSSA-N 0 0 465.550 2.898 40 0 JFABRN C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(C(C)(C)C)cc2)C1)c1ccccc1 ZINC000408654539 569996209 /nfs/dbraw/zinc/99/62/09/569996209.db2.gz KARLKPKENWEVPY-YLJYHZDGSA-N 0 0 465.550 2.898 40 0 JFABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000408654650 569996390 /nfs/dbraw/zinc/99/63/90/569996390.db2.gz KSLRUWXZDLZMIP-CQSZACIVSA-N 0 0 464.305 2.977 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225431880 569996468 /nfs/dbraw/zinc/99/64/68/569996468.db2.gz HHBUDXWPXXGLLN-MRXNPFEDSA-N 0 0 467.538 2.674 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225434861 569996718 /nfs/dbraw/zinc/99/67/18/569996718.db2.gz IDKBNQUUTBNTPY-JOCHJYFZSA-N 0 0 477.602 2.968 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000225436725 569996735 /nfs/dbraw/zinc/99/67/35/569996735.db2.gz KLZSRPWNMIFTCJ-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000225436637 569996752 /nfs/dbraw/zinc/99/67/52/569996752.db2.gz RLFUQZBKENYWQD-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225434778 569996757 /nfs/dbraw/zinc/99/67/57/569996757.db2.gz ZKSQVKZLKMCXHE-OAQYLSRUSA-N 0 0 477.602 2.968 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000225437636 569996842 /nfs/dbraw/zinc/99/68/42/569996842.db2.gz IKRZUFYLJIZALD-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)ccc1NS(C)(=O)=O ZINC000225440888 569996902 /nfs/dbraw/zinc/99/69/02/569996902.db2.gz IWHDDZRQVUISBN-PMACEKPBSA-N 0 0 457.581 2.977 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225447808 569997259 /nfs/dbraw/zinc/99/72/59/569997259.db2.gz YGUHQEQPTMDARZ-BLKABHOGSA-N 0 0 453.583 2.702 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225450120 569997344 /nfs/dbraw/zinc/99/73/44/569997344.db2.gz QQGXRQNTKHTYSU-PMACEKPBSA-N 0 0 499.633 2.986 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 ZINC000225462011 569997870 /nfs/dbraw/zinc/99/78/70/569997870.db2.gz AOLCDOXMBKOMSY-QGZVFWFLSA-N 0 0 492.594 2.543 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000225463796 569997949 /nfs/dbraw/zinc/99/79/49/569997949.db2.gz PKZNONINUGCRGS-HNNXBMFYSA-N 0 0 486.366 2.989 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000225463891 569997951 /nfs/dbraw/zinc/99/79/51/569997951.db2.gz GLNKXPZMXNLTIB-IBGZPJMESA-N 0 0 459.612 2.957 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)CC1=O ZINC000408657242 569998062 /nfs/dbraw/zinc/99/80/62/569998062.db2.gz ONJLVWZUMDHPNB-ZDUSSCGKSA-N 0 0 464.305 2.977 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000225478743 569998661 /nfs/dbraw/zinc/99/86/61/569998661.db2.gz UNLDPQGLDVPUSH-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000225478652 569998663 /nfs/dbraw/zinc/99/86/63/569998663.db2.gz DHGKCYVQPLOICJ-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000225483406 569998947 /nfs/dbraw/zinc/99/89/47/569998947.db2.gz FKEYJQRAPAAGNT-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN COc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000225484849 569999103 /nfs/dbraw/zinc/99/91/03/569999103.db2.gz VKHPKDQUHDMOIW-INIZCTEOSA-N 0 0 450.532 2.819 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)cc1 ZINC000408658883 569999234 /nfs/dbraw/zinc/99/92/34/569999234.db2.gz RTIUODNCLXGWJH-HXUWFJFHSA-N 0 0 495.532 2.627 40 0 JFABRN O=C(NCc1ccccc1CN1CCCC1=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000225490172 569999423 /nfs/dbraw/zinc/99/94/23/569999423.db2.gz GWPXWBMXDRHNCQ-UHFFFAOYSA-N 0 0 473.570 2.665 40 0 JFABRN CCCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)s1 ZINC000225511840 570001207 /nfs/dbraw/zinc/00/12/07/570001207.db2.gz FUJVNYFNVLUTGD-UHFFFAOYSA-N 0 0 476.049 2.882 40 0 JFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225506272 570000742 /nfs/dbraw/zinc/00/07/42/570000742.db2.gz LDLNXGGGPHAZIP-XMMPIXPASA-N 0 0 497.592 2.978 40 0 JFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225506382 570000759 /nfs/dbraw/zinc/00/07/59/570000759.db2.gz ZUPWGULGYDBOJU-DEOSSOPVSA-N 0 0 497.592 2.978 40 0 JFABRN Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c1C ZINC000408661336 570000859 /nfs/dbraw/zinc/00/08/59/570000859.db2.gz VJUDIPHLZZGVFR-MRXNPFEDSA-N 0 0 488.338 2.741 40 0 JFABRN CCOc1cc(CNC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)ccc1OC ZINC000225509783 570001101 /nfs/dbraw/zinc/00/11/01/570001101.db2.gz LQGNXUGNUPDCCV-UHFFFAOYSA-N 0 0 450.557 2.965 40 0 JFABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000225513199 570001376 /nfs/dbraw/zinc/00/13/76/570001376.db2.gz GGYITFAGQPKATP-NQIIRXRSSA-N 0 0 464.609 2.758 40 0 JFABRN CC(C)(C)c1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 ZINC000408662103 570001444 /nfs/dbraw/zinc/00/14/44/570001444.db2.gz XCUBIPDJTLODEO-INIZCTEOSA-N 0 0 455.486 2.798 40 0 JFABRN COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000408662088 570001423 /nfs/dbraw/zinc/00/14/23/570001423.db2.gz WZNSZBAOHKJHGQ-ZDUSSCGKSA-N 0 0 480.304 2.677 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)c1 ZINC000225515936 570001718 /nfs/dbraw/zinc/00/17/18/570001718.db2.gz YUVOUCHRYYZSAO-SFHVURJKSA-N 0 0 470.551 2.805 40 0 JFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225516646 570001742 /nfs/dbraw/zinc/00/17/42/570001742.db2.gz YQIQQVVXINNTEY-TZRRMPRUSA-N 0 0 473.573 2.714 40 0 JFABRN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c(OC)c1OC ZINC000225524236 570002369 /nfs/dbraw/zinc/00/23/69/570002369.db2.gz BCIGIPVKQNVLRR-SFHVURJKSA-N 0 0 462.568 2.738 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1ccc(Br)cc1Cl ZINC000408663593 570002459 /nfs/dbraw/zinc/00/24/59/570002459.db2.gz YTBAFYQCGZKGBG-ZDUSSCGKSA-N 0 0 494.729 2.778 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225527201 570002712 /nfs/dbraw/zinc/00/27/12/570002712.db2.gz XMMQNLVLXHFORG-FQEVSTJZSA-N 0 0 474.627 2.550 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225528704 570002812 /nfs/dbraw/zinc/00/28/12/570002812.db2.gz NDFTYPHAVMRXIK-IBGZPJMESA-N 0 0 492.617 2.689 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(OC)ccc3OC)CC2=O)cc1 ZINC000408664404 570003113 /nfs/dbraw/zinc/00/31/13/570003113.db2.gz ZOHQGDJHMMSJQM-QGZVFWFLSA-N 0 0 484.505 2.805 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000225533391 570003291 /nfs/dbraw/zinc/00/32/91/570003291.db2.gz BPXPJUFIETYOSV-QGZVFWFLSA-N 0 0 497.614 2.896 40 0 JFABRN CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1 ZINC000408664775 570003437 /nfs/dbraw/zinc/00/34/37/570003437.db2.gz ZYFARAAZLYQTEY-MRXNPFEDSA-N 0 0 488.338 2.687 40 0 JFABRN COc1cccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1 ZINC000225541735 570004058 /nfs/dbraw/zinc/00/40/58/570004058.db2.gz FZTSVTVMRMJQNA-MRXNPFEDSA-N 0 0 474.514 2.601 40 0 JFABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225541898 570004130 /nfs/dbraw/zinc/00/41/30/570004130.db2.gz NZAFNOXOJZSQOZ-KRWDZBQOSA-N 0 0 458.515 2.935 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)cc1 ZINC000225542513 570004134 /nfs/dbraw/zinc/00/41/34/570004134.db2.gz HAAXWKUYMJAIKL-KRWDZBQOSA-N 0 0 488.541 2.992 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225546376 570004579 /nfs/dbraw/zinc/00/45/79/570004579.db2.gz QFKJIRAFVNLTJL-SFHVURJKSA-N 0 0 495.045 2.895 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000408666275 570004605 /nfs/dbraw/zinc/00/46/05/570004605.db2.gz XYBWTBILABOJQK-UHFFFAOYSA-N 0 0 470.478 2.941 40 0 JFABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000408669219 570006392 /nfs/dbraw/zinc/00/63/92/570006392.db2.gz NJYYPFSXIDYUDD-GOSISDBHSA-N 0 0 451.523 2.968 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000225581200 570007332 /nfs/dbraw/zinc/00/73/32/570007332.db2.gz CXRYTMGXWNYHRW-UHFFFAOYSA-N 0 0 472.567 2.895 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225589240 570008091 /nfs/dbraw/zinc/00/80/91/570008091.db2.gz KGJSEIUZBVZQCJ-SFHVURJKSA-N 0 0 463.575 2.697 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000225632792 570010946 /nfs/dbraw/zinc/01/09/46/570010946.db2.gz RSVVTXHUMYMCBE-UHFFFAOYSA-N 0 0 450.557 2.554 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225654346 570012611 /nfs/dbraw/zinc/01/26/11/570012611.db2.gz LQOXSYYTNFRGQE-JXFKEZNVSA-N 0 0 489.569 2.692 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225671279 570013829 /nfs/dbraw/zinc/01/38/29/570013829.db2.gz CVNKTQSITHQNCN-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN Cn1c2ccc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2sc1=O ZINC000225673643 570013925 /nfs/dbraw/zinc/01/39/25/570013925.db2.gz CEUMLENUCZDSJC-UHFFFAOYSA-N 0 0 467.594 2.575 40 0 JFABRN COc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225677746 570014134 /nfs/dbraw/zinc/01/41/34/570014134.db2.gz DIAMRPHLGWLGSY-IBGZPJMESA-N 0 0 475.611 2.566 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225682659 570014324 /nfs/dbraw/zinc/01/43/24/570014324.db2.gz ZIRBGGIWVOXHBT-KRWDZBQOSA-N 0 0 481.565 2.920 40 0 JFABRN COc1ccc(N(CC(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)cc1OC ZINC000225682508 570014344 /nfs/dbraw/zinc/01/43/44/570014344.db2.gz DBXYNBYQMNZOAP-UHFFFAOYSA-N 0 0 460.603 2.708 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225686379 570014611 /nfs/dbraw/zinc/01/46/11/570014611.db2.gz YLWZNSTWEGXITM-IBGZPJMESA-N 0 0 492.617 2.628 40 0 JFABRN CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225686952 570014621 /nfs/dbraw/zinc/01/46/21/570014621.db2.gz UOPRBBRANVMUST-FQEVSTJZSA-N 0 0 473.639 2.999 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408693169 570015883 /nfs/dbraw/zinc/01/58/83/570015883.db2.gz FPARTOCHUYRBKY-UHFFFAOYSA-N 0 0 467.975 2.901 40 0 JFABRN COC(=O)c1c(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 ZINC000225710180 570016583 /nfs/dbraw/zinc/01/65/83/570016583.db2.gz NMYDQCGKJDVPNB-UHFFFAOYSA-N 0 0 482.580 2.690 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225714850 570016947 /nfs/dbraw/zinc/01/69/47/570016947.db2.gz ZCVGHZNMAVPOIR-QFIPXVFZSA-N 0 0 459.612 2.948 40 0 JFABRN CCCn1c2ccc(S(=O)(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)cc2sc1=O ZINC000225730716 570018486 /nfs/dbraw/zinc/01/84/86/570018486.db2.gz UDVMTCLVECQSGV-UHFFFAOYSA-N 0 0 464.521 2.847 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000408701146 570021679 /nfs/dbraw/zinc/02/16/79/570021679.db2.gz SDRREIZMOOZBJG-UHFFFAOYSA-N 0 0 487.578 2.595 40 0 JFABRN NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)CC1 ZINC000225799880 570022344 /nfs/dbraw/zinc/02/23/44/570022344.db2.gz UTMTXNKWMYASQY-UHFFFAOYSA-N 0 0 465.984 2.651 40 0 JFABRN C[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408703037 570022995 /nfs/dbraw/zinc/02/29/95/570022995.db2.gz DGKZOVGMGQNULL-HNNXBMFYSA-N 0 0 475.567 2.779 40 0 JFABRN COc1ccc(OC)c(N([C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c1 ZINC000225814226 570023077 /nfs/dbraw/zinc/02/30/77/570023077.db2.gz DJDHSGQCTJTDJY-SFHVURJKSA-N 0 0 476.595 2.723 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000408703480 570023322 /nfs/dbraw/zinc/02/33/22/570023322.db2.gz SHWNQPIDBIVDLS-UHFFFAOYSA-N 0 0 499.545 2.776 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000408703508 570023369 /nfs/dbraw/zinc/02/33/69/570023369.db2.gz SXQCQMBSCCTNKN-MRXNPFEDSA-N 0 0 475.567 2.781 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000408703892 570023617 /nfs/dbraw/zinc/02/36/17/570023617.db2.gz VFQUHWBRTPTKDM-UHFFFAOYSA-N 0 0 489.594 2.888 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000408704147 570023801 /nfs/dbraw/zinc/02/38/01/570023801.db2.gz XZGYPRNXUFZXKX-KRWDZBQOSA-N 0 0 487.578 2.641 40 0 JFABRN C[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704506 570024035 /nfs/dbraw/zinc/02/40/35/570024035.db2.gz OQORTMNFIOEMLP-INIZCTEOSA-N 0 0 479.986 2.615 40 0 JFABRN CC(C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000408704966 570024310 /nfs/dbraw/zinc/02/43/10/570024310.db2.gz WGEDQUGVCZHVFG-UHFFFAOYSA-N 0 0 461.540 2.738 40 0 JFABRN O=C(NCCSc1nc[nH]n1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000225843733 570024433 /nfs/dbraw/zinc/02/44/33/570024433.db2.gz PYJLCIZTOVWQTA-UHFFFAOYSA-N 0 0 463.972 2.732 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc2c(c1)OCO2 ZINC000408705382 570024597 /nfs/dbraw/zinc/02/45/97/570024597.db2.gz DJYJZIOCPVNJGT-UHFFFAOYSA-N 0 0 485.518 2.733 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c1 ZINC000225848681 570024720 /nfs/dbraw/zinc/02/47/20/570024720.db2.gz AIKFEGKHSAMSJB-UHFFFAOYSA-N 0 0 485.587 2.907 40 0 JFABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000408705529 570024723 /nfs/dbraw/zinc/02/47/23/570024723.db2.gz HYCBOKJFYMKDQK-UHFFFAOYSA-N 0 0 465.597 2.899 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 ZINC000225856602 570025021 /nfs/dbraw/zinc/02/50/21/570025021.db2.gz KMHJZIDNDQBZST-UHFFFAOYSA-N 0 0 462.524 2.753 40 0 JFABRN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1OC ZINC000408713735 570025589 /nfs/dbraw/zinc/02/55/89/570025589.db2.gz QYWIEVODCIBUBA-CQSZACIVSA-N 0 0 452.504 2.891 40 0 JFABRN COCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225898216 570026483 /nfs/dbraw/zinc/02/64/83/570026483.db2.gz DNIWIQWHFUEJDV-UHFFFAOYSA-N 0 0 469.659 2.972 40 0 JFABRN FC(F)(F)c1cc(N2Cc3ccccc3C2)nc(NC(=S)NCCN2CCOCC2)n1 ZINC000225905712 570027051 /nfs/dbraw/zinc/02/70/51/570027051.db2.gz ZEWJUMMSCBDPMY-UHFFFAOYSA-N 0 0 452.506 2.634 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c2ccccc2O1 ZINC000225920329 570027718 /nfs/dbraw/zinc/02/77/18/570027718.db2.gz WEWZHXIJWJHLOC-NQIIRXRSSA-N 0 0 472.563 2.671 40 0 JFABRN O=C(Oc1ccc(C=C2NC(=S)NC2=O)cc1)c1ccccc1I ZINC000408725497 570027982 /nfs/dbraw/zinc/02/79/82/570027982.db2.gz KSOYLYUWKMXUBM-ZROIWOOFSA-N 0 0 450.257 2.856 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408727147 570028249 /nfs/dbraw/zinc/02/82/49/570028249.db2.gz QEABELFCXRYZAC-YOKWNPFVSA-N 0 0 492.553 2.926 40 0 JFABRN CCN(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)S(=O)(=O)c1cc(C)ccc1C ZINC000225932187 570028288 /nfs/dbraw/zinc/02/82/88/570028288.db2.gz UWCDIKRJVPFTPH-UHFFFAOYSA-N 0 0 467.613 2.511 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3)sc2=N[C@H]1c1ccc(O)c(OC)c1 ZINC000408729596 570028699 /nfs/dbraw/zinc/02/86/99/570028699.db2.gz CQPDKIJVTBYAGS-JCAJYURWSA-N 0 0 450.516 2.621 40 0 JFABRN CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2c(C)cccc2C)S3(=O)=O)cc1 ZINC000225939429 570028878 /nfs/dbraw/zinc/02/88/78/570028878.db2.gz HBYUFWMJPHJXLT-UZUQRXQVSA-N 0 0 458.536 2.793 40 0 JFABRN CCOC(=O)COc1ccc(NC(=O)[C@]2(C)CCN(c3ccc(OC)cc3)S2(=O)=O)cc1 ZINC000225950168 570029385 /nfs/dbraw/zinc/02/93/85/570029385.db2.gz SOSYIPYWGRXFFO-QFIPXVFZSA-N 0 0 462.524 2.574 40 0 JFABRN CCOC(=O)COc1ccc(NC(=O)[C@@]2(C)CCN(c3ccc(OC)cc3)S2(=O)=O)cc1 ZINC000225950151 570029401 /nfs/dbraw/zinc/02/94/01/570029401.db2.gz SOSYIPYWGRXFFO-JOCHJYFZSA-N 0 0 462.524 2.574 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000225979502 570030677 /nfs/dbraw/zinc/03/06/77/570030677.db2.gz MOLYDSRSWAAODA-UHFFFAOYSA-N 0 0 487.603 2.909 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738011 570030945 /nfs/dbraw/zinc/03/09/45/570030945.db2.gz HVEJUDWLOJGAPY-PZHBDVNGSA-N 0 0 464.543 2.903 40 0 JFABRN CC1CCN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccc4c(c3)OCO4)n2)CC1 ZINC000226012219 570032637 /nfs/dbraw/zinc/03/26/37/570032637.db2.gz GSHKOTNXNTUOIF-UHFFFAOYSA-N 0 0 470.599 2.765 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1 ZINC000226035990 570033640 /nfs/dbraw/zinc/03/36/40/570033640.db2.gz VBKHETGWSXEKCR-INIZCTEOSA-N 0 0 473.334 2.581 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3cc(Br)ccc32)cc1OC ZINC000226036841 570033648 /nfs/dbraw/zinc/03/36/48/570033648.db2.gz YDABTRRPBUPMPD-UHFFFAOYSA-N 0 0 469.357 2.676 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCSc1n[nH]c(C)n1)c1ccccc1 ZINC000226049269 570034239 /nfs/dbraw/zinc/03/42/39/570034239.db2.gz ZUGROMRIWIYLFV-UHFFFAOYSA-N 0 0 475.596 2.534 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408753420 570034905 /nfs/dbraw/zinc/03/49/05/570034905.db2.gz POKPGPPUWMYNTC-OLROSQPISA-N 0 0 470.934 2.776 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1C ZINC000226060238 570035088 /nfs/dbraw/zinc/03/50/88/570035088.db2.gz FHNHSSCLAYSZJC-UHFFFAOYSA-N 0 0 489.623 2.708 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1C ZINC000226060428 570035134 /nfs/dbraw/zinc/03/51/34/570035134.db2.gz MVYYUVNVMHDAAG-UHFFFAOYSA-N 0 0 473.595 2.818 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc2O1 ZINC000226077764 570036265 /nfs/dbraw/zinc/03/62/65/570036265.db2.gz RXIHPFZLGOYRJC-FOIQADDNSA-N 0 0 478.954 2.708 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3F)CC2)c1 ZINC000226078169 570036362 /nfs/dbraw/zinc/03/63/62/570036362.db2.gz NNWJSVPFHYSFDB-UHFFFAOYSA-N 0 0 450.532 2.902 40 0 JFABRN COc1cc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000226081693 570036473 /nfs/dbraw/zinc/03/64/73/570036473.db2.gz DRHFLRSUXLLQJJ-KRWDZBQOSA-N 0 0 480.558 2.911 40 0 JFABRN COc1cc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000226081679 570036477 /nfs/dbraw/zinc/03/64/77/570036477.db2.gz DRHFLRSUXLLQJJ-QGZVFWFLSA-N 0 0 480.558 2.911 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)n1 ZINC000226085402 570036806 /nfs/dbraw/zinc/03/68/06/570036806.db2.gz POMAMOKUTUGSDM-UHFFFAOYSA-N 0 0 482.562 2.937 40 0 JFABRN COc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5[C@@H]6C=C[C@@H](C6)[C@@H]5C4=O)c3)CC2=O)cc1 ZINC000226402285 570037746 /nfs/dbraw/zinc/03/77/46/570037746.db2.gz JKPKOMYUURAMBY-PHJRYONYSA-N 0 0 472.497 2.965 40 0 JFABRN COC(=O)C1=C(NCCc2ccc(OC)c(OC)c2)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccccc1 ZINC000226433344 570038027 /nfs/dbraw/zinc/03/80/27/570038027.db2.gz CHCBNBXOVYBRHA-SHQBLQIYSA-N 0 0 483.561 2.991 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408785119 570042748 /nfs/dbraw/zinc/04/27/48/570042748.db2.gz XWRVLCIBNDZSIP-WLJFKGHSSA-N 0 0 480.517 2.863 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)occ(-c2nc(C)cs2)c3=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238901355 570047669 /nfs/dbraw/zinc/04/76/69/570047669.db2.gz LODGFUDXZVUDFR-HMHPNECNSA-N 0 0 589.575 2.687 40 0 JFABRN CCc1c(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O ZINC000238937393 570048136 /nfs/dbraw/zinc/04/81/36/570048136.db2.gz VBEJBERDNOPXME-UADDYFSRSA-N 0 0 630.599 2.571 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408823534 570052224 /nfs/dbraw/zinc/05/22/24/570052224.db2.gz FWCGQLJVKHKRNN-QFXGEWDLSA-N 0 0 493.585 2.536 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408834083 570052936 /nfs/dbraw/zinc/05/29/36/570052936.db2.gz VAWGVXNXTUQARA-DILWRCETSA-N 0 0 451.548 2.766 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408834089 570052971 /nfs/dbraw/zinc/05/29/71/570052971.db2.gz VAWGVXNXTUQARA-DOIQENQNSA-N 0 0 451.548 2.766 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H]1N(C2CCCC2)C(=O)[C@H]2[C@H](C(=O)NCc3cccs3)[C@H]3C=C[C@@]12O3 ZINC000245227473 570055225 /nfs/dbraw/zinc/05/52/25/570055225.db2.gz OFTGLLBKGULVDB-FJFBRFEOSA-N 0 0 471.623 2.762 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408905497 570070583 /nfs/dbraw/zinc/07/05/83/570070583.db2.gz AVCSKKRNQNWDRT-CURYZJDOSA-N 0 0 479.558 2.601 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1cccc(Br)c1 ZINC000408925049 570078337 /nfs/dbraw/zinc/07/83/37/570078337.db2.gz SJRPVLIMOBSEQS-UHFFFAOYSA-N 0 0 470.364 2.703 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(F)cc4)c(=O)n32)cc1OCC ZINC000408932665 570080532 /nfs/dbraw/zinc/08/05/32/570080532.db2.gz DIIRWCHRPVRNPK-BYUJNSPJSA-N 0 0 482.533 2.955 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccs4)c(=O)n32)cc1OCC ZINC000408933094 570080641 /nfs/dbraw/zinc/08/06/41/570080641.db2.gz HKCNZIDHZMHHNK-NURJGKTBSA-N 0 0 470.572 2.877 40 0 JFABRN O=C(CN1C(=O)N/C(=C\c2ccc(O)c(I)c2)C1=O)Nc1ccccc1 ZINC000408962606 570086480 /nfs/dbraw/zinc/08/64/80/570086480.db2.gz IHOKWVBZZRCDGR-ZROIWOOFSA-N 0 0 463.231 2.528 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1OC ZINC000408972308 570089037 /nfs/dbraw/zinc/08/90/37/570089037.db2.gz RAIACVDSDKJMEC-UHFFFAOYSA-N 0 0 491.585 2.592 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408980933 570090823 /nfs/dbraw/zinc/09/08/23/570090823.db2.gz GQYWJVXTBQGUMN-JUTHHCEFSA-N 0 0 492.553 2.844 40 0 JFABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000408987645 570092932 /nfs/dbraw/zinc/09/29/32/570092932.db2.gz GEIHPPYNFDBIEQ-GOSISDBHSA-N 0 0 486.375 2.953 40 0 JFABRN CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C2CCC2)CC3=O)CC1 ZINC000253398365 570096211 /nfs/dbraw/zinc/09/62/11/570096211.db2.gz HCUDAUURGAJLBF-PXPXVXOKSA-N 0 0 480.653 2.619 40 0 JFABRN COc1cccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CCC[C@@H](CNC(=O)[C@@H]3C2)O4)c1 ZINC000253399744 570096362 /nfs/dbraw/zinc/09/63/62/570096362.db2.gz JVYQUKJGWACOCG-RSEQLOHWSA-N 0 0 493.604 2.858 40 0 JFABRN CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500319 570101368 /nfs/dbraw/zinc/10/13/68/570101368.db2.gz BMSVTIBRIMWQGY-SVFBPWRDSA-N 0 0 496.568 2.967 40 0 JFABRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(I)o3)C2=O)cc1 ZINC000409017107 570101643 /nfs/dbraw/zinc/10/16/43/570101643.db2.gz JXMQHQXMMWNFCL-MDWZMJQESA-N 0 0 451.220 2.724 40 0 JFABRN Cc1ccc2[nH]c(=O)c(CN(CCCO)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500404 570101699 /nfs/dbraw/zinc/10/16/99/570101699.db2.gz KJZBLCAHNHMBSH-IFMALSPDSA-N 0 0 454.575 2.996 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(N)=O)S(=O)(=O)c1ccccc1 ZINC000409029204 570105545 /nfs/dbraw/zinc/10/55/45/570105545.db2.gz ZLKAVAADAKITKO-UHFFFAOYSA-N 0 0 453.520 2.937 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccncc4)c(=O)n32)cc1 ZINC000409031269 570105798 /nfs/dbraw/zinc/10/57/98/570105798.db2.gz AFQZFKUVIBFCEV-FGGAIWKESA-N 0 0 463.559 2.981 40 0 JFABRN O=C(COc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1)Nc1ccc(F)cc1 ZINC000256055796 570107043 /nfs/dbraw/zinc/10/70/43/570107043.db2.gz ULDRFTSBDJYNIX-MOSHPQCFSA-N 0 0 473.489 2.917 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc4c(c3)OCCO4)sc2=N1 ZINC000409038952 570107132 /nfs/dbraw/zinc/10/71/32/570107132.db2.gz PXZXCGFEQLRILF-VOSMRYOYSA-N 0 0 462.527 2.570 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(OC(C)=O)cc3)sc2=N1 ZINC000409042247 570107782 /nfs/dbraw/zinc/10/77/82/570107782.db2.gz WYQQFCDHPUTZSU-FGGAIWKESA-N 0 0 462.527 2.724 40 0 JFABRN CC(=O)NCCCCCC(=O)N1CCO[C@@]2(CO[C@@H]3c4cccc(O)c4OC(C)(C)[C@H]3C2)C1 ZINC000257202325 570108458 /nfs/dbraw/zinc/10/84/58/570108458.db2.gz ALHLDWGOXPFHJY-UWUFEASWSA-N 0 0 460.571 2.935 40 0 JFABRN Cc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)CCn3c(C)cc(O)cc3=O)n2)nc1 ZINC000257202706 570108603 /nfs/dbraw/zinc/10/86/03/570108603.db2.gz AMYJAOCHYKBAQA-OAQYLSRUSA-N 0 0 461.522 2.967 40 0 JFABRN CNc1cc([C@@]2(C)CCCN(C(=O)c3cccc(OCCN4CCOCC4)c3)C2)nc(C)n1 ZINC000257203061 570108891 /nfs/dbraw/zinc/10/88/91/570108891.db2.gz AONAARNRHQPARU-VWLOTQADSA-N 0 0 453.587 2.732 40 0 JFABRN Cc1nc(C)c(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)s1 ZINC000257206894 570110026 /nfs/dbraw/zinc/11/00/26/570110026.db2.gz BFJBWZPZYGGFJU-RXVVDRJESA-N 0 0 474.602 2.973 40 0 JFABRN CCn1nc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cc1C ZINC000257208069 570110284 /nfs/dbraw/zinc/11/02/84/570110284.db2.gz BKPFYKSAALVEAX-CVDCTZTESA-N 0 0 488.032 2.939 40 0 JFABRN C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)c(F)c2)C[C@H]1NC(=O)CCCC(=O)[O-] ZINC000257210880 570111198 /nfs/dbraw/zinc/11/11/98/570111198.db2.gz BWNBLQGENNUCDA-CHOVIJNXSA-N 0 0 462.493 2.717 40 0 JFABRN CN1CCN(C(=O)C[C@H]2CN(C(=O)CCCc3cn[nH]c3)CC[C@@H]2Oc2cccc(Cl)c2)CC1 ZINC000257212474 570111694 /nfs/dbraw/zinc/11/16/94/570111694.db2.gz CDOTVFYLCLWPQR-REWPJTCUSA-N 0 0 488.032 2.846 40 0 JFABRN Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1C ZINC000409059807 570113545 /nfs/dbraw/zinc/11/35/45/570113545.db2.gz XNTIMXLVYDMZBT-UHFFFAOYSA-N 0 0 457.531 2.997 40 0 JFABRN O=C(c1cccc(OCCN2CCOCC2)c1)N1CC[C@]2(CN(Cc3ccccc3)C(=O)O2)C1 ZINC000257219153 570113930 /nfs/dbraw/zinc/11/39/30/570113930.db2.gz DFUXIJBQSOHQQV-AREMUKBSSA-N 0 0 465.550 2.635 40 0 JFABRN CC(C)(C)c1ccc2c(c1)N(CC(=O)N1CCCC[C@H]1c1ccnc3c(C(N)=O)cnn31)C(=O)CO2 ZINC000257221139 570114449 /nfs/dbraw/zinc/11/44/49/570114449.db2.gz DNQQBTSSHUIMEI-SFHVURJKSA-N 0 0 490.564 2.605 40 0 JFABRN O=C(C[C@]1(COc2ccc(Cl)cc2)CN(Cc2nccs2)CCO1)N1CCOCC1 ZINC000257221733 570114548 /nfs/dbraw/zinc/11/45/48/570114548.db2.gz DQGZKHZWRYKURR-OAQYLSRUSA-N 0 0 451.976 2.695 40 0 JFABRN O=C(C[C@@]1(COc2ccc(Cl)cc2)CN(Cc2nccs2)CCO1)N1CCOCC1 ZINC000257221732 570114577 /nfs/dbraw/zinc/11/45/77/570114577.db2.gz DQGZKHZWRYKURR-NRFANRHFSA-N 0 0 451.976 2.695 40 0 JFABRN CCn1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCOCC3)C2)cn1 ZINC000257222577 570114840 /nfs/dbraw/zinc/11/48/40/570114840.db2.gz DTVLPAWLKYAPDV-UWJYYQICSA-N 0 0 460.962 2.715 40 0 JFABRN O=C(CN1C(=O)COCC1=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257223593 570115079 /nfs/dbraw/zinc/11/50/79/570115079.db2.gz DYASRPIAXWVNOI-INIZCTEOSA-N 0 0 450.417 2.535 40 0 JFABRN Cc1ccccc1CN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409062765 570115186 /nfs/dbraw/zinc/11/51/86/570115186.db2.gz ANHOQMPDSRNQTM-UHFFFAOYSA-N 0 0 463.987 2.563 40 0 JFABRN CN(C)C(=O)Cn1cc(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)ccc1=O ZINC000257224843 570115629 /nfs/dbraw/zinc/11/56/29/570115629.db2.gz FDQQFOZHNBQXJS-HXUWFJFHSA-N 0 0 494.983 2.997 40 0 JFABRN CCc1nc(C)c(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)[nH]1 ZINC000257231065 570117345 /nfs/dbraw/zinc/11/73/45/570117345.db2.gz GFBBECZIGDZULG-XMMPIXPASA-N 0 0 477.005 2.833 40 0 JFABRN CN1C(=O)N(CC(=O)N2CCCC[C@H]2CCNC(=O)c2ccccc2)C(=O)C12CCCCC2 ZINC000257231233 570117353 /nfs/dbraw/zinc/11/73/53/570117353.db2.gz GFWUTDFKSPSSMQ-FQEVSTJZSA-N 0 0 454.571 2.785 40 0 JFABRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N([C@@H](C)C(=O)OC)C1=O ZINC000409076044 570120004 /nfs/dbraw/zinc/12/00/04/570120004.db2.gz WXQHKDWHYUZOLC-CEITULEQSA-N 0 0 472.313 2.989 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@H]3CCN(C(=O)CC(C)(C)C)C3)n2)n[nH]1 ZINC000257242660 570120900 /nfs/dbraw/zinc/12/09/00/570120900.db2.gz IDOQEPQKZZGFQZ-GOSISDBHSA-N 0 0 454.623 2.831 40 0 JFABRN CC(=O)N[C@]12CN(CC(=O)Nc3ccc4[nH]c(C)nc4c3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257248205 570122613 /nfs/dbraw/zinc/12/26/13/570122613.db2.gz JCPWXJZPXKCZIB-GDKKVTFASA-N 0 0 488.592 2.610 40 0 JFABRN CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000257254973 570124630 /nfs/dbraw/zinc/12/46/30/570124630.db2.gz KFONEVKUKUGYKH-AREMUKBSSA-N 0 0 456.550 2.978 40 0 JFABRN C[C@]1(O)COC2(CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)C[C@@H]1NS(C)(=O)=O ZINC000257255756 570124974 /nfs/dbraw/zinc/12/49/74/570124974.db2.gz KISFRSFQJIQONQ-FPOVZHCZSA-N 0 0 482.986 2.664 40 0 JFABRN CC1CC[NH+](CC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCOCC3)C2)CC1 ZINC000257256801 570125202 /nfs/dbraw/zinc/12/52/02/570125202.db2.gz KMZPEXOWZALIIV-REWPJTCUSA-N 0 0 478.033 2.917 40 0 JFABRN COCCC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257257264 570125412 /nfs/dbraw/zinc/12/54/12/570125412.db2.gz KOVCNBTXQPYVMD-HSZRJFAPSA-N 0 0 451.995 2.528 40 0 JFABRN CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCCN1C(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000257261263 570126676 /nfs/dbraw/zinc/12/66/76/570126676.db2.gz LGLVUNDYYWCVDD-KRWDZBQOSA-N 0 0 496.955 2.564 40 0 JFABRN CC(C)C[C@]1(O)CCN(C(=O)Cn2cnc3ccccc3c2=O)C[C@@H]1Oc1ccc(F)cc1 ZINC000257265862 570128216 /nfs/dbraw/zinc/12/82/16/570128216.db2.gz MARFUJJIFNOBFJ-WIOPSUGQSA-N 0 0 453.514 2.993 40 0 JFABRN CN(C[C@@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)COc1ccc(C[NH+]2CCCC2)cc1 ZINC000257267006 570128472 /nfs/dbraw/zinc/12/84/72/570128472.db2.gz MFNOPENBYFZNGU-MHZLTWQESA-N 0 0 475.593 2.704 40 0 JFABRN Cc1nc(C)c(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)s1 ZINC000257267059 570128662 /nfs/dbraw/zinc/12/86/62/570128662.db2.gz MFUHHNIOBKEHLA-FPOVZHCZSA-N 0 0 456.612 2.834 40 0 JFABRN CNC(=O)[C@H]1CN(C(=O)c2cccnc2Nc2ccc(OC)cc2)CCN1Cc1ccccc1 ZINC000257270693 570129836 /nfs/dbraw/zinc/12/98/36/570129836.db2.gz MVGVQQCREQRIEG-HSZRJFAPSA-N 0 0 459.550 2.906 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409105696 570130041 /nfs/dbraw/zinc/13/00/41/570130041.db2.gz NYHQORCWUCBKGE-YJADQXIJSA-N 0 0 492.601 2.516 40 0 JFABRN CN1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3ccccc3F)C2)CC1 ZINC000257273365 570130616 /nfs/dbraw/zinc/13/06/16/570130616.db2.gz NGFXTWGSVNSSNL-VWLOTQADSA-N 0 0 489.613 2.840 40 0 JFABRN Cc1ncsc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257273708 570130777 /nfs/dbraw/zinc/13/07/77/570130777.db2.gz NHVBPEWIUXVLMG-PXNSSMCTSA-N 0 0 460.575 2.664 40 0 JFABRN CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257285723 570134308 /nfs/dbraw/zinc/13/43/08/570134308.db2.gz PIMLETYNQNCYQW-FQEVSTJZSA-N 0 0 474.561 2.968 40 0 JFABRN CN(c1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1)S(C)(=O)=O ZINC000409118562 570134941 /nfs/dbraw/zinc/13/49/41/570134941.db2.gz OFUMXIVHSNNJSE-UHFFFAOYSA-N 0 0 473.576 2.916 40 0 JFABRN CNc1nc([C@@H]2CCCCN2C(=O)CCn2ncc3ccccc32)nc2c1CCN(C(C)=O)C2 ZINC000257289381 570135478 /nfs/dbraw/zinc/13/54/78/570135478.db2.gz PYIXMLYLZAOZOC-QFIPXVFZSA-N 0 0 461.570 2.917 40 0 JFABRN Cc1cc(Nc2cc([C@H]3CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CCO3)nc(C)n2)n[nH]1 ZINC000257292294 570136234 /nfs/dbraw/zinc/13/62/34/570136234.db2.gz QKVRUHRVSGDMOD-MRXNPFEDSA-N 0 0 459.551 2.763 40 0 JFABRN Cc1nc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCN(c3ccccc3)CC2)co1 ZINC000257297789 570137794 /nfs/dbraw/zinc/13/77/94/570137794.db2.gz RIUMRHBLFZIJQP-VGCGRUFVSA-N 0 0 480.540 2.624 40 0 JFABRN COc1ccccc1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257299668 570138362 /nfs/dbraw/zinc/13/83/62/570138362.db2.gz RRAFTHJNQCSTOF-DHLKQENFSA-N 0 0 465.594 2.698 40 0 JFABRN CN1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)C3CCOCC3)CC2)CC1 ZINC000257302247 570138996 /nfs/dbraw/zinc/13/89/96/570138996.db2.gz SCCMIIVMNJXQEC-UHFFFAOYSA-N 0 0 478.033 2.918 40 0 JFABRN Cc1cc(C)n(CC(=O)N(C)[C@H]2CC[C@@]3(CCO)C[C@H](c4ccccc4)C[C@](C)(O3)[C@@H]2O)n1 ZINC000257304936 570139845 /nfs/dbraw/zinc/13/98/45/570139845.db2.gz SNTKBLLZYDOCNB-BWSVBHRGSA-N 0 0 455.599 2.956 40 0 JFABRN Cc1cc(NC(=O)CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)nn1C ZINC000257308444 570140902 /nfs/dbraw/zinc/14/09/02/570140902.db2.gz TWSDXSSUOZTGOL-FQEVSTJZSA-N 0 0 476.585 2.516 40 0 JFABRN CCOc1ccccc1N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000409134379 570141521 /nfs/dbraw/zinc/14/15/21/570141521.db2.gz OKGSBQCJTDGJSF-UHFFFAOYSA-N 0 0 451.976 2.854 40 0 JFABRN O=C(CCN1CCCC1=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257311693 570142012 /nfs/dbraw/zinc/14/20/12/570142012.db2.gz UKQIJYLOJSDQQC-UGKGYDQZSA-N 0 0 459.562 2.837 40 0 JFABRN CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc2ccc(N3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000257313277 570142399 /nfs/dbraw/zinc/14/23/99/570142399.db2.gz URQFWGQFFUWGTA-GNKBHMEESA-N 0 0 477.609 2.634 40 0 JFABRN CN1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)C3CCOCC3)C2)CC1 ZINC000257314321 570142803 /nfs/dbraw/zinc/14/28/03/570142803.db2.gz UWKHZNLDRQZZPN-RUZDIDTESA-N 0 0 478.033 2.918 40 0 JFABRN CN1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)C3CCOCC3)C2)CC1 ZINC000257314322 570142827 /nfs/dbraw/zinc/14/28/27/570142827.db2.gz UWKHZNLDRQZZPN-VWLOTQADSA-N 0 0 478.033 2.918 40 0 JFABRN COC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)cc1 ZINC000409139513 570143897 /nfs/dbraw/zinc/14/38/97/570143897.db2.gz OANWKNSEQJHOFZ-CQSZACIVSA-N 0 0 453.524 2.824 40 0 JFABRN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1)c1ccccc1 ZINC000409143515 570145720 /nfs/dbraw/zinc/14/57/20/570145720.db2.gz HAGTVFYBRSVYFL-INIZCTEOSA-N 0 0 453.520 2.843 40 0 JFABRN O=C(C[C@H]1CN(C(=O)CC2(O)CCCCC2)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1 ZINC000257326335 570146425 /nfs/dbraw/zinc/14/64/25/570146425.db2.gz WWVPAVNBBCOABN-UGKGYDQZSA-N 0 0 462.562 2.756 40 0 JFABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(Br)cc1OC ZINC000409146160 570147003 /nfs/dbraw/zinc/14/70/03/570147003.db2.gz RTNKHNBYGICKQJ-CXUHLZMHSA-N 0 0 485.356 2.752 40 0 JFABRN CNC(=O)[C@H]1CN(C(=O)c2cccnc2Nc2cccc(OC)c2)CCN1Cc1ccccc1 ZINC000257330300 570147718 /nfs/dbraw/zinc/14/77/18/570147718.db2.gz XNTWULBWZQHBHI-HSZRJFAPSA-N 0 0 459.550 2.906 40 0 JFABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000409148234 570147986 /nfs/dbraw/zinc/14/79/86/570147986.db2.gz YPQVBWIRRLCFEE-HNNXBMFYSA-N 0 0 463.556 2.637 40 0 JFABRN COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000409148852 570148278 /nfs/dbraw/zinc/14/82/78/570148278.db2.gz SUGOZDBWQHKLCK-UHFFFAOYSA-N 0 0 468.575 2.954 40 0 JFABRN CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCCN(C(=O)CCNS(C)(=O)=O)[C@@H]3C[C@H]21 ZINC000257335908 570149335 /nfs/dbraw/zinc/14/93/35/570149335.db2.gz YMKBLDJLPSWUHA-CIWUYKSXSA-N 0 0 456.992 2.888 40 0 JFABRN Cn1ccc(C(=O)Nc2ccccc2C(=O)N2CC[C@]3(CN(CCc4ccccc4)C(=O)O3)C2)n1 ZINC000257337698 570149719 /nfs/dbraw/zinc/14/97/19/570149719.db2.gz YUACVSRWKGPLDJ-AREMUKBSSA-N 0 0 473.533 2.952 40 0 JFABRN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2C)c1 ZINC000409153786 570149925 /nfs/dbraw/zinc/14/99/25/570149925.db2.gz FMMBUMZEVATUMJ-UHFFFAOYSA-N 0 0 498.634 2.824 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)n[nH]1 ZINC000257339368 570150283 /nfs/dbraw/zinc/15/02/83/570150283.db2.gz ZBJRUVOBYUBROU-KRWDZBQOSA-N 0 0 456.595 2.803 40 0 JFABRN O=C(c1ccc(-n2cccn2)nc1)N1CCOC[C@@]2(CN(c3cccc(Cl)c3)C(=O)O2)C1 ZINC000257342736 570151098 /nfs/dbraw/zinc/15/10/98/570151098.db2.gz ZPYFQNCUPVBXNA-QFIPXVFZSA-N 0 0 453.886 2.789 40 0 JFABRN O=C(c1ccc(-n2cccn2)nc1)N1CCOC[C@]2(CN(c3cccc(Cl)c3)C(=O)O2)C1 ZINC000257342735 570151147 /nfs/dbraw/zinc/15/11/47/570151147.db2.gz ZPYFQNCUPVBXNA-JOCHJYFZSA-N 0 0 453.886 2.789 40 0 JFABRN CCn1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)c(C)n1 ZINC000257343904 570151526 /nfs/dbraw/zinc/15/15/26/570151526.db2.gz ZUVKCNDQNQCLIV-CVDCTZTESA-N 0 0 488.032 2.939 40 0 JFABRN Cc1nn(C)cc1C(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257344334 570151649 /nfs/dbraw/zinc/15/16/49/570151649.db2.gz ZWSYKXXWPPFLSG-VWLOTQADSA-N 0 0 488.032 2.847 40 0 JFABRN CC(=O)[C@]1(O)CC[C@@]2(O)[C@@]1(C)[C@@H](OC(=O)/C=C(\C)C(C)C)C[C@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@@]12O ZINC000257578866 570154014 /nfs/dbraw/zinc/15/40/14/570154014.db2.gz VWLXIXALPNYWFH-MGCXQNHVSA-N 0 0 490.637 2.984 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260716923 570155007 /nfs/dbraw/zinc/15/50/07/570155007.db2.gz FCCITMIHZLVIOL-LJQANCHMSA-N 0 0 492.617 2.689 40 0 JFABRN COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)NCCC(C)C)c2ccccc2)cc1 ZINC000260719792 570155043 /nfs/dbraw/zinc/15/50/43/570155043.db2.gz MUKWUDZVUWBQPI-DEOSSOPVSA-N 0 0 489.638 2.819 40 0 JFABRN Cc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260723756 570155266 /nfs/dbraw/zinc/15/52/66/570155266.db2.gz HKYLLKFQQXAUBY-HXUWFJFHSA-N 0 0 459.612 2.745 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C ZINC000260737436 570155802 /nfs/dbraw/zinc/15/58/02/570155802.db2.gz MGTYUMBRDMUDFK-LJQANCHMSA-N 0 0 492.617 2.689 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1cccc(F)c1)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C ZINC000260757639 570156668 /nfs/dbraw/zinc/15/66/68/570156668.db2.gz RNPDWPBACASIJQ-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260762536 570157139 /nfs/dbraw/zinc/15/71/39/570157139.db2.gz QIHMHWOEYOGIHI-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000260769824 570157570 /nfs/dbraw/zinc/15/75/70/570157570.db2.gz HWZJAIIYQNSZMS-QGZVFWFLSA-N 0 0 493.601 2.932 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000260785117 570157945 /nfs/dbraw/zinc/15/79/45/570157945.db2.gz LIWIBMBRAFUWCF-LJQANCHMSA-N 0 0 487.622 2.937 40 0 JFABRN CN([C@H](C(=O)NCc1nc(-c2cccc(Br)c2)no1)c1ccccc1)S(C)(=O)=O ZINC000260805346 570158754 /nfs/dbraw/zinc/15/87/54/570158754.db2.gz AZFQASDETPFIET-KRWDZBQOSA-N 0 0 479.356 2.748 40 0 JFABRN CS(=O)(=O)N1C[C@H](C(=O)NCC2(c3ccccc3)CCOCC2)Oc2ccc(Cl)cc21 ZINC000260811062 570158981 /nfs/dbraw/zinc/15/89/81/570158981.db2.gz MVPHCTNIQPDDQE-HXUWFJFHSA-N 0 0 464.971 2.732 40 0 JFABRN COc1cc(N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(OC)cc1Cl ZINC000260826431 570159326 /nfs/dbraw/zinc/15/93/26/570159326.db2.gz AGWPSUZGWMQQAI-CYBMUJFWSA-N 0 0 484.958 2.772 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21)C1CCCCC1 ZINC000260833606 570159608 /nfs/dbraw/zinc/15/96/08/570159608.db2.gz ZWKYWYQLOFZHIL-HSZRJFAPSA-N 0 0 485.606 2.691 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC ZINC000260840529 570160064 /nfs/dbraw/zinc/16/00/64/570160064.db2.gz WCVSBMMUPNYQAX-LSDHHAIUSA-N 0 0 464.540 2.507 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(OC)c(OC)c3)Oc3ccccc32)cc1 ZINC000260841570 570160070 /nfs/dbraw/zinc/16/00/70/570160070.db2.gz AIPFXVMRVVTIJQ-XMMPIXPASA-N 0 0 498.557 2.985 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260853956 570160895 /nfs/dbraw/zinc/16/08/95/570160895.db2.gz COVUBNMIACENRQ-JOCHJYFZSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000260873338 570161361 /nfs/dbraw/zinc/16/13/61/570161361.db2.gz FQSWISVFCMAABW-UXHICEINSA-N 0 0 474.627 2.631 40 0 JFABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC[C@H]1COc2ccccc2O1 ZINC000260888386 570161755 /nfs/dbraw/zinc/16/17/55/570161755.db2.gz AOWPCRSNRKADKX-IBGZPJMESA-N 0 0 456.495 2.977 40 0 JFABRN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCCSc1ccccn1 ZINC000409190276 570161788 /nfs/dbraw/zinc/16/17/88/570161788.db2.gz RFXYOLWPRKMSJZ-UHFFFAOYSA-N 0 0 485.587 2.957 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC[C@H]3COc4ccccc4O3)Oc3ccccc32)cc1 ZINC000260893016 570162176 /nfs/dbraw/zinc/16/21/76/570162176.db2.gz FZSRWSHUSAOEAF-UUOWRZLLSA-N 0 0 496.541 2.608 40 0 JFABRN COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409192637 570162551 /nfs/dbraw/zinc/16/25/51/570162551.db2.gz DBWKFYIVFOINRC-OQLLNIDSSA-N 0 0 460.284 2.998 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000260902335 570162804 /nfs/dbraw/zinc/16/28/04/570162804.db2.gz OSJYAOYEWFOPKK-ROUUACIJSA-N 0 0 489.594 2.513 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000260902217 570162807 /nfs/dbraw/zinc/16/28/07/570162807.db2.gz OODZGRRMAZBWIV-ROUUACIJSA-N 0 0 463.575 2.924 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccc(CN4CCOCC4)c3)C2)cc1 ZINC000260902872 570162927 /nfs/dbraw/zinc/16/29/27/570162927.db2.gz XSMCHKRRZHDGDI-QHCPKHFHSA-N 0 0 471.623 2.544 40 0 JFABRN Cc1ccc2c(c1)O[C@H](C(=O)NC[C@H]1COc3ccccc3O1)CN2S(=O)(=O)c1ccccc1 ZINC000260907933 570163173 /nfs/dbraw/zinc/16/31/73/570163173.db2.gz UJQMMHOXHSZGJB-UUOWRZLLSA-N 0 0 480.542 2.908 40 0 JFABRN Cc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000260912208 570163433 /nfs/dbraw/zinc/16/34/33/570163433.db2.gz AODXAEJHYIRVQC-QGZVFWFLSA-N 0 0 452.598 2.822 40 0 JFABRN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000260939074 570165429 /nfs/dbraw/zinc/16/54/29/570165429.db2.gz QDNVCILTQHUNII-UGKGYDQZSA-N 0 0 492.663 2.942 40 0 JFABRN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000260939070 570165472 /nfs/dbraw/zinc/16/54/72/570165472.db2.gz QDNVCILTQHUNII-KNQAVFIVSA-N 0 0 492.663 2.942 40 0 JFABRN Cc1cc(C)cc(N([C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000260949487 570166056 /nfs/dbraw/zinc/16/60/56/570166056.db2.gz XHNTZRQUPMGMNB-IAGOWNOFSA-N 0 0 452.598 2.739 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000260955308 570166317 /nfs/dbraw/zinc/16/63/17/570166317.db2.gz KJVISEWJHAMUOJ-SFTDATJTSA-N 0 0 488.654 2.940 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000260974706 570166349 /nfs/dbraw/zinc/16/63/49/570166349.db2.gz NDWBGYCCWSYVLC-UXHICEINSA-N 0 0 489.638 2.836 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000260979908 570166531 /nfs/dbraw/zinc/16/65/31/570166531.db2.gz NYBRHLCZPJHKDW-PMACEKPBSA-N 0 0 489.638 2.956 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000261027954 570166892 /nfs/dbraw/zinc/16/68/92/570166892.db2.gz WRKXXPLULOZZKH-ROUUACIJSA-N 0 0 493.601 2.932 40 0 JFABRN CC(=O)Oc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000409205058 570166928 /nfs/dbraw/zinc/16/69/28/570166928.db2.gz NWEHWZJHCXOVLW-RCCKNPSSSA-N 0 0 465.531 2.997 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000261038772 570166946 /nfs/dbraw/zinc/16/69/46/570166946.db2.gz YHLPPURWVDKDLF-UXHICEINSA-N 0 0 459.612 2.827 40 0 JFABRN COc1cc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(OC)c1OC ZINC000261363414 570167952 /nfs/dbraw/zinc/16/79/52/570167952.db2.gz RUEJCLLIVWEYJB-NRFANRHFSA-O 0 0 455.516 2.798 40 0 JFABRN CCOC(=O)c1cc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)ccc1Cl ZINC000409219700 570173975 /nfs/dbraw/zinc/17/39/75/570173975.db2.gz PDEXBAXWJBXJNV-UHFFFAOYSA-N 0 0 456.838 2.742 40 0 JFABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1)c1ccccc1 ZINC000409225850 570175942 /nfs/dbraw/zinc/17/59/42/570175942.db2.gz MGINHIFEZRBGMH-KRWDZBQOSA-N 0 0 487.603 2.945 40 0 JFABRN CCN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)OC)c(Br)c2)C1=O ZINC000409229833 570177242 /nfs/dbraw/zinc/17/72/42/570177242.db2.gz AFSYBXPSLLTWNE-IZZDOVSWSA-N 0 0 462.094 2.676 40 0 JFABRN O=C(c1cc(=O)n2n1CCn1nc(-c3cccc(OCC4CC4)c3)nc1-2)N1CCc2ccccc2C1 ZINC000306129870 570178163 /nfs/dbraw/zinc/17/81/63/570178163.db2.gz IPFHCPIZOYHQML-UHFFFAOYSA-N 0 0 482.544 2.898 40 0 JFABRN OCCCNc1nc(Nc2ccc(I)cc2F)cc(-c2cccnc2)n1 ZINC000329025269 570182195 /nfs/dbraw/zinc/18/21/95/570182195.db2.gz PFCXRVHNSQFSGX-UHFFFAOYSA-N 0 0 465.270 2.664 40 0 JFABRN CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)OCC)c(I)c2)C1=O ZINC000409246813 570184572 /nfs/dbraw/zinc/18/45/72/570184572.db2.gz DVEYABFNVXKTAZ-UKTHLTGXSA-N 0 0 458.252 2.536 40 0 JFABRN COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cccc1OC ZINC000408530414 570187602 /nfs/dbraw/zinc/18/76/02/570187602.db2.gz KWXUYYMDSAEFSC-WOJGMQOQSA-N 0 0 486.502 2.931 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NCc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1 ZINC000409272477 570189416 /nfs/dbraw/zinc/18/94/16/570189416.db2.gz QOAXCHNVUDTRJM-UHFFFAOYSA-N 0 0 484.530 2.944 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(I)cc2)cc1C ZINC000408550503 570194991 /nfs/dbraw/zinc/19/49/91/570194991.db2.gz CWVQLIZUXCFBDS-LBPRGKRZSA-N 0 0 474.320 2.914 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)cc1OC ZINC000408557742 570198471 /nfs/dbraw/zinc/19/84/71/570198471.db2.gz HQJKKGSMYVSTOB-SFHVURJKSA-N 0 0 491.585 2.592 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)c1ccccc1C ZINC000408558865 570199277 /nfs/dbraw/zinc/19/92/77/570199277.db2.gz UEIACKZNWGHXJH-UHFFFAOYSA-N 0 0 475.548 2.704 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3OC)CC2)c(Cl)c1 ZINC000408559792 570199968 /nfs/dbraw/zinc/19/99/68/570199968.db2.gz YXMZNFYICRPTOQ-UHFFFAOYSA-N 0 0 482.002 2.765 40 0 JFABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000408560256 570200377 /nfs/dbraw/zinc/20/03/77/570200377.db2.gz YDQNTBOIDAYGQK-UHFFFAOYSA-N 0 0 461.584 2.501 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1OC ZINC000408560275 570200391 /nfs/dbraw/zinc/20/03/91/570200391.db2.gz OGAKOWUHAIJEKC-GOSISDBHSA-N 0 0 491.585 2.592 40 0 JFABRN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCN3CCOCC3)CC2=O)cc1 ZINC000408576333 570205896 /nfs/dbraw/zinc/20/58/96/570205896.db2.gz GLLPLFCIBQYCEM-HXUWFJFHSA-N 0 0 494.592 2.529 40 0 JFABRN C[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000408578040 570206253 /nfs/dbraw/zinc/20/62/53/570206253.db2.gz KBLVRFHKNAOXSZ-KBPBESRZSA-N 0 0 480.348 2.861 40 0 JFABRN O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408579126 570206460 /nfs/dbraw/zinc/20/64/60/570206460.db2.gz MWTHZXJIEJPNEA-GOSISDBHSA-N 0 0 484.984 2.784 40 0 JFABRN COC(=O)c1cc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc(C(=O)OC)c1 ZINC000408584194 570207524 /nfs/dbraw/zinc/20/75/24/570207524.db2.gz MWUOVKOQYULSLR-UHFFFAOYSA-N 0 0 462.524 2.518 40 0 JFABRN COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc(C(=O)OC)c1 ZINC000408584337 570207558 /nfs/dbraw/zinc/20/75/58/570207558.db2.gz OHZIAPJAYRSAME-UHFFFAOYSA-N 0 0 492.550 2.520 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc(C(=O)OC)c1 ZINC000408584456 570207588 /nfs/dbraw/zinc/20/75/88/570207588.db2.gz PWNCEELAEJSRPB-INIZCTEOSA-N 0 0 474.535 2.608 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C ZINC000408587065 570208292 /nfs/dbraw/zinc/20/82/92/570208292.db2.gz BEJMXTGCSABKOM-KRWDZBQOSA-N 0 0 466.003 2.981 40 0 JFABRN NC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2Cl)CC1 ZINC000408588483 570208597 /nfs/dbraw/zinc/20/85/97/570208597.db2.gz GKOMEGIIWIBLPA-UHFFFAOYSA-N 0 0 491.997 2.584 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408589477 570208799 /nfs/dbraw/zinc/20/87/99/570208799.db2.gz HWVYIHJXZSGXMX-UHFFFAOYSA-N 0 0 455.536 2.919 40 0 JFABRN CCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408591622 570209256 /nfs/dbraw/zinc/20/92/56/570209256.db2.gz IUVZMVKYESUZTC-UHFFFAOYSA-N 0 0 467.975 2.602 40 0 JFABRN CO[C@]12C[C@@H]3[C@H]([C@H](C)C1=CC(=O)O2)[C@H](O)[C@H](OC(C)=O)[C@@H]1C(C)(C)[C@H](OC(C)=O)CC[C@@]31C ZINC000253389909 291485850 /nfs/dbraw/zinc/48/58/50/291485850.db2.gz MIFAMIONJNEQDA-ZDRJFGDKSA-N 0 0 464.555 2.765 40 0 biogenic,in-vitro JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000000707217 193901169 /nfs/dbraw/zinc/90/11/69/193901169.db2.gz ICIKXAMSYXNZKH-DPWKNNTCSA-N 0 0 456.545 2.574 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)o1 ZINC000000886176 193948432 /nfs/dbraw/zinc/94/84/32/193948432.db2.gz HPKHKRREHBGTFO-AUSIDOKSSA-N 0 0 496.568 2.951 40 0 JFABRN O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)NCc1ccccc1 ZINC000000902380 193957441 /nfs/dbraw/zinc/95/74/41/193957441.db2.gz KXLVTITZYYSPSI-UHFFFAOYSA-N 0 0 458.565 2.930 40 0 aggregator JFABRN COc1cccc(-c2nnn(CC(=O)Nc3cc(OC)c(NC(=O)c4ccco4)cc3OC)n2)c1 ZINC000000919667 193969648 /nfs/dbraw/zinc/96/96/48/193969648.db2.gz ADGBVMMMINTWBF-UHFFFAOYSA-N 0 0 478.465 2.850 40 0 JFABRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4F)n3)cc2)C1 ZINC000000922363 193973078 /nfs/dbraw/zinc/97/30/78/193973078.db2.gz QDHPUDXMXBDVJG-OAHLLOKOSA-N 0 0 458.519 2.539 40 0 aggregator JFABRN O=C(c1ccc(F)cc1F)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)CC1 ZINC000001325082 194086292 /nfs/dbraw/zinc/08/62/92/194086292.db2.gz VXMQYXFHWOOFGU-UHFFFAOYSA-N 0 0 450.449 2.861 40 0 JFABRN O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000001325740 194086734 /nfs/dbraw/zinc/08/67/34/194086734.db2.gz PABCEVMNPCZUJK-UHFFFAOYSA-N 0 0 489.541 2.657 40 0 JFABRN C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc3n(CC(=O)N4CCCC4)c4ccccc4n23)C1 ZINC000001325786 194086749 /nfs/dbraw/zinc/08/67/49/194086749.db2.gz VRPTWVZDSXXALA-IRXDYDNUSA-N 0 0 454.600 2.903 40 0 JFABRN Cc1ccc2[nH]c(C3CCN(S(=O)(=O)c4ccc(S(=O)(=O)NC5CC5)cc4)CC3)nc2c1 ZINC000001335099 194093803 /nfs/dbraw/zinc/09/38/03/194093803.db2.gz FGENIKBZZNOMMO-UHFFFAOYSA-N 0 0 474.608 2.880 40 0 JFABRN CC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C[C@@H]2COCCO2)c1 ZINC000001335254 194094020 /nfs/dbraw/zinc/09/40/20/194094020.db2.gz YAAOXZNVMNWXML-JOCHJYFZSA-N 0 0 484.574 2.954 40 0 JFABRN COc1cccc(OC)c1C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[nH]2)C1 ZINC000001334262 194092872 /nfs/dbraw/zinc/09/28/72/194092872.db2.gz JYENWYMAVPUZMH-SFHVURJKSA-N 0 0 488.548 2.908 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001373583 194107359 /nfs/dbraw/zinc/10/73/59/194107359.db2.gz RTIASOVXEAHKEH-UHFFFAOYSA-N 0 0 476.537 2.597 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCC1)Cc1cccnc1)OCCO3 ZINC000001373756 194107638 /nfs/dbraw/zinc/10/76/38/194107638.db2.gz BHVDUDMIOQGERD-UHFFFAOYSA-N 0 0 473.537 2.998 40 0 JFABRN O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1Cc1ccco1)NC1CC1 ZINC000001356083 194101391 /nfs/dbraw/zinc/10/13/91/194101391.db2.gz SMIUSBQWZVHXMB-UHFFFAOYSA-N 0 0 487.607 2.742 40 0 JFABRN CC(C)(C)n1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375706 194110525 /nfs/dbraw/zinc/11/05/25/194110525.db2.gz FLRBNHRDIAWFNS-UHFFFAOYSA-N 0 0 490.520 2.929 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(c2cccnc2)C(=O)[C@@H]2[C@@H](C(=O)Nc3ccccc3F)[C@@]3(C)C=C[C@@]12O3 ZINC000001380910 194113222 /nfs/dbraw/zinc/11/32/22/194113222.db2.gz JSWKVDFMYAQIAI-NRUSOEPOSA-N 0 0 478.524 2.819 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(I)cc3)CC2)cc1 ZINC000003556638 194337479 /nfs/dbraw/zinc/33/74/79/194337479.db2.gz BEBKITLLZQDSJQ-UHFFFAOYSA-N 0 0 470.332 2.746 40 0 JFABRN O=C(COc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(NS(=O)(=O)c2ccccc2)c1=O ZINC000003841333 194363173 /nfs/dbraw/zinc/36/31/73/194363173.db2.gz UVMFBADHZIUQHW-RBUKOAKNSA-N 0 0 479.558 2.674 40 0 biogenic,in-vitro JFABRN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(NS(=O)(=O)Cc3ccccc3)ccc12 ZINC000003841397 194363526 /nfs/dbraw/zinc/36/35/26/194363526.db2.gz ZDANCSYJKJSWNA-ZWKOTPCHSA-N 0 0 453.520 2.643 40 0 biogenic,in-vitro JFABRN C1CC[C@@H]2OCCOCCOCCO[C@H]3CCCC[C@@H]3OCCOCCOCCO[C@@H]2C1 ZINC000003861618 194364878 /nfs/dbraw/zinc/36/48/78/194364878.db2.gz QMLGNDFKJAFKGZ-NEWJYFPISA-N 0 0 460.608 2.755 40 0 JFABRN COc1cc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(NC(=O)C3CC3)c2=O)cc(OC)c1 ZINC000004236208 194385373 /nfs/dbraw/zinc/38/53/73/194385373.db2.gz ZFQMLQJBOFWYGA-GOEBONIOSA-N 0 0 452.511 2.865 40 0 biogenic,in-vitro JFABRN Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)N(CCC(C)C)[C@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@]2(C)O4)no1 ZINC000004354205 194388097 /nfs/dbraw/zinc/38/80/97/194388097.db2.gz KTRDUBAGADPKCC-HGSCEYFZSA-N 0 0 492.576 2.825 40 0 JFABRN CCOc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(OC)cc2)ccc1O ZINC000004388726 194388903 /nfs/dbraw/zinc/38/89/03/194388903.db2.gz KGUWKAPJHDUIMD-QKLQHJQFSA-N 0 0 454.401 2.903 40 0 JFABRN CC(C)[C@H](C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000004388827 194388920 /nfs/dbraw/zinc/38/89/20/194388920.db2.gz RUVCSDIPXINFSD-NFBKMPQASA-N 0 0 497.633 2.585 40 0 JFABRN COCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006239040 194421460 /nfs/dbraw/zinc/42/14/60/194421460.db2.gz RHMCHLMWKSPDEH-UHFFFAOYSA-N 0 0 469.563 2.831 40 0 JFABRN COCCCNC(=S)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006136165 194413755 /nfs/dbraw/zinc/41/37/55/194413755.db2.gz MZNUEUGNACDOHJ-UHFFFAOYSA-N 0 0 454.552 2.608 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccc(OC)cc1OC ZINC000008828620 194482428 /nfs/dbraw/zinc/48/24/28/194482428.db2.gz TTWKPCKZKQNONU-RUZDIDTESA-N 0 0 495.580 2.724 40 0 JFABRN CCn1c(=O)c2cc(Br)ccc2n(CC(=O)Nc2ccc(OC)c(OC)c2)c1=O ZINC000009935478 195027663 /nfs/dbraw/zinc/02/76/63/195027663.db2.gz WSVLTYDPNGGUSW-UHFFFAOYSA-N 0 0 462.300 2.602 40 0 JFABRN COCCNC(=O)[C@H](c1ccccc1Cl)N(C(=O)C(=O)NC1CCCC1)c1cccnc1 ZINC000012641079 195070702 /nfs/dbraw/zinc/07/07/02/195070702.db2.gz GKQOIOHRXUQCFH-FQEVSTJZSA-N 0 0 458.946 2.631 40 0 JFABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)C(=O)NC2CCCCC2)C(C)C)cc1 ZINC000012641447 195071145 /nfs/dbraw/zinc/07/11/45/195071145.db2.gz LNTAYERLMQLRJC-FCHUYYIVSA-N 0 0 459.587 2.717 40 0 JFABRN COc1ccc2cc(CN(CCCO)C(=O)c3cc(OC)c(OC)c(OC)c3)c(=O)[nH]c2c1 ZINC000012644699 195073541 /nfs/dbraw/zinc/07/35/41/195073541.db2.gz XSGRMVKJEFTYAL-UHFFFAOYSA-N 0 0 456.495 2.587 40 0 JFABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000012701179 195091379 /nfs/dbraw/zinc/09/13/79/195091379.db2.gz VSGOTLIGNHFAJT-KRWDZBQOSA-N 0 0 480.544 2.964 40 0 JFABRN Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1 ZINC000012709225 195094068 /nfs/dbraw/zinc/09/40/68/195094068.db2.gz BWPWMKVYYCDNRD-XIFFEERXSA-N 0 0 473.570 2.913 40 0 JFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1 ZINC000012711216 195095317 /nfs/dbraw/zinc/09/53/17/195095317.db2.gz YUIGKMMJXLAFOB-KXBFYZLASA-N 0 0 499.618 2.877 40 0 JFABRN COc1cc2c(cc1/C=C/C(=O)N1CCN(C(=O)[C@H]3COc4ccccc4O3)CC1)O[C@H](C)C2 ZINC000012727580 195097947 /nfs/dbraw/zinc/09/79/47/195097947.db2.gz YVAQUCFWKODKPW-NSSGLQEBSA-N 0 0 464.518 2.543 40 0 JFABRN CCOC(=O)C=c1sc(=Cc2cccc(C)c2)c(=O)n1Cc1cc(C(C)=O)ccc1OC ZINC000012801493 195139388 /nfs/dbraw/zinc/13/93/88/195139388.db2.gz AETKGHPWOCCGRJ-XJBHRDPKSA-N 0 0 451.544 2.650 40 0 JFABRN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)C(C)(C)O2 ZINC000012875382 195165603 /nfs/dbraw/zinc/16/56/03/195165603.db2.gz LIRCWKYHKCRCLS-UHFFFAOYSA-N 0 0 451.523 2.919 40 0 JFABRN COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccc(NC(C)=O)cc5)C(=O)[C@@H]24)O3)cc1OC ZINC000012894237 195174701 /nfs/dbraw/zinc/17/47/01/195174701.db2.gz HIYYJXSEASKAFG-PTGPVQHPSA-N 0 0 463.490 2.587 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000020609309 195182476 /nfs/dbraw/zinc/18/24/76/195182476.db2.gz XUIQWIMTXIPKGN-AFHVAHMMSA-N 0 0 480.542 2.521 40 0 JFABRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1ccco1 ZINC000020637014 195191673 /nfs/dbraw/zinc/19/16/73/195191673.db2.gz BZFXDBZSDIYUIR-QZTJIDSGSA-N 0 0 464.444 2.827 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OC)c(O)c1 ZINC000020801961 195227400 /nfs/dbraw/zinc/22/74/00/195227400.db2.gz OKGVVPBHHGBYLC-LEWJYISDSA-N 0 0 453.495 2.902 40 0 JFABRN O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)NCCN3CCOCC3)ccc21 ZINC000020767378 195222787 /nfs/dbraw/zinc/22/27/87/195222787.db2.gz OJFGYZZBOOYSKV-UHFFFAOYSA-N 0 0 463.987 2.544 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000057589909 195351782 /nfs/dbraw/zinc/35/17/82/195351782.db2.gz UUOMRKLIGCPSKJ-WMZHIEFXSA-N 0 0 494.596 2.675 40 0 JFABRN COCCn1nnnc1CN(Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057615868 195353849 /nfs/dbraw/zinc/35/38/49/195353849.db2.gz SDBUMJRTLZFNKC-UHFFFAOYSA-N 0 0 452.490 2.511 40 0 JFABRN CC[C@H](c1nnnn1CCOC)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641093 195355038 /nfs/dbraw/zinc/35/50/38/195355038.db2.gz UKOJFSWERCXVCM-OAQYLSRUSA-N 0 0 452.515 2.916 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641813 195356076 /nfs/dbraw/zinc/35/60/76/195356076.db2.gz IIPOXJJHARQFLZ-SIKLNZKXSA-N 0 0 482.585 2.827 40 0 JFABRN COc1ccc(Cn2nnnc2CN(CCCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000057642681 195356434 /nfs/dbraw/zinc/35/64/34/195356434.db2.gz WISXLVSBRAAKMB-UHFFFAOYSA-N 0 0 462.554 2.573 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)Cc1nnnn1Cc1ccco1)OCO3 ZINC000057643430 195356890 /nfs/dbraw/zinc/35/68/90/195356890.db2.gz KHRAVDCGDOWMNM-UHFFFAOYSA-N 0 0 460.450 2.680 40 0 JFABRN CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)CN1Cc2ccccc2C1=O ZINC000057730914 195359252 /nfs/dbraw/zinc/35/92/52/195359252.db2.gz OTHHMYUVGAONQS-QGZVFWFLSA-N 0 0 452.461 2.739 40 0 JFABRN CCCSc1nnc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)s1 ZINC000224847832 195467321 /nfs/dbraw/zinc/46/73/21/195467321.db2.gz NVHWWTACKQOZQY-UHFFFAOYSA-N 0 0 458.587 2.954 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224859475 195468998 /nfs/dbraw/zinc/46/89/98/195468998.db2.gz WNFQIPSWWZFPQV-MRXNPFEDSA-N 0 0 467.538 2.674 40 0 JFABRN Cc1nc(CN2[C@]3(CCN(C(=O)Cc4cccnc4)C3)c3ccccc3S2(=O)=O)cs1 ZINC000096261969 130003219 /nfs/dbraw/zinc/00/32/19/130003219.db2.gz SLUVLQWVTOVKTA-QFIPXVFZSA-N 0 0 454.577 2.721 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000096295832 130051175 /nfs/dbraw/zinc/05/11/75/130051175.db2.gz NKHFTZBGCLGXNM-KEXUJGGDSA-N 0 0 458.511 2.646 40 0 JFABRN CCOC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2ccc(C(=O)OC)cc2)[C@H]1C(=O)OCC ZINC000096318860 130063739 /nfs/dbraw/zinc/06/37/39/130063739.db2.gz WULIHEMIPMNPHO-NFAWXSAZSA-N 0 0 451.522 2.572 40 0 JFABRN CC(C)(C)c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NS(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000005433900 519064996 /nfs/dbraw/zinc/06/49/96/519064996.db2.gz JTNGODIDZUMXFO-SEIRJHJZSA-N 0 0 468.579 2.853 40 0 biogenic,in-vitro JFABRN CC(C)NC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H](O)[C@H]2CC(=O)NCc2ccco2)[C@]1(C)CO ZINC000004236614 519713665 /nfs/dbraw/zinc/71/36/65/519713665.db2.gz FLGHINKGWHAKOV-LQCNHDFWSA-N 0 0 450.576 2.975 40 0 biogenic,in-vitro JFABRN CC(C)CNC(=O)CCn1c2nnc(SCC(=O)NCc3ccccc3)n2c2ccccc2c1=O ZINC000033292097 519733806 /nfs/dbraw/zinc/73/38/06/519733806.db2.gz OVELUAXSWBBKFI-UHFFFAOYSA-N 0 0 492.605 2.615 40 0 JFABRN CCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCOC)c1ccc(OC)c(OC)c1 ZINC000013509238 520345991 /nfs/dbraw/zinc/34/59/91/520345991.db2.gz QAPGPUOVBNBFMY-DEOSSOPVSA-N 0 0 483.569 2.581 40 0 JFABRN CCOC(=O)C1=C(CN(C)Cc2c(C)nn(CC)c2C)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000022820727 520509600 /nfs/dbraw/zinc/50/96/00/520509600.db2.gz CQTGBHVRIDTUPF-DEOSSOPVSA-N 0 0 499.612 2.978 40 0 JFABRN CCOC(=O)CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OCC ZINC000004362799 520706234 /nfs/dbraw/zinc/70/62/34/520706234.db2.gz UOXZZAHKLIZDEJ-HXUWFJFHSA-N 0 0 476.551 2.801 40 0 JFABRN CCCCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000006481026 520883163 /nfs/dbraw/zinc/88/31/63/520883163.db2.gz KCPDMUVCZAEJII-ZDUSSCGKSA-N 0 0 461.588 2.953 40 0 JFABRN CCC[C@H](C(=O)NC[C@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000013503134 520980281 /nfs/dbraw/zinc/98/02/81/520980281.db2.gz LLCLHKYNIXGKCJ-IFMALSPDSA-N 0 0 491.585 2.601 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(OC)c1 ZINC000019818505 521091298 /nfs/dbraw/zinc/09/12/98/521091298.db2.gz HVQFNSYVGIUHCF-LEWJYISDSA-N 0 0 453.495 2.902 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000020017246 521192980 /nfs/dbraw/zinc/19/29/80/521192980.db2.gz HPWHTUOKSJNUID-UHFFFAOYSA-N 0 0 462.568 2.820 40 0 JFABRN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)C2=O)cc1 ZINC000016819076 521483199 /nfs/dbraw/zinc/48/31/99/521483199.db2.gz YBUTUPUGFUHATQ-HXUWFJFHSA-N 0 0 474.521 2.555 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c(Cl)c1 ZINC000044949176 521515352 /nfs/dbraw/zinc/51/53/52/521515352.db2.gz QKFOTKBZWHTAQP-UHFFFAOYSA-N 0 0 466.943 2.931 40 0 JFABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c(Cl)c1 ZINC000022515815 521521882 /nfs/dbraw/zinc/52/18/82/521521882.db2.gz PGESIPHJVRYAGY-UHFFFAOYSA-N 0 0 482.942 2.799 40 0 JFABRN CCCn1c2nn(CC(=O)c3cc(C)ccc3C)c(=O)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000035481531 521640617 /nfs/dbraw/zinc/64/06/17/521640617.db2.gz PUSDPGUGHAKGQO-UHFFFAOYSA-N 0 0 475.549 2.859 40 0 JFABRN COC(=O)c1c2c(sc1NC(=O)[C@H]1CN(S(C)(=O)=O)c3ccccc3O1)CCCC2 ZINC000022518692 521787381 /nfs/dbraw/zinc/78/73/81/521787381.db2.gz QBSFWHPBXJIQTG-OAHLLOKOSA-N 0 0 450.538 2.579 40 0 JFABRN COC(=O)c1cc(C(=O)OC)cc(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)c1 ZINC000022607890 521818650 /nfs/dbraw/zinc/81/86/50/521818650.db2.gz IYITTYSKFMYKKF-UHFFFAOYSA-N 0 0 455.430 2.669 40 0 JFABRN CC[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1cccc(F)c1 ZINC000013503159 521854441 /nfs/dbraw/zinc/85/44/41/521854441.db2.gz BNIAUVOECFNUBN-NRFANRHFSA-N 0 0 491.516 2.964 40 0 JFABRN COC(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc(C(=O)OC)c1 ZINC000014291854 521890553 /nfs/dbraw/zinc/89/05/53/521890553.db2.gz JSMQUAQDKKWWSU-UHFFFAOYSA-N 0 0 490.534 2.695 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 ZINC000020111358 521980114 /nfs/dbraw/zinc/98/01/14/521980114.db2.gz SHHQHFGDFRJCSR-UHFFFAOYSA-N 0 0 474.535 2.828 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc(OC)ccc1OC)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013496409 522154977 /nfs/dbraw/zinc/15/49/77/522154977.db2.gz LYXIEOVZPMVAPN-JOCHJYFZSA-N 0 0 495.609 2.858 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000020083333 522157231 /nfs/dbraw/zinc/15/72/31/522157231.db2.gz FEUQWWFDUQHZND-DEOSSOPVSA-N 0 0 473.581 2.689 40 0 JFABRN CC[C@@H](C)NC(=O)CCn1c2nnc(SCC(=O)NCc3cccs3)n2c2ccccc2c1=O ZINC000033169994 522158538 /nfs/dbraw/zinc/15/85/38/522158538.db2.gz YLZLFAHPXJQBMH-OAHLLOKOSA-N 0 0 498.634 2.819 40 0 JFABRN COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(OC)cc4)CO[C@H]23)c1 ZINC000004147428 522239542 /nfs/dbraw/zinc/23/95/42/522239542.db2.gz WFAMSHJJKBSIQL-MTQWCTHYSA-N 0 0 487.534 2.552 40 0 biogenic,in-vitro JFABRN COc1cc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc(I)c1O ZINC000026510062 522953906 /nfs/dbraw/zinc/95/39/06/522953906.db2.gz OOYPGQDTVGKBFG-AWEZNQCLSA-N 0 0 470.267 2.837 40 0 JFABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000044886513 523052227 /nfs/dbraw/zinc/05/22/27/523052227.db2.gz UBROKUYNVYDZAF-HXUWFJFHSA-N 0 0 464.540 2.521 40 0 JFABRN COc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc43)c(=O)[nH]c2cc1OC ZINC000006136478 523059116 /nfs/dbraw/zinc/05/91/16/523059116.db2.gz FZROWPWTZPBPMU-HOYKHHGWSA-N 0 0 488.548 2.863 40 0 JFABRN COc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc43)c(=O)[nH]c2cc1OC ZINC000006136456 523059637 /nfs/dbraw/zinc/05/96/37/523059637.db2.gz FZROWPWTZPBPMU-KOSHJBKYSA-N 0 0 488.548 2.863 40 0 JFABRN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000006878413 523207020 /nfs/dbraw/zinc/20/70/20/523207020.db2.gz IVSLNDMMPYPJLD-UHFFFAOYSA-N 0 0 478.538 2.517 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@@H](C)C(=O)NCCC(C)C)n2)cc1OC ZINC000006134344 523268982 /nfs/dbraw/zinc/26/89/82/523268982.db2.gz YVWTWDIJVURTHG-IBGZPJMESA-N 0 0 494.596 2.937 40 0 JFABRN COCCN(CCOC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccncc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466984 523711604 /nfs/dbraw/zinc/71/16/04/523711604.db2.gz FUAUSMDWWAWJJB-GDQGXXANSA-N 0 0 489.657 2.761 40 0 biogenic,in-vitro JFABRN COCCN(CCOC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccncc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466986 523712258 /nfs/dbraw/zinc/71/22/58/523712258.db2.gz FUAUSMDWWAWJJB-YGNMXRPASA-N 0 0 489.657 2.761 40 0 biogenic,in-vitro JFABRN CO[C@@H]1OC[C@@H](NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O ZINC000005492878 523778172 /nfs/dbraw/zinc/77/81/72/523778172.db2.gz HDWFQKCUDHLFAA-OTUUDDROSA-N 0 0 458.640 2.649 40 0 JFABRN CC[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000013502856 523786142 /nfs/dbraw/zinc/78/61/42/523786142.db2.gz WGQOJRCIYQUUOA-OAQYLSRUSA-N 0 0 473.526 2.825 40 0 JFABRN COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(N(C)C=O)cc1 ZINC000008637656 523897312 /nfs/dbraw/zinc/89/73/12/523897312.db2.gz XMVGOROXGZNDRK-NRFANRHFSA-N 0 0 455.511 2.647 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C ZINC000012467272 523918612 /nfs/dbraw/zinc/91/86/12/523918612.db2.gz HDYIYFIMZGDAKM-FQEVSTJZSA-N 0 0 499.568 2.731 40 0 JFABRN COc1ccc(CCNC(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1OC ZINC000022562772 523953761 /nfs/dbraw/zinc/95/37/61/523953761.db2.gz ABXRKZSVOFSWPQ-UHFFFAOYSA-N 0 0 456.539 2.932 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cccc(Br)c2)cc1 ZINC000020021147 523960007 /nfs/dbraw/zinc/96/00/07/523960007.db2.gz JZRJGAOHXGECNW-CQSZACIVSA-N 0 0 471.373 2.630 40 0 JFABRN COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000020005195 523965300 /nfs/dbraw/zinc/96/53/00/523965300.db2.gz GYIAOZQYUTWJHF-HSZRJFAPSA-N 0 0 498.601 2.961 40 0 JFABRN COc1ccc(CN(C)C(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1OC ZINC000020483655 523993374 /nfs/dbraw/zinc/99/33/74/523993374.db2.gz PHSFQTXBJYXMBN-UHFFFAOYSA-N 0 0 471.373 2.891 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000020150775 524014355 /nfs/dbraw/zinc/01/43/55/524014355.db2.gz QGKJXAMFYPSPLC-AVJFOWIRSA-N 0 0 496.585 2.881 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000020150817 524014616 /nfs/dbraw/zinc/01/46/16/524014616.db2.gz QGEGYURRMPKSKK-FBROZUCGSA-N 0 0 482.558 2.710 40 0 JFABRN COc1ccc(Cc2nn3c(nn(CC(=O)Nc4ccc(C)c(C)c4)c3=S)[nH]c2=O)cc1 ZINC000016778141 524165602 /nfs/dbraw/zinc/16/56/02/524165602.db2.gz GJNJKCUKWDLKJE-UHFFFAOYSA-N 0 0 450.524 2.804 40 0 JFABRN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(N)=O)N[C@]12c1cc(Cl)cc(C)c1NC2=O ZINC000015973036 524239773 /nfs/dbraw/zinc/23/97/73/524239773.db2.gz BRWUYCPEJAIJGQ-DZKLMBRESA-N 0 0 477.348 2.950 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cccnc2)N2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000019556158 524267774 /nfs/dbraw/zinc/26/77/74/524267774.db2.gz MSXLTLOPFIFHLJ-XMMPIXPASA-N 0 0 457.538 2.742 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000016347156 524325153 /nfs/dbraw/zinc/32/51/53/524325153.db2.gz OQKRAAYRPDZWFF-UHFFFAOYSA-N 0 0 469.966 2.765 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1Cl ZINC000012312009 524499897 /nfs/dbraw/zinc/49/98/97/524499897.db2.gz RJLTVOCNGSJSNI-OFQRWUPVSA-N 0 0 468.959 2.737 40 0 JFABRN Cc1ccc(CNC(=O)CSc2nnc3n2c2ccccc2c(=O)n3CCC(=O)NC(C)C)cc1 ZINC000033292012 524508795 /nfs/dbraw/zinc/50/87/95/524508795.db2.gz WEQXHPOQJDLTEN-UHFFFAOYSA-N 0 0 492.605 2.676 40 0 JFABRN COc1ccc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)c4cncnc4)c23)cc1 ZINC000008300389 524558495 /nfs/dbraw/zinc/55/84/95/524558495.db2.gz BNWMXIDPSXNYIS-JKSUJKDBSA-N 0 0 460.494 2.550 40 0 biogenic,in-vitro JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000027632954 525029434 /nfs/dbraw/zinc/02/94/34/525029434.db2.gz WKDGZKZHCGCPOL-GOSISDBHSA-N 0 0 459.568 2.571 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)C2)cc1 ZINC000006161909 525034112 /nfs/dbraw/zinc/03/41/12/525034112.db2.gz RRROEPPWOUXIQU-INIZCTEOSA-N 0 0 498.540 2.691 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1OC ZINC000020005622 525069539 /nfs/dbraw/zinc/06/95/39/525069539.db2.gz DISYRWOWPULAST-FQEVSTJZSA-N 0 0 464.584 2.525 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000020005526 525070090 /nfs/dbraw/zinc/07/00/90/525070090.db2.gz YVERFNMZQSFAHE-IBGZPJMESA-N 0 0 484.530 2.961 40 0 JFABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000020487264 525107857 /nfs/dbraw/zinc/10/78/57/525107857.db2.gz WGKCCHPKUCUCCB-HNNXBMFYSA-N 0 0 466.581 2.844 40 0 JFABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000020040845 525112633 /nfs/dbraw/zinc/11/26/33/525112633.db2.gz WPBPTMBFXZHGNF-OAHLLOKOSA-N 0 0 466.581 2.844 40 0 JFABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006075000 525114752 /nfs/dbraw/zinc/11/47/52/525114752.db2.gz BATXYSRLSQWCDS-SFHVURJKSA-N 0 0 485.566 2.724 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1OC ZINC000020011989 525133810 /nfs/dbraw/zinc/13/38/10/525133810.db2.gz AYUNLXGUPUFDJH-CYBMUJFWSA-N 0 0 471.373 2.964 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000020488334 525149799 /nfs/dbraw/zinc/14/97/99/525149799.db2.gz WVSQVPGGAJXCNL-UHFFFAOYSA-N 0 0 452.458 2.974 40 0 JFABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000020108071 525187765 /nfs/dbraw/zinc/18/77/65/525187765.db2.gz RFIURQNZVFCYRX-QFIPXVFZSA-N 0 0 465.531 2.782 40 0 JFABRN COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC ZINC000044900517 525311389 /nfs/dbraw/zinc/31/13/89/525311389.db2.gz OBXSYFIEVSKNMX-GJZGRUSLSA-N 0 0 464.540 2.507 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000019553441 525381059 /nfs/dbraw/zinc/38/10/59/525381059.db2.gz XLBJPZXKSGOWDV-XZOQPEGZSA-N 0 0 452.534 2.911 40 0 JFABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc4C3)cc2c1 ZINC000036300725 525478845 /nfs/dbraw/zinc/47/88/45/525478845.db2.gz PSVMHCYVEMPIHV-ZJSXRUAMSA-N 0 0 472.549 2.850 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC2CCCCC2)Cc2cccs2)cc1 ZINC000013502948 525563629 /nfs/dbraw/zinc/56/36/29/525563629.db2.gz MOILBKWLJVFJPX-UHFFFAOYSA-N 0 0 463.625 2.813 40 0 JFABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCCN3CCOCC3)c2)cc1 ZINC000044948681 525604583 /nfs/dbraw/zinc/60/45/83/525604583.db2.gz ZDNVKEFLAXZCHU-UHFFFAOYSA-N 0 0 451.976 2.901 40 0 JFABRN Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccc(F)cc2)C[C@H]2CCCO2)c1 ZINC000013503691 525678174 /nfs/dbraw/zinc/67/81/74/525678174.db2.gz HKTGRXSUDITNJX-HXUWFJFHSA-N 0 0 456.518 2.572 40 0 JFABRN C[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466503 526051983 /nfs/dbraw/zinc/05/19/83/526051983.db2.gz WZTONKIFGNXPPQ-ZQALBEJHSA-N 0 0 491.717 2.959 40 0 biogenic,in-vitro JFABRN COc1cccc(Cn2nc3n(c2=O)c2ccccc2c(=O)n3CCC(=O)NC2CCCCC2)c1 ZINC000048988761 526111829 /nfs/dbraw/zinc/11/18/29/526111829.db2.gz XRPQRSGYUOVVGV-UHFFFAOYSA-N 0 0 475.549 2.707 40 0 JFABRN COc1cccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1 ZINC000012480741 526133800 /nfs/dbraw/zinc/13/38/00/526133800.db2.gz CUEGDCSSMXUAJD-UHFFFAOYSA-N 0 0 452.490 2.580 40 0 JFABRN Oc1ccc(Cc2ccc(O)c(C(=S)N3CCOCC3)c2)cc1C(=S)N1CCOCC1 ZINC000016384762 526345642 /nfs/dbraw/zinc/34/56/42/526345642.db2.gz MPRVSYRJFXMNKP-UHFFFAOYSA-N 0 0 458.605 2.704 40 0 JFABRN O=C(CN(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1)NCc1ccco1 ZINC000013503255 526692183 /nfs/dbraw/zinc/69/21/83/526692183.db2.gz BPVZDQSVQYVQPC-UHFFFAOYSA-N 0 0 479.917 2.700 40 0 JFABRN O=C(CN(Cc1ccccc1Cl)C(=O)c1ccc(CN2CCOCC2)o1)NC[C@H]1CCCO1 ZINC000019348695 526700613 /nfs/dbraw/zinc/70/06/13/526700613.db2.gz URYXDIPIAUBIBC-LJQANCHMSA-N 0 0 475.973 2.703 40 0 JFABRN O=C(NCc1ccccc1CN1CCCC1=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000043770416 526743624 /nfs/dbraw/zinc/74/36/24/526743624.db2.gz AGNZVBLHNHILEK-FQEVSTJZSA-N 0 0 473.570 2.665 40 0 JFABRN O=C(c1cccc(I)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033371545 526767716 /nfs/dbraw/zinc/76/77/16/526767716.db2.gz IIWCVSQFXIRNLC-UHFFFAOYSA-N 0 0 450.276 2.978 40 0 JFABRN O=C(c1ccco1)N1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2ccc(Cl)cc2)CC1 ZINC000019342052 526830454 /nfs/dbraw/zinc/83/04/54/526830454.db2.gz VBONLWFLPLCHLW-AZUAARDMSA-N 0 0 456.934 2.646 40 0 JFABRN Cc1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C(N)=O)c1C ZINC000036350489 526880107 /nfs/dbraw/zinc/88/01/07/526880107.db2.gz OTPCZCGVRLIDBE-UHFFFAOYSA-N 0 0 486.619 2.562 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000016479809 526965947 /nfs/dbraw/zinc/96/59/47/526965947.db2.gz BIDNAGGUHHCXHZ-UHFFFAOYSA-N 0 0 457.596 2.631 40 0 JFABRN O=C(COc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O)Nc1ccc(F)cc1 ZINC000047154896 526986473 /nfs/dbraw/zinc/98/64/73/526986473.db2.gz GWHQMXWUTXWFIO-MOSHPQCFSA-N 0 0 473.489 2.917 40 0 JFABRN NC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1 ZINC000020459301 527058783 /nfs/dbraw/zinc/05/87/83/527058783.db2.gz VZEXIWDEVNACKY-UHFFFAOYSA-N 0 0 480.384 2.729 40 0 JFABRN NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCC2)c2cccc(C(F)(F)F)c2)c1N ZINC000012480519 527105154 /nfs/dbraw/zinc/10/51/54/527105154.db2.gz LDORTFOWWPNCSH-UHFFFAOYSA-N 0 0 455.462 2.549 40 0 JFABRN O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCC1)C1CCCCC1)Nc1ccc(F)cc1 ZINC000004399793 527192248 /nfs/dbraw/zinc/19/22/48/527192248.db2.gz RECBXVVQGFCOFQ-JGCGQSQUSA-N 0 0 465.591 2.733 40 0 JFABRN O=S(=O)(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(C2CCCC2)n1)c1cccc2cccnc21 ZINC000005433980 527243495 /nfs/dbraw/zinc/24/34/95/527243495.db2.gz GRSPGSDLMVLLSJ-BZRIBIQUSA-N 0 0 481.578 2.608 40 0 biogenic,in-vitro JFABRN O=S(=O)(c1ccc(Br)cc1)N1CCN(c2ncc(Br)cn2)CC1 ZINC000020437003 527269663 /nfs/dbraw/zinc/26/96/63/527269663.db2.gz AVVJRAUJHYSPRB-UHFFFAOYSA-N 0 0 462.167 2.513 40 0 JFABRN O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2c1nnn2Cc1ccccc1 ZINC000006161945 527274312 /nfs/dbraw/zinc/27/43/12/527274312.db2.gz VWHBBYLHMDDKQP-MRXNPFEDSA-N 0 0 468.514 2.683 40 0 JFABRN O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3cccs3)CO[C@H]12 ZINC000004222890 527331845 /nfs/dbraw/zinc/33/18/45/527331845.db2.gz AUTDIGDSXGMSAL-SJXGUFTOSA-N 0 0 478.470 2.829 40 0 biogenic,in-vitro JFABRN Cn1ccc(-c2nnc(SCC3N=NC(=S)N3Cc3ccco3)n2C[C@@H]2CCCO2)n1 ZINC000002789656 527334608 /nfs/dbraw/zinc/33/46/08/527334608.db2.gz ZAMHJBKOSCETKU-AWEZNQCLSA-N 0 0 458.573 2.671 40 0 JFABRN O=c1c(NS(=O)(=O)c2cccs2)ccc2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1 ZINC000004150101 527453583 /nfs/dbraw/zinc/45/35/83/527453583.db2.gz MIBQLVJAAUUGTK-JKSUJKDBSA-N 0 0 491.616 2.519 40 0 biogenic,in-vitro JFABRN Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccc(Br)cc1 ZINC000027525396 527584542 /nfs/dbraw/zinc/58/45/42/527584542.db2.gz CDPSLFKDAZXWIO-UHFFFAOYSA-N 0 0 462.329 2.923 40 0 JFABRN OC[C@@H]1O[C@H](CN(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)[C@H](N2CCOCC2)[C@@H]1O ZINC000020464671 527599803 /nfs/dbraw/zinc/59/98/03/527599803.db2.gz HWXRRDSFYHWXRZ-NAVOZUGXSA-N 0 0 481.420 2.817 40 0 biogenic,in-vitro JFABRN O=C([O-])C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012480884 527630119 /nfs/dbraw/zinc/63/01/19/527630119.db2.gz VYZNWXYIRKOUNZ-LWYYNNOASA-N 0 0 469.607 2.972 40 0 biogenic,in-vitro JFABRN Cc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1C ZINC000000798878 553783292 /nfs/dbraw/zinc/78/32/92/553783292.db2.gz XTQLTIVUZWPFRC-UHFFFAOYSA-N 0 0 481.553 2.969 40 0 JFABRN Cn1c2nc(SCC(=O)N3CCc4ccccc43)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000798851 553783349 /nfs/dbraw/zinc/78/33/49/553783349.db2.gz BCKLORMJBGAKCK-UHFFFAOYSA-N 0 0 495.992 2.817 40 0 JFABRN Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1 ZINC000000798875 553783387 /nfs/dbraw/zinc/78/33/87/553783387.db2.gz YZVHMEIAKOKXRR-UHFFFAOYSA-N 0 0 481.553 2.969 40 0 JFABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCc3ccco3)cc12 ZINC000000878518 553814508 /nfs/dbraw/zinc/81/45/08/553814508.db2.gz NCQBKCJGGWQQFX-UHFFFAOYSA-N 0 0 454.596 2.947 40 0 JFABRN COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccc(C)cc4)n3)cc2)cc1 ZINC000000882681 553819303 /nfs/dbraw/zinc/81/93/03/553819303.db2.gz IJPOZGBKSWSDCJ-UHFFFAOYSA-N 0 0 492.561 2.774 40 0 JFABRN O=C(Cn1nnc(-c2cccs2)n1)N(C[C@@H]1CCCO1)[C@@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000000887304 553825730 /nfs/dbraw/zinc/82/57/30/553825730.db2.gz QRRPRPSNRLUMAC-SIKLNZKXSA-N 0 0 495.609 2.604 40 0 JFABRN O=C(CN(C(=O)Cn1nnc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1)NC[C@H]1CCCO1 ZINC000000887643 553825856 /nfs/dbraw/zinc/82/58/56/553825856.db2.gz UAKHQLMJGSMNRQ-MRXNPFEDSA-N 0 0 494.499 2.749 40 0 JFABRN O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccccc1F ZINC000000901093 553834752 /nfs/dbraw/zinc/83/47/52/553834752.db2.gz BAUCZIWIYJPNQY-UHFFFAOYSA-N 0 0 463.512 2.872 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000000926435 553862758 /nfs/dbraw/zinc/86/27/58/553862758.db2.gz UXGPYZFBEQPTPL-UHFFFAOYSA-N 0 0 476.537 2.597 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000926859 553863465 /nfs/dbraw/zinc/86/34/65/553863465.db2.gz YDIPVERKUBVUNG-UHFFFAOYSA-N 0 0 460.538 2.897 40 0 JFABRN COc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000000930495 553868317 /nfs/dbraw/zinc/86/83/17/553868317.db2.gz DWMQJFRYGQPWGO-UHFFFAOYSA-N 0 0 479.562 2.530 40 0 JFABRN Cc1ccc2cc(CN(CCN3CCOCC3)C(=S)NCc3ccco3)c(=O)[nH]c2c1C ZINC000000931906 553870286 /nfs/dbraw/zinc/87/02/86/553870286.db2.gz OGNZLALTXXFJQL-UHFFFAOYSA-N 0 0 454.596 2.947 40 0 JFABRN CC(C)C(=O)OC[C@@H]1O[C@@H](n2cnc3c2nc[nH]c3=S)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C ZINC000004895992 554482829 /nfs/dbraw/zinc/48/28/29/554482829.db2.gz GCIQCTFDWHVXEW-NQUFMGSDSA-N 0 0 494.570 2.721 40 0 JFABRN O=C(OC[C@@H](O)[C@@H]1OC(c2ccccc2)O[C@H]1[C@H](O)COC(=O)c1ccccc1)c1ccccc1 ZINC000005249409 554487652 /nfs/dbraw/zinc/48/76/52/554487652.db2.gz LQBNQDOSCXRLCD-LWSSLDFYSA-N 0 0 478.497 2.905 40 0 JFABRN Cc1ccc(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000005413747 554490377 /nfs/dbraw/zinc/49/03/77/554490377.db2.gz SRWUYZXLTAMGLI-BZRIBIQUSA-N 0 0 460.490 2.557 40 0 biogenic,in-vitro JFABRN COC(=O)[C@](C)(NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000006005338 554499405 /nfs/dbraw/zinc/49/94/05/554499405.db2.gz MIIRPCCNBGCALP-QMHKHESXSA-N 0 0 450.532 2.816 40 0 JFABRN CC(C)CCNC(=O)[C@@H](C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000006134058 554505924 /nfs/dbraw/zinc/50/59/24/554505924.db2.gz CVUZLZKZLXBVKN-QGZVFWFLSA-N 0 0 496.543 2.834 40 0 JFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccco2)cc1 ZINC000006134600 554506505 /nfs/dbraw/zinc/50/65/05/554506505.db2.gz XCCBIEJTZJEKHA-IBGZPJMESA-N 0 0 485.566 2.976 40 0 JFABRN CC(C)C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000006134984 554506796 /nfs/dbraw/zinc/50/67/96/554506796.db2.gz MNJKMJKTRMPDET-ZDUSSCGKSA-N 0 0 451.618 2.858 40 0 JFABRN COCCCNC(=S)N(Cc1cccnc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000006136163 554507836 /nfs/dbraw/zinc/50/78/36/554507836.db2.gz QPPXWMLAKBNBSW-UHFFFAOYSA-N 0 0 456.568 2.854 40 0 JFABRN Cc1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(F)cc4)CC2)[nH]c3=O)cc1 ZINC000006161773 554514009 /nfs/dbraw/zinc/51/40/09/554514009.db2.gz HXJTXZYYTROGNC-UHFFFAOYSA-N 0 0 482.541 2.579 40 0 JFABRN COc1ccccc1NC(=S)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006177033 554514463 /nfs/dbraw/zinc/51/44/63/554514463.db2.gz GMDAJSNBPXYFBN-UHFFFAOYSA-N 0 0 455.536 2.889 40 0 JFABRN CC(C)C[C@H](C(=O)NC(C)(C)C)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000006190445 554516594 /nfs/dbraw/zinc/51/65/94/554516594.db2.gz MNJKMJKTRMPDET-CYBMUJFWSA-N 0 0 451.618 2.858 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC(C)(C)C)c3ccncc3)n2)o1 ZINC000006281213 554525426 /nfs/dbraw/zinc/52/54/26/554525426.db2.gz PEEFIQNMNADHIJ-OAQYLSRUSA-N 0 0 477.525 2.914 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)NCCc3ccc(OC)c(OC)c3)cc2c1 ZINC000006282508 554525659 /nfs/dbraw/zinc/52/56/59/554525659.db2.gz JDIYCGVTRCPUSH-UHFFFAOYSA-N 0 0 485.606 2.856 40 0 JFABRN COc1ccc(CCNC(=S)N(CCO)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000006409573 554535023 /nfs/dbraw/zinc/53/50/23/554535023.db2.gz AFRPZFBJRZJUGE-UHFFFAOYSA-N 0 0 455.580 2.765 40 0 JFABRN Cc1cccc2cc(CN(CCCO)S(=O)(=O)c3c4nsnc4ccc3C)c(=O)[nH]c12 ZINC000006443397 554537710 /nfs/dbraw/zinc/53/77/10/554537710.db2.gz QCLZUALRHBOQMU-UHFFFAOYSA-N 0 0 458.565 2.723 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCCC1)OCCO3 ZINC000006445530 554539955 /nfs/dbraw/zinc/53/99/55/554539955.db2.gz HZJBTKURCFHPLW-QFIPXVFZSA-N 0 0 462.485 2.658 40 0 JFABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000006462194 554542940 /nfs/dbraw/zinc/54/29/40/554542940.db2.gz NJBVVIMFDMSOPV-SFHVURJKSA-N 0 0 485.566 2.811 40 0 JFABRN CCCC[C@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 ZINC000006481471 554545297 /nfs/dbraw/zinc/54/52/97/554545297.db2.gz SBVRQFZCOCVWEL-OAHLLOKOSA-N 0 0 461.588 2.953 40 0 JFABRN CCOC(=O)CCS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)CCC(=O)OCC)cc2)cc1 ZINC000006546116 554549605 /nfs/dbraw/zinc/54/96/05/554549605.db2.gz DLPJWODOJRUEDP-UHFFFAOYSA-N 0 0 482.576 2.807 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCCc1ccccc1)c1ccc2c(c1)OCCO2)Nc1ccccn1 ZINC000006548748 554550519 /nfs/dbraw/zinc/55/05/19/554550519.db2.gz PTHQKINDDMDHMB-UHFFFAOYSA-N 0 0 488.544 2.964 40 0 JFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000006551554 554551018 /nfs/dbraw/zinc/55/10/18/554551018.db2.gz LGYNLHUKUHXHGU-FQEVSTJZSA-N 0 0 458.946 2.772 40 0 JFABRN CCOCCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC1CCCC1)c1ccco1 ZINC000006600160 554555265 /nfs/dbraw/zinc/55/52/65/554555265.db2.gz SGQUHUKUFYQIJZ-JOCHJYFZSA-N 0 0 484.557 2.890 40 0 JFABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000006601014 554555671 /nfs/dbraw/zinc/55/56/71/554555671.db2.gz FCXSBDXEXLFEOE-CYBMUJFWSA-N 0 0 459.572 2.707 40 0 JFABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)C(C)C)cc1 ZINC000006601012 554555750 /nfs/dbraw/zinc/55/57/50/554555750.db2.gz IKXNNYKQQIMMFL-LJQANCHMSA-N 0 0 473.599 2.953 40 0 JFABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](CC)C(=O)NC2CCCC2)cc1 ZINC000006631778 554557080 /nfs/dbraw/zinc/55/70/80/554557080.db2.gz PPMQHGFZEOFKCK-INIZCTEOSA-N 0 0 459.572 2.707 40 0 JFABRN Cc1ccc(S(=O)(=O)Nc2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)COc4ccccc4)C2)C3)cc1 ZINC000008263739 554564544 /nfs/dbraw/zinc/56/45/44/554564544.db2.gz SMGNIMUPMXFFBO-VQTJNVASSA-N 0 0 493.585 2.982 40 0 biogenic,in-vitro JFABRN COc1cc(NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(C(C)(C)C)n2)cc(OC)c1 ZINC000008297268 554565013 /nfs/dbraw/zinc/56/50/13/554565013.db2.gz OQXBFNLETZWQDQ-RAUXBKROSA-N 0 0 457.531 2.560 40 0 biogenic,in-vitro JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000008450454 554596472 /nfs/dbraw/zinc/59/64/72/554596472.db2.gz LTQHTGCBECIVSP-PZHBDVNGSA-N 0 0 463.559 2.981 40 0 JFABRN COC(=O)c1ccc(NC(=S)N2CCN(C(=S)Nc3ccc(C(=O)OC)cc3)CC2)cc1 ZINC000008781064 554677924 /nfs/dbraw/zinc/67/79/24/554677924.db2.gz DCRYJHAIURJUHQ-UHFFFAOYSA-N 0 0 472.592 2.971 40 0 JFABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O ZINC000008818837 554702566 /nfs/dbraw/zinc/70/25/66/554702566.db2.gz ZSWCAYGIIPVGKX-LJJBLSSYSA-N 0 0 492.553 2.732 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccc(OC)cc1OC ZINC000008828619 554718975 /nfs/dbraw/zinc/71/89/75/554718975.db2.gz TTWKPCKZKQNONU-VWLOTQADSA-N 0 0 495.580 2.724 40 0 JFABRN CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000008951972 554835089 /nfs/dbraw/zinc/83/50/89/554835089.db2.gz JNTQSSGVHLUIBL-ZQLBGVBFSA-N 0 0 464.643 2.883 40 0 biogenic JFABRN CCS(=O)(=O)c1c2ccc(C(N)=O)cn2c(C(=O)c2ccc(Cl)cc2)c1S(=O)(=O)CC ZINC000009261781 555036642 /nfs/dbraw/zinc/03/66/42/555036642.db2.gz NOAWDRDHUAJAFR-UHFFFAOYSA-N 0 0 482.967 2.510 40 0 JFABRN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000009422823 555187981 /nfs/dbraw/zinc/18/79/81/555187981.db2.gz KGIUARDSEPWGMX-NCYKPQTJSA-N 0 0 451.910 2.810 40 0 JFABRN O=C(CNC(=O)c1ccco1)N(Cc1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccnc1 ZINC000013150808 555356525 /nfs/dbraw/zinc/35/65/25/555356525.db2.gz XWFUOCFBJDMHFG-JOCHJYFZSA-N 0 0 450.495 2.826 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)no1 ZINC000013150871 555356897 /nfs/dbraw/zinc/35/68/97/555356897.db2.gz QQQMLAFGEUIECA-DVECYGJZSA-N 0 0 495.536 2.755 40 0 JFABRN CC(C)[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013151042 555358207 /nfs/dbraw/zinc/35/82/07/555358207.db2.gz SQNAVHGXBDSJEZ-HSZRJFAPSA-N 0 0 469.563 2.932 40 0 JFABRN CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496014 555410429 /nfs/dbraw/zinc/41/04/29/555410429.db2.gz QAHPPMOIRKIBLA-SFTDATJTSA-N 0 0 454.575 2.646 40 0 JFABRN CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)NCc3ccc(OC)cc3)o2)cc1 ZINC000013496149 555411223 /nfs/dbraw/zinc/41/12/23/555411223.db2.gz IDWSRVWKSIYREL-UHFFFAOYSA-N 0 0 462.553 2.915 40 0 JFABRN COCCn1nnnc1[C@@H](c1ccc(O)c(OC)c1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013496463 555411763 /nfs/dbraw/zinc/41/17/63/555411763.db2.gz CQHHNIDHZYOPFH-OAQYLSRUSA-N 0 0 481.582 2.555 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](C(C)C)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500400 555439784 /nfs/dbraw/zinc/43/97/84/555439784.db2.gz VEKZUOVKBMGTHA-NZQKXSOJSA-N 0 0 482.585 2.764 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013501204 555448129 /nfs/dbraw/zinc/44/81/29/555448129.db2.gz OIVPSJZETCTDFF-LJQANCHMSA-N 0 0 482.541 2.702 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1cccs1)Nc1ccccn1 ZINC000013501558 555450414 /nfs/dbraw/zinc/45/04/14/555450414.db2.gz IQVCXTGSYPMYTB-UHFFFAOYSA-N 0 0 480.546 2.936 40 0 JFABRN CCC(C)(C)NC(=O)[C@H](C(C)C)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000013502899 555458192 /nfs/dbraw/zinc/45/81/92/555458192.db2.gz YZGAHIDGXFIXCC-KNQAVFIVSA-N 0 0 481.659 2.610 40 0 JFABRN CC[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCC1 ZINC000013503060 555459004 /nfs/dbraw/zinc/45/90/04/555459004.db2.gz BGCYIQWIGLEFLX-HXUWFJFHSA-N 0 0 465.547 2.563 40 0 JFABRN CC(C)[C@@H](C(=O)NC[C@@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000013503071 555459084 /nfs/dbraw/zinc/45/90/84/555459084.db2.gz FRLLCMXJIVHAGL-REWPJTCUSA-N 0 0 497.633 2.585 40 0 JFABRN CCC(C)(C)NC(=O)[C@H](C(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(OC)cc1 ZINC000013503031 555459133 /nfs/dbraw/zinc/45/91/33/555459133.db2.gz PGZUBWLPKRNUNN-QFIPXVFZSA-N 0 0 493.626 2.925 40 0 JFABRN O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NC1CCCCC1 ZINC000013503122 555459334 /nfs/dbraw/zinc/45/93/34/555459334.db2.gz KFOMMRUBHIEPGD-UHFFFAOYSA-N 0 0 467.588 2.643 40 0 JFABRN CC[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccccc1F ZINC000013503149 555459580 /nfs/dbraw/zinc/45/95/80/555459580.db2.gz SCFCJTGMEXKBFG-HXUWFJFHSA-N 0 0 491.516 2.964 40 0 JFABRN O=C(CN(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1)NCc1ccco1 ZINC000013503166 555459616 /nfs/dbraw/zinc/45/96/16/555459616.db2.gz UKDUTDSZQCRRST-UHFFFAOYSA-N 0 0 479.917 2.700 40 0 JFABRN CCC[C@@H](C(=O)NC[C@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000013503135 555459624 /nfs/dbraw/zinc/45/96/24/555459624.db2.gz LLCLHKYNIXGKCJ-IRLDBZIGSA-N 0 0 491.585 2.601 40 0 JFABRN COCCn1nnnc1[C@H](c1ccccc1F)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013504292 555463258 /nfs/dbraw/zinc/46/32/58/555463258.db2.gz ONMCGAPKZVIVDM-FQEVSTJZSA-N 0 0 453.547 2.980 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1OC ZINC000013504494 555463930 /nfs/dbraw/zinc/46/39/30/555463930.db2.gz SKCOQHMNBZVEPM-YADARESESA-N 0 0 482.560 2.920 40 0 JFABRN COc1ccc(OC)c([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3F)CC2)c1 ZINC000013504553 555464125 /nfs/dbraw/zinc/46/41/25/555464125.db2.gz MSDWHBTYQJRGIL-DVECYGJZSA-N 0 0 482.560 2.920 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013507802 555476999 /nfs/dbraw/zinc/47/69/99/555476999.db2.gz LQNVUBCOUZAHED-QHCPKHFHSA-N 0 0 469.538 2.591 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013508442 555478600 /nfs/dbraw/zinc/47/86/00/555478600.db2.gz LQJXWVVGUNZQSX-DEOSSOPVSA-N 0 0 491.504 2.599 40 0 JFABRN COCCNC(=O)[C@H](c1ccccc1C)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013508878 555479862 /nfs/dbraw/zinc/47/98/62/555479862.db2.gz QOBUSGHDLWKWBF-DEOSSOPVSA-N 0 0 461.522 2.865 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013509175 555480520 /nfs/dbraw/zinc/48/05/20/555480520.db2.gz UHFFRIXRSOUIGR-SANMLTNESA-N 0 0 487.560 2.973 40 0 JFABRN CCc1ccc([C@@H](C(=O)NCCOC)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013509128 555480582 /nfs/dbraw/zinc/48/05/82/555480582.db2.gz ZXGUTALSAPOHNB-OFVILXPXSA-N 0 0 479.581 2.505 40 0 JFABRN CC(=O)N[C@H](Cc1ccc(F)c(F)c1)C(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013564850 555500148 /nfs/dbraw/zinc/50/01/48/555500148.db2.gz NECNPELLJPEFCB-OAQYLSRUSA-N 0 0 499.967 2.635 40 0 JFABRN O=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)Nc1ccc(F)cc1 ZINC000013565376 555501522 /nfs/dbraw/zinc/50/15/22/555501522.db2.gz XTRFYQOLRBQVTC-UHFFFAOYSA-N 0 0 476.574 2.885 40 0 JFABRN CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000013565578 555502275 /nfs/dbraw/zinc/50/22/75/555502275.db2.gz IBMVOUCTWWFJQU-OAQYLSRUSA-N 0 0 497.539 2.722 40 0 JFABRN CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013565729 555502631 /nfs/dbraw/zinc/50/26/31/555502631.db2.gz GHTLIDOOHLDFLB-VWLOTQADSA-N 0 0 497.592 2.996 40 0 JFABRN COc1ccc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c(OC)c1 ZINC000013572317 555510700 /nfs/dbraw/zinc/51/07/00/555510700.db2.gz FEICQDUVRZUCRI-LSDHHAIUSA-N 0 0 459.593 2.941 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000019856343 555515114 /nfs/dbraw/zinc/51/51/14/555515114.db2.gz NIBNBCWXIRHMAE-UHFFFAOYSA-N 0 0 486.377 2.871 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000019856769 555517416 /nfs/dbraw/zinc/51/74/16/555517416.db2.gz UNRVYXGUTTYTGV-UHFFFAOYSA-N 0 0 474.366 2.774 40 0 JFABRN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)c(OC)c1 ZINC000013580736 555519223 /nfs/dbraw/zinc/51/92/23/555519223.db2.gz LALPOIBBSJKZST-AWEZNQCLSA-N 0 0 452.504 2.891 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868268 555522850 /nfs/dbraw/zinc/52/28/50/555522850.db2.gz CCMARIYSHRSPDW-UHFFFAOYSA-N 0 0 494.013 2.897 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000019868541 555523089 /nfs/dbraw/zinc/52/30/89/555523089.db2.gz XXSKTUCHRAXRFV-UHFFFAOYSA-N 0 0 491.585 2.773 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000019933919 555551219 /nfs/dbraw/zinc/55/12/19/555551219.db2.gz MRVWFJNQJXUZQF-QGZVFWFLSA-N 0 0 459.568 2.629 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935717 555553129 /nfs/dbraw/zinc/55/31/29/555553129.db2.gz VBOJYOVACLIUDI-UHFFFAOYSA-N 0 0 466.487 2.666 40 0 JFABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019937682 555554298 /nfs/dbraw/zinc/55/42/98/555554298.db2.gz CKTOEUVKXCYGOB-UHFFFAOYSA-N 0 0 466.925 2.706 40 0 JFABRN COc1cc2cc(CN(CCCN3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c2cc1OC ZINC000019941020 555559787 /nfs/dbraw/zinc/55/97/87/555559787.db2.gz HZFQKOTUIIARLF-UHFFFAOYSA-N 0 0 476.643 2.600 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)N3CCOCC3)cc2c1 ZINC000019941457 555560608 /nfs/dbraw/zinc/56/06/08/555560608.db2.gz GSSPIOYHYRCPDB-HSZRJFAPSA-N 0 0 460.538 2.556 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000013676471 555567245 /nfs/dbraw/zinc/56/72/45/555567245.db2.gz NNLHNJNKDKTNGV-UHFFFAOYSA-N 0 0 452.916 2.790 40 0 JFABRN CCOC(=O)N1CCN(C(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000013679196 555570767 /nfs/dbraw/zinc/57/07/67/555570767.db2.gz OYVWVTAXNIAYIW-UHFFFAOYSA-N 0 0 463.531 2.706 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1Cl ZINC000013681542 555574631 /nfs/dbraw/zinc/57/46/31/555574631.db2.gz VXOAGQBZHUAYNV-INIZCTEOSA-N 0 0 451.976 2.852 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)cc2c1 ZINC000019972912 555574659 /nfs/dbraw/zinc/57/46/59/555574659.db2.gz WLZXUWICVYPNEJ-JOCHJYFZSA-N 0 0 489.580 2.972 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(c4ccccc4F)CC3)cc2c1 ZINC000019972944 555574893 /nfs/dbraw/zinc/57/48/93/555574893.db2.gz RBYSYPJEKCEGDX-XMMPIXPASA-N 0 0 491.571 2.774 40 0 JFABRN COc1ccccc1NC(=O)CSC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000009974180 555577627 /nfs/dbraw/zinc/57/76/27/555577627.db2.gz AMOHTFVEDJGOLH-UHFFFAOYSA-N 0 0 454.508 2.741 40 0 JFABRN CCc1ccc(NC(SCC(=O)NCc2ccco2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974178 555577635 /nfs/dbraw/zinc/57/76/35/555577635.db2.gz WVEUBIHWXFJJIU-UHFFFAOYSA-N 0 0 456.524 2.566 40 0 JFABRN COc1ccc(NC(SCC(=O)Nc2cccc(OC)c2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974285 555578356 /nfs/dbraw/zinc/57/83/56/555578356.db2.gz SRRJBZQARLHQGG-UHFFFAOYSA-N 0 0 484.534 2.750 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000020005529 555579738 /nfs/dbraw/zinc/57/97/38/555579738.db2.gz YVERFNMZQSFAHE-LJQANCHMSA-N 0 0 484.530 2.961 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000020007255 555581902 /nfs/dbraw/zinc/58/19/02/555581902.db2.gz STTFUSLLOSRTOB-HXUWFJFHSA-N 0 0 482.558 2.938 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1C ZINC000020009024 555583892 /nfs/dbraw/zinc/58/38/92/555583892.db2.gz BDGJQSLWCPWLMO-OAQYLSRUSA-N 0 0 482.558 2.938 40 0 JFABRN CC[C@@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713393 555590787 /nfs/dbraw/zinc/59/07/87/555590787.db2.gz PHNBUKWOWMOAPQ-FQEVSTJZSA-N 0 0 456.568 2.976 40 0 JFABRN CC[C@@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714887 555592511 /nfs/dbraw/zinc/59/25/11/555592511.db2.gz PPQRERNRYBWLSJ-INIZCTEOSA-N 0 0 450.948 2.714 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(OC)c(OC)c3)C2)cc1 ZINC000020017313 555593078 /nfs/dbraw/zinc/59/30/78/555593078.db2.gz JNWXUMXVVUHZCK-SFHVURJKSA-N 0 0 462.568 2.820 40 0 JFABRN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1OC ZINC000020017690 555593261 /nfs/dbraw/zinc/59/32/61/555593261.db2.gz RJNQJJYHYUBVGP-MRXNPFEDSA-N 0 0 466.531 2.569 40 0 JFABRN CC[C@@H](C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715867 555593258 /nfs/dbraw/zinc/59/32/58/555593258.db2.gz GYCCIQNHFJFRKD-SFHVURJKSA-N 0 0 466.487 2.582 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC ZINC000020017876 555593608 /nfs/dbraw/zinc/59/36/08/555593608.db2.gz XUTKHVMSXYFTDL-MRXNPFEDSA-N 0 0 492.594 2.999 40 0 JFABRN CC[C@@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716534 555593847 /nfs/dbraw/zinc/59/38/47/555593847.db2.gz FNALMEFKFPIHAG-FQEVSTJZSA-N 0 0 467.613 2.883 40 0 JFABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1OC ZINC000020018970 555594932 /nfs/dbraw/zinc/59/49/32/555594932.db2.gz RXUKLRGZIGLFEJ-UHFFFAOYSA-N 0 0 484.574 2.920 40 0 JFABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1OC ZINC000020021396 555598492 /nfs/dbraw/zinc/59/84/92/555598492.db2.gz FGORHYQVHZDAEC-UHFFFAOYSA-N 0 0 462.568 2.820 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1OC ZINC000020021734 555599056 /nfs/dbraw/zinc/59/90/56/555599056.db2.gz GXAHOPPCBYZDIG-MRXNPFEDSA-N 0 0 450.557 2.955 40 0 JFABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)cc1OC ZINC000010041648 555606153 /nfs/dbraw/zinc/60/61/53/555606153.db2.gz RTNGMLZNZRRKFW-BDULIULHSA-N 0 0 487.626 2.949 40 0 JFABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCSCc2c(Cl)cccc2Cl)C1 ZINC000020044225 555615604 /nfs/dbraw/zinc/61/56/04/555615604.db2.gz QAQXZXUQEQHAPB-ZDUSSCGKSA-N 0 0 454.445 2.861 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3c(C)ccc(C)c3[nH]c2=O)N2CCOCC2)cc1 ZINC000020079644 555628858 /nfs/dbraw/zinc/62/88/58/555628858.db2.gz AYKIQUQYPKJJLL-HSZRJFAPSA-N 0 0 460.538 2.610 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020083672 555631236 /nfs/dbraw/zinc/63/12/36/555631236.db2.gz FSNOVMLAILBRTH-DEOSSOPVSA-N 0 0 491.571 2.829 40 0 JFABRN Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(CC(=O)NC(C)(C)C)c2ccccc2C)cc1 ZINC000020097674 555632485 /nfs/dbraw/zinc/63/24/85/555632485.db2.gz KXDFYLUXWCYVLU-YTTGMZPUSA-N 0 0 457.596 2.939 40 0 JFABRN NC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010128725 555634417 /nfs/dbraw/zinc/63/44/17/555634417.db2.gz MJVBKMOEKNFOQW-FQEVSTJZSA-N 0 0 457.939 2.967 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCc1ccccc1)Cc1nnnn1C[C@H]1CCCO1)OCO3 ZINC000020109426 555645565 /nfs/dbraw/zinc/64/55/65/555645565.db2.gz ZVJVNSZHSNKLLR-OAQYLSRUSA-N 0 0 488.548 2.667 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(OC)cc2OC)C1C(=O)c1ccc(Cl)cc1 ZINC000010231954 555655603 /nfs/dbraw/zinc/65/56/03/555655603.db2.gz AWLOJLBGLHUEBV-SFHVURJKSA-N 0 0 455.858 2.669 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(OC)cc2)C1C(=O)c1ccc(Br)cc1 ZINC000010231982 555655657 /nfs/dbraw/zinc/65/56/57/555655657.db2.gz KQZDFKVNJAAQRO-KRWDZBQOSA-N 0 0 470.283 2.769 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(F)cc2)C1C(=O)c1ccc(Br)cc1 ZINC000010231997 555655826 /nfs/dbraw/zinc/65/58/26/555655826.db2.gz JFGKRFHIECIRAL-INIZCTEOSA-N 0 0 458.247 2.900 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccccc2OC)C1C(=O)c1ccc(Br)cc1 ZINC000010231985 555655843 /nfs/dbraw/zinc/65/58/43/555655843.db2.gz VGKYJIBEKATMCP-QGZVFWFLSA-N 0 0 470.283 2.769 40 0 JFABRN COc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(Br)cc3)c(=O)n2C)cc1 ZINC000010249656 555660634 /nfs/dbraw/zinc/66/06/34/555660634.db2.gz MDTRGOQBFABPJV-UHFFFAOYSA-N 0 0 482.338 2.868 40 0 JFABRN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(CCN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1 ZINC000020160297 555676951 /nfs/dbraw/zinc/67/69/51/555676951.db2.gz VRKFEYJZNXVQPA-YLBAOQRESA-N 0 0 453.627 2.768 40 0 JFABRN C[C@@H](NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)c1ccccc1 ZINC000010335968 555691024 /nfs/dbraw/zinc/69/10/24/555691024.db2.gz ADDNBMGUVWWISN-QGZVFWFLSA-N 0 0 458.584 2.635 40 0 JFABRN Cc1ccc(NC(=S)N2CCNC(=O)[C@H]2CC(=O)N2CCN(c3ccccc3)CC2)cc1C ZINC000010339348 555693762 /nfs/dbraw/zinc/69/37/62/555693762.db2.gz RLGHCWPRYJOSPG-JOCHJYFZSA-N 0 0 465.623 2.540 40 0 JFABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c1 ZINC000010444758 555712400 /nfs/dbraw/zinc/71/24/00/555712400.db2.gz KOPAEVJBVDWYGQ-UHFFFAOYSA-N 0 0 450.513 2.594 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 ZINC000010447335 555713903 /nfs/dbraw/zinc/71/39/03/555713903.db2.gz QZNIIXUJWAYWJL-OAHLLOKOSA-N 0 0 462.524 2.736 40 0 JFABRN Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O ZINC000020236620 555730191 /nfs/dbraw/zinc/73/01/91/555730191.db2.gz AGKGQYBOZPRERZ-UHFFFAOYSA-N 0 0 465.597 2.574 40 0 JFABRN COc1ccc(CCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC ZINC000020237131 555730989 /nfs/dbraw/zinc/73/09/89/555730989.db2.gz UTRHKMJPDLYSNX-UHFFFAOYSA-N 0 0 460.474 2.848 40 0 JFABRN COc1ccccc1N1CCN(C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)CC1 ZINC000020237464 555731633 /nfs/dbraw/zinc/73/16/33/555731633.db2.gz VSRPLQPZVQJYPE-UHFFFAOYSA-N 0 0 451.976 2.772 40 0 JFABRN C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000010793065 555740393 /nfs/dbraw/zinc/74/03/93/555740393.db2.gz IQEGSSYBEQOCCA-IIDMSEBBSA-N 0 0 472.991 2.601 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(F)cc1 ZINC000020245377 555741199 /nfs/dbraw/zinc/74/11/99/555741199.db2.gz BXKYUHWWEORXRJ-UHFFFAOYSA-N 0 0 462.547 2.703 40 0 JFABRN C[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010966558 555749806 /nfs/dbraw/zinc/74/98/06/555749806.db2.gz ALUGEDBYAWQCGL-LBPRGKRZSA-N 0 0 459.305 2.951 40 0 JFABRN CCOc1ccc(-c2nnc3n(Cc4c(F)cccc4Cl)c4c(n23)n(C)c(=O)[nH]c4=O)cc1 ZINC000010970032 555750712 /nfs/dbraw/zinc/75/07/12/555750712.db2.gz WAONEAFFJCPKBP-UHFFFAOYSA-N 0 0 468.876 2.978 40 0 JFABRN Cn1c2nnc(SCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)n2c2ccccc2c1=O ZINC000011256424 555769775 /nfs/dbraw/zinc/76/97/75/555769775.db2.gz JILJJDAHWFCHSP-UHFFFAOYSA-N 0 0 476.562 2.551 40 0 JFABRN CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(NS(=O)(=O)c4ccccc4)CC3)C2=O)cc1 ZINC000020353796 555781513 /nfs/dbraw/zinc/78/15/13/555781513.db2.gz IHYWKXVUVGHZNE-JOCHJYFZSA-N 0 0 471.579 2.550 40 0 JFABRN COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000014291883 555793465 /nfs/dbraw/zinc/79/34/65/555793465.db2.gz ZDELNLTXWBCVNT-UHFFFAOYSA-N 0 0 458.580 2.811 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1cc(C(=O)OC)ccc1Cl)c1ccc2c(c1)OCO2 ZINC000014400598 555806170 /nfs/dbraw/zinc/80/61/70/555806170.db2.gz NIWKAUWVLSSGGW-UHFFFAOYSA-N 0 0 454.888 2.650 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 ZINC000011833150 555831551 /nfs/dbraw/zinc/83/15/51/555831551.db2.gz BPGTVJDMTRZBQX-QGZVFWFLSA-N 0 0 484.505 2.805 40 0 JFABRN COC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000014663374 555837195 /nfs/dbraw/zinc/83/71/95/555837195.db2.gz QKOLWTFYCUXDCT-UHFFFAOYSA-N 0 0 452.916 2.708 40 0 JFABRN CCCS(=O)(=O)c1c(C(=O)c2ccc(C)cc2)n2cccc(C(N)=O)c2c1S(=O)(=O)CCC ZINC000020595731 555839046 /nfs/dbraw/zinc/83/90/46/555839046.db2.gz YLJZAPFDWBXJQT-UHFFFAOYSA-N 0 0 490.603 2.945 40 0 JFABRN N=C1NC(=O)/C(=C/c2cc(I)cc(I)c2O)S1 ZINC000015015501 555856148 /nfs/dbraw/zinc/85/61/48/555856148.db2.gz DKMMLKFALAWXKC-UQCOIBPSSA-N 0 0 472.045 2.740 40 0 JFABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000015198690 555884098 /nfs/dbraw/zinc/88/40/98/555884098.db2.gz OFGVHCZRTLJQGO-NVXWUHKLSA-N 0 0 468.572 2.507 40 0 JFABRN CCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000022227899 555886801 /nfs/dbraw/zinc/88/68/01/555886801.db2.gz GZOMJKXRIHAFKV-UHFFFAOYSA-N 0 0 452.598 2.781 40 0 JFABRN CCOc1ccccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000022228615 555887380 /nfs/dbraw/zinc/88/73/80/555887380.db2.gz QLQKOSQQCQPWPO-UHFFFAOYSA-N 0 0 473.595 2.994 40 0 JFABRN CCOc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000022229190 555888068 /nfs/dbraw/zinc/88/80/68/555888068.db2.gz NNTAEKGKJAIRFX-UHFFFAOYSA-N 0 0 473.595 2.994 40 0 JFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000022230080 555888917 /nfs/dbraw/zinc/88/89/17/555888917.db2.gz NUOJOIHWJPTPDO-NRFANRHFSA-N 0 0 461.559 2.645 40 0 JFABRN Cc1ccc(CN(c2ccc(OCC(=O)NCCCn3ccnc3)cc2)S(C)(=O)=O)cc1 ZINC000022231885 555890901 /nfs/dbraw/zinc/89/09/01/555890901.db2.gz IBIVWKDJFPCRKR-UHFFFAOYSA-N 0 0 456.568 2.743 40 0 JFABRN Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000015269206 555891346 /nfs/dbraw/zinc/89/13/46/555891346.db2.gz NHVKVIQVMOEDOY-UHFFFAOYSA-N 0 0 472.542 2.663 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022247017 555896955 /nfs/dbraw/zinc/89/69/55/555896955.db2.gz IRUSJWFKCNGFRF-NRFANRHFSA-N 0 0 462.543 2.517 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(C)c2)CC1 ZINC000022247191 555897323 /nfs/dbraw/zinc/89/73/23/555897323.db2.gz UERKLBUTAPLEGV-QFIPXVFZSA-N 0 0 488.606 2.695 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1Cl ZINC000022248059 555898388 /nfs/dbraw/zinc/89/83/88/555898388.db2.gz HRIRDHCTAORUHA-PXNSSMCTSA-N 0 0 466.987 2.924 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1Cl ZINC000022248064 555898428 /nfs/dbraw/zinc/89/84/28/555898428.db2.gz HRIRDHCTAORUHA-FXAWDEMLSA-N 0 0 466.987 2.924 40 0 JFABRN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000022250386 555900064 /nfs/dbraw/zinc/90/00/64/555900064.db2.gz ZPGBSLFFFUCVSZ-KRWDZBQOSA-N 0 0 466.987 2.877 40 0 JFABRN COc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(N(C)S(C)(=O)=O)cc1OC ZINC000022251443 555900332 /nfs/dbraw/zinc/90/03/32/555900332.db2.gz MNUMZAISCNDKEG-UHFFFAOYSA-N 0 0 461.584 2.679 40 0 JFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022253088 555901265 /nfs/dbraw/zinc/90/12/65/555901265.db2.gz PSOSMLTXPJBCLB-FMIVXFBMSA-N 0 0 487.622 2.961 40 0 JFABRN COc1cc(C(=O)NC[C@H]2CCCO2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254366 555902619 /nfs/dbraw/zinc/90/26/19/555902619.db2.gz WIKULUDKIIAZHZ-MRXNPFEDSA-N 0 0 466.531 2.718 40 0 JFABRN COC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1F)S(C)(=O)=O ZINC000022254706 555903287 /nfs/dbraw/zinc/90/32/87/555903287.db2.gz NSFSSIPQRCQEFQ-CQSZACIVSA-N 0 0 454.520 2.574 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1C ZINC000022268219 555906966 /nfs/dbraw/zinc/90/69/66/555906966.db2.gz ZRUPDOCLMWTABU-QFIPXVFZSA-N 0 0 453.564 2.995 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000015438388 555908833 /nfs/dbraw/zinc/90/88/33/555908833.db2.gz RRFRHSBTDBDUPQ-UHFFFAOYSA-N 0 0 479.624 2.757 40 0 JFABRN COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1S(=O)(=O)NC(C)C ZINC000015591236 555917440 /nfs/dbraw/zinc/91/74/40/555917440.db2.gz CNKAAUWXXVAFNT-UHFFFAOYSA-N 0 0 451.976 2.998 40 0 JFABRN Cc1cc(Cl)ccc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000022336842 555922862 /nfs/dbraw/zinc/92/28/62/555922862.db2.gz FLBQQWRQBJYRLA-AWEZNQCLSA-N 0 0 458.989 2.695 40 0 JFABRN Cc1cc(Cl)ccc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000022336839 555922868 /nfs/dbraw/zinc/92/28/68/555922868.db2.gz FLBQQWRQBJYRLA-CQSZACIVSA-N 0 0 458.989 2.695 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc(C(=O)OC)c1 ZINC000022458272 555930590 /nfs/dbraw/zinc/93/05/90/555930590.db2.gz LHXHFOYJJANCQF-AWEZNQCLSA-N 0 0 494.953 2.953 40 0 JFABRN O=C([C@@H]1COc2ccccc2O1)N1CCN([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000022748282 555951657 /nfs/dbraw/zinc/95/16/57/555951657.db2.gz FLFHCZZAFBFTLF-XLIONFOSSA-N 0 0 490.343 2.610 40 0 JFABRN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(O)cc4)c(=O)n32)c1 ZINC000022753518 555953473 /nfs/dbraw/zinc/95/34/73/555953473.db2.gz QTMSZTDZRLMLRR-NWKGEQBZSA-N 0 0 494.569 2.910 40 0 JFABRN CC(=O)OC[C@@H]1O[C@@H](Sc2ccc(Cl)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000012364538 555959484 /nfs/dbraw/zinc/95/94/84/555959484.db2.gz FDRTYADXAMZRMR-HVTWWXFQSA-N 0 0 474.915 2.515 40 0 JFABRN COc1ccc(OC)c([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)c1 ZINC000022929064 555981245 /nfs/dbraw/zinc/98/12/45/555981245.db2.gz QWYXOPHCPNTHRT-DHLKQENFSA-N 0 0 478.597 2.777 40 0 JFABRN Cc1ccc(-n2nnnc2/C=C/N2CCN(/C=C/c3nnnn3-c3ccc(C)cc3)CC2)cc1 ZINC000022942928 555993499 /nfs/dbraw/zinc/99/34/99/555993499.db2.gz NKEJIEAVQMFRIG-PHEQNACWSA-N 0 0 454.542 2.514 40 0 JFABRN CCOC(=O)c1sc(NC(=O)CSc2ncc(C(=O)OCC)c(N)n2)c(C(=O)OCC)c1C ZINC000024456081 556131528 /nfs/dbraw/zinc/13/15/28/556131528.db2.gz UJKDUYKNTCLPNP-UHFFFAOYSA-N 0 0 496.567 2.690 40 0 JFABRN CC(C)(C)C(=O)COC(=O)[C@H](CCS(C)(=O)=O)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000024522450 556133374 /nfs/dbraw/zinc/13/33/74/556133374.db2.gz LOADEUFMAIHRKP-AWEZNQCLSA-N 0 0 478.350 2.551 40 0 JFABRN CCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000016678300 556150422 /nfs/dbraw/zinc/15/04/22/556150422.db2.gz WTZUUBTWXBPUDO-UHFFFAOYSA-N 0 0 484.391 2.948 40 0 JFABRN CCN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000016678344 556150667 /nfs/dbraw/zinc/15/06/67/556150667.db2.gz RRGLMZPFTZPFLM-UHFFFAOYSA-N 0 0 466.401 2.809 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013024561 556214608 /nfs/dbraw/zinc/21/46/08/556214608.db2.gz UKPSSLYKDBXDFT-HSZRJFAPSA-N 0 0 467.570 2.961 40 0 JFABRN C[C@@H]1CN(C(=O)/C=C/C(=O)OC2CCCCC2)CCN1C(=O)/C=C/C(=O)OC1CCCCC1 ZINC000017130052 556220878 /nfs/dbraw/zinc/22/08/78/556220878.db2.gz IXYSMOKQINGOAW-YNIAAOTNSA-N 0 0 460.571 2.910 40 0 JFABRN [NH3+]CCCC[C@@H](C(=O)NCC(=O)[O-])N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000017127836 556220996 /nfs/dbraw/zinc/22/09/96/556220996.db2.gz QTEKROQPHXDFBL-FQEVSTJZSA-N 0 0 471.510 2.660 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000025966270 556239589 /nfs/dbraw/zinc/23/95/89/556239589.db2.gz UXYGVHITNHHICT-HNNXBMFYSA-N 0 0 471.501 2.730 40 0 JFABRN CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1OC ZINC000026112059 556243540 /nfs/dbraw/zinc/24/35/40/556243540.db2.gz CUTLMCOSKQKUKM-UHFFFAOYSA-N 0 0 451.976 2.918 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1OC ZINC000026117119 556247023 /nfs/dbraw/zinc/24/70/23/556247023.db2.gz DCAMZARMHHSWPO-UHFFFAOYSA-N 0 0 452.554 2.699 40 0 JFABRN C[C@H]1[C@H](NC(=O)CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)CCC[C@@H]1C ZINC000013057001 556252056 /nfs/dbraw/zinc/25/20/56/556252056.db2.gz SRAOSMPBFFMRKS-FRQCXROJSA-N 0 0 472.449 2.696 40 0 JFABRN CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064939 556263273 /nfs/dbraw/zinc/26/32/73/556263273.db2.gz YTMFZPDRPPWYBJ-UGKGYDQZSA-N 0 0 454.575 2.646 40 0 JFABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OCC ZINC000017969920 556273583 /nfs/dbraw/zinc/27/35/83/556273583.db2.gz QTXCHXGOMAELKB-KRWDZBQOSA-N 0 0 462.568 2.996 40 0 JFABRN CN(C)N1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2CC2=C3C(=O)N(c4ccccc4)C(=O)[C@@H]3CCC21 ZINC000018057624 556281029 /nfs/dbraw/zinc/28/10/29/556281029.db2.gz NFCKRYWZLMFVMG-SQMBMXPBSA-N 0 0 470.529 2.581 40 0 JFABRN Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(S(=O)(=O)NC5CC5)cc4)C3)n2)o1 ZINC000013083997 556281439 /nfs/dbraw/zinc/28/14/39/556281439.db2.gz KYQYIJXZWTVBPM-HNNXBMFYSA-N 0 0 492.579 2.647 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@@H](Cc3ccc(F)cc3)NC(C)=O)CC2)c1 ZINC000013084812 556282234 /nfs/dbraw/zinc/28/22/34/556282234.db2.gz ZTMLRHRDQNNYSA-JOCHJYFZSA-N 0 0 456.518 2.694 40 0 JFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)c1 ZINC000013085128 556283230 /nfs/dbraw/zinc/28/32/30/556283230.db2.gz IORKFMPHWWVWKJ-QHCPKHFHSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000013085336 556283787 /nfs/dbraw/zinc/28/37/87/556283787.db2.gz QZWVFSXKDPMTGD-QFIPXVFZSA-N 0 0 487.984 2.825 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3OC)CC2)c(OC)c1 ZINC000013085351 556283825 /nfs/dbraw/zinc/28/38/25/556283825.db2.gz OTQRTFBEHPDGHR-JOCHJYFZSA-N 0 0 498.580 2.572 40 0 JFABRN COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3F)CC2)cc(OC)c1 ZINC000013085520 556284351 /nfs/dbraw/zinc/28/43/51/556284351.db2.gz KBDGOSAVPYWULT-HSZRJFAPSA-N 0 0 486.544 2.703 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)cc1 ZINC000027973834 556310663 /nfs/dbraw/zinc/31/06/63/556310663.db2.gz ZWHXBABTCRNSFZ-UHFFFAOYSA-N 0 0 471.579 2.507 40 0 JFABRN COc1cc(OC)c(C2=NO[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1Cl ZINC000018210320 556310841 /nfs/dbraw/zinc/31/08/41/556310841.db2.gz JZGFZMIWTZALCU-HSZRJFAPSA-N 0 0 487.940 2.923 40 0 JFABRN O=C(COc1ccc(I)cc1)NCc1ccc(CN2CCOCC2)cc1 ZINC000018217181 556311983 /nfs/dbraw/zinc/31/19/83/556311983.db2.gz UKHMLLDTCZUSEK-UHFFFAOYSA-N 0 0 466.319 2.819 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028197453 556317275 /nfs/dbraw/zinc/31/72/75/556317275.db2.gz QBPMFKCBCOGMDY-UHFFFAOYSA-N 0 0 479.986 2.832 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 ZINC000028207770 556318323 /nfs/dbraw/zinc/31/83/23/556318323.db2.gz JOKIXTGJJSVOGM-UHFFFAOYSA-N 0 0 463.575 2.892 40 0 JFABRN COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cc(Cl)ccc2OC)cc1C ZINC000028209996 556321023 /nfs/dbraw/zinc/32/10/23/556321023.db2.gz NLUZQGNUFNKKRX-MRXNPFEDSA-N 0 0 452.916 2.984 40 0 JFABRN CCOC(=O)[C@@H]1CCCN(C(=O)NCCCCCCNC(=O)N2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000019075036 556327657 /nfs/dbraw/zinc/32/76/57/556327657.db2.gz ZLYPFDNHZCTKAM-WOJBJXKFSA-N 0 0 482.622 2.516 40 0 JFABRN CC(C)C[C@@H](C(=O)OCC(=O)Nc1cccc2nsnc21)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000019078629 556329664 /nfs/dbraw/zinc/32/96/64/556329664.db2.gz FENWIXCPEGLSKT-ZQIUZPCESA-N 0 0 456.524 2.539 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](CC(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000019211195 556334241 /nfs/dbraw/zinc/33/42/41/556334241.db2.gz WOKHSXFBICVUEL-FQEVSTJZSA-N 0 0 486.598 2.551 40 0 JFABRN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000028493770 556334458 /nfs/dbraw/zinc/33/44/58/556334458.db2.gz AHXVAMBJIKXOEX-UHFFFAOYSA-N 0 0 483.512 2.689 40 0 JFABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4)CC3)cc2c1 ZINC000019220862 556335040 /nfs/dbraw/zinc/33/50/40/556335040.db2.gz NSGROZAMKTUHLH-RDGATRHJSA-N 0 0 485.592 2.914 40 0 JFABRN CCCCN1C=N[C@@H]2[C@@H]1C(OCC(=O)Nc1sccc1C(N)=O)=NC(=O)N2Cc1ccccc1 ZINC000028616825 556337254 /nfs/dbraw/zinc/33/72/54/556337254.db2.gz YIXVHSGUTDSSFR-QUCCMNQESA-N 0 0 482.566 2.675 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)NCc3ccccc3)cc2c1 ZINC000019519930 556350732 /nfs/dbraw/zinc/35/07/32/556350732.db2.gz IFHUJLDAMPSVGN-UHFFFAOYSA-N 0 0 464.566 2.971 40 0 JFABRN CCOC(=O)[C@]1(C)N[C@@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000019529506 556352385 /nfs/dbraw/zinc/35/23/85/556352385.db2.gz DSWHZCCDFZIMPG-IMIIHFCZSA-N 0 0 480.517 2.678 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000019553447 556353664 /nfs/dbraw/zinc/35/36/64/556353664.db2.gz XLBJPZXKSGOWDV-DHIUTWEWSA-N 0 0 452.534 2.911 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000019568171 556354973 /nfs/dbraw/zinc/35/49/73/556354973.db2.gz HOWDXGBVUQNRPY-XMMPIXPASA-N 0 0 473.581 2.689 40 0 JFABRN COc1ccc(CCn2nnnc2[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1OC ZINC000019589862 556355740 /nfs/dbraw/zinc/35/57/40/556355740.db2.gz SXARXBQACQASGW-JOCHJYFZSA-N 0 0 456.978 2.923 40 0 JFABRN COCCn1nnnc1[C@@H](c1ccc(OC)c(OC)c1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000019593926 556356137 /nfs/dbraw/zinc/35/61/37/556356137.db2.gz PQHZGVWBSPIHSE-JOCHJYFZSA-N 0 0 495.609 2.858 40 0 JFABRN CC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)N(c1ccccc1)S(C)(=O)=O ZINC000030849051 556376604 /nfs/dbraw/zinc/37/66/04/556376604.db2.gz UHQDPTPMTJWYNE-IBGZPJMESA-N 0 0 483.612 2.565 40 0 JFABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000030852112 556377835 /nfs/dbraw/zinc/37/78/35/556377835.db2.gz VBJWHGWFSLUTHZ-LJQANCHMSA-N 0 0 452.504 2.651 40 0 JFABRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(C)(=O)=O ZINC000030859056 556380959 /nfs/dbraw/zinc/38/09/59/556380959.db2.gz MHPHDXQTTCMJNM-UHFFFAOYSA-N 0 0 462.959 2.925 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c(Cl)c1 ZINC000030866351 556383488 /nfs/dbraw/zinc/38/34/88/556383488.db2.gz JQTFLXOZGURHGX-UHFFFAOYSA-N 0 0 470.931 2.939 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(O)c(OC)c1 ZINC000019818506 556385961 /nfs/dbraw/zinc/38/59/61/556385961.db2.gz HVQFNSYVGIUHCF-RTWAWAEBSA-N 0 0 453.495 2.902 40 0 JFABRN CC1=C[C@@H](CNS(=O)(=O)c2ccc(F)cc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN1CCOCC1 ZINC000030879940 556385963 /nfs/dbraw/zinc/38/59/63/556385963.db2.gz NXQBAPABKJJWQP-HFMPRLQTSA-N 0 0 495.661 2.797 40 0 biogenic,in-vitro JFABRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(OC)c1 ZINC000019818504 556386100 /nfs/dbraw/zinc/38/61/00/556386100.db2.gz HVQFNSYVGIUHCF-NHCUHLMSSA-N 0 0 453.495 2.902 40 0 JFABRN O=C(C[C@H]1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019819495 556388152 /nfs/dbraw/zinc/38/81/52/556388152.db2.gz JGISAEUCTZXOLF-IBGZPJMESA-N 0 0 458.478 2.968 40 0 JFABRN CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCCOC)cc2c1 ZINC000019823015 556392675 /nfs/dbraw/zinc/39/26/75/556392675.db2.gz UYQBTVSDBMMTEK-UHFFFAOYSA-N 0 0 460.644 2.526 40 0 JFABRN COCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000019824354 556395360 /nfs/dbraw/zinc/39/53/60/556395360.db2.gz GJSQZAJRZXTJSJ-UHFFFAOYSA-N 0 0 460.644 2.580 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000019824538 556395670 /nfs/dbraw/zinc/39/56/70/556395670.db2.gz ZVQIPXZJPPZWPL-QFIPXVFZSA-N 0 0 488.654 2.505 40 0 JFABRN Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000019826439 556397004 /nfs/dbraw/zinc/39/70/04/556397004.db2.gz OZUPEJOCVUQPRO-ZEQKJWHPSA-N 0 0 499.619 2.909 40 0 JFABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)cc2c1 ZINC000019826220 556397074 /nfs/dbraw/zinc/39/70/74/556397074.db2.gz BFZUGBLLPBMQDX-OZXSUGGESA-N 0 0 499.619 2.909 40 0 JFABRN O=S(=O)(NC[C@@]1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000107430259 560044930 /nfs/dbraw/zinc/04/49/30/560044930.db2.gz DRZTWWDSDLPKCC-ALXJQNPVSA-N 0 0 480.892 2.613 40 0 biogenic,in-vitro JFABRN COc1ccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 ZINC000008582479 562939674 /nfs/dbraw/zinc/93/96/74/562939674.db2.gz SWBVZEZOKMCZLC-UHFFFAOYSA-N 0 0 495.628 2.753 40 0 JFABRN COCCn1nnnc1[C@@H](C(C)C)N(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000008582538 562939715 /nfs/dbraw/zinc/93/97/15/562939715.db2.gz LXVWWXRAPBLPGH-HSZRJFAPSA-N 0 0 477.569 2.964 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000008582546 562939751 /nfs/dbraw/zinc/93/97/51/562939751.db2.gz RIYPLBSWURLYAK-UHFFFAOYSA-N 0 0 490.564 2.906 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(C[C@H]2CCCO2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)no1 ZINC000008673020 562949982 /nfs/dbraw/zinc/94/99/82/562949982.db2.gz VZSODILOJVVEDC-HYBUGGRVSA-N 0 0 483.569 2.904 40 0 JFABRN Cc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3c4nsnc4ccc3C)cc2c1 ZINC000008674178 562950489 /nfs/dbraw/zinc/95/04/89/562950489.db2.gz WDSDXLWRPXNNON-UHFFFAOYSA-N 0 0 458.565 2.723 40 0 JFABRN C[C@@]12CCC(=O)N1[C@H](C(=O)NCCN1C(=O)S/C(=C\c3ccccc3Cl)C1=O)CS2 ZINC000032990985 563110082 /nfs/dbraw/zinc/11/00/82/563110082.db2.gz XZZGSDICZHXPAY-QLMIMSMPSA-N 0 0 465.984 2.947 40 0 JFABRN COc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1 ZINC000038256220 563133562 /nfs/dbraw/zinc/13/35/62/563133562.db2.gz WPDCHTSXOPUOII-UHFFFAOYSA-N 0 0 479.559 2.724 40 0 investigational JFABRN CCOC(=O)c1cn(CC)c2cc(N3CCN(Cc4cnn(CC)c4)CC3)c(F)cc2c1=O ZINC000054976627 569590576 /nfs/dbraw/zinc/59/05/76/569590576.db2.gz SKCHWJJADGXJMP-UHFFFAOYSA-N 0 0 455.534 2.876 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000059418407 569603281 /nfs/dbraw/zinc/60/32/81/569603281.db2.gz LNSQABISFXCVDO-VZIOXZNFSA-N 0 0 494.569 2.824 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccccc1 ZINC000059418579 569603402 /nfs/dbraw/zinc/60/34/02/569603402.db2.gz JBOYEPPWMKYPDY-PZHBDVNGSA-N 0 0 462.527 2.570 40 0 JFABRN COc1ccccc1NC(=O)Cn1nc2n(c1=O)c1ccccc1c(=O)n2Cc1ccccc1 ZINC000064580732 569620608 /nfs/dbraw/zinc/62/06/08/569620608.db2.gz ZPMCLFSRUNMKFE-UHFFFAOYSA-N 0 0 455.474 2.507 40 0 JFABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)c(Cl)c1)c1ccccc1 ZINC000033386126 569625534 /nfs/dbraw/zinc/62/55/34/569625534.db2.gz LOGGSZJUYIMJKZ-MRXNPFEDSA-N 0 0 451.976 2.532 40 0 JFABRN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033397898 569625701 /nfs/dbraw/zinc/62/57/01/569625701.db2.gz YRRKGEJDIAXGHL-SFHVURJKSA-N 0 0 473.530 2.640 40 0 JFABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000033613625 569628788 /nfs/dbraw/zinc/62/87/88/569628788.db2.gz BZMYUODBWJLDEX-RQZCQDPDSA-N 0 0 470.279 2.965 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC#N)c(Br)c3)C2=O)o1 ZINC000033676286 569630543 /nfs/dbraw/zinc/63/05/43/569630543.db2.gz KQJZAETXORYHSV-ZROIWOOFSA-N 0 0 460.240 2.824 40 0 JFABRN COc1ccc(CC(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(OC)cc3)n2C)cc1 ZINC000033760749 569633855 /nfs/dbraw/zinc/63/38/55/569633855.db2.gz LPOJLEILNQEVMY-HNNXBMFYSA-N 0 0 469.567 2.983 40 0 JFABRN COc1cc(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc(OC)c1OC ZINC000033821730 569635574 /nfs/dbraw/zinc/63/55/74/569635574.db2.gz VVTHMNLMKPXMCH-RWIMWJNXSA-N 0 0 497.935 2.797 40 0 JFABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)cc1 ZINC000033850740 569636338 /nfs/dbraw/zinc/63/63/38/569636338.db2.gz LXVHDRJHICHHSO-SFHVURJKSA-N 0 0 489.985 2.980 40 0 JFABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(CC(N)=O)c4ccccc34)C2=O)cc1 ZINC000033881672 569636863 /nfs/dbraw/zinc/63/68/63/569636863.db2.gz PUCPUTMRAJZWIC-GRSHGNNSSA-N 0 0 464.503 2.810 40 0 JFABRN CCC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937373 569639030 /nfs/dbraw/zinc/63/90/30/569639030.db2.gz ROIVOHNGUITHMN-NHCUHLMSSA-N 0 0 454.575 2.646 40 0 JFABRN CC(C)(C)NC(=O)[C@H]1N(Cc2cccnc2)C(=O)[C@@H]2[C@H](C(=O)Nc3ccccc3F)[C@@]3(C)C=C[C@]21O3 ZINC000033939888 569639253 /nfs/dbraw/zinc/63/92/53/569639253.db2.gz CHVLMVOAOQLBBG-MGHDIQEJSA-N 0 0 492.551 2.815 40 0 JFABRN COc1cccc(C(=O)Cn2nc3n(c2=O)c2ccccc2c(=O)n3Cc2ccc(F)cc2)c1 ZINC000064860617 569639518 /nfs/dbraw/zinc/63/95/18/569639518.db2.gz HMVGYPDPACPKQC-UHFFFAOYSA-N 0 0 458.449 2.890 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2cc(C(C)C)ccc2C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000034738099 569654674 /nfs/dbraw/zinc/65/46/74/569654674.db2.gz XPSRJIDOWVLUTQ-LSDVVMKASA-N 0 0 480.510 2.580 40 0 JFABRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OC)c1OC(C)=O ZINC000034761225 569657806 /nfs/dbraw/zinc/65/78/06/569657806.db2.gz YVEMPSCPTPIZLT-YVLHZVERSA-N 0 0 454.435 2.822 40 0 JFABRN CC[C@@H](C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000034896203 569669457 /nfs/dbraw/zinc/66/94/57/569669457.db2.gz GCGXDDSCSZNIEQ-LNZPYGSCSA-N 0 0 477.627 2.565 40 0 JFABRN CC(=O)[C@H]1C[C@@H](CC(=O)N[C@H](O)C(Br)(Br)Br)C1(C)C ZINC000035181694 569677598 /nfs/dbraw/zinc/67/75/98/569677598.db2.gz ACVOQMCJYKGONO-QXFUBDJGSA-N 0 0 463.992 2.901 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3OCC#N)C2=O)o1 ZINC000035201237 569678140 /nfs/dbraw/zinc/67/81/40/569678140.db2.gz SYMTUJINNKRNOQ-RIYZIHGNSA-N 0 0 490.266 2.833 40 0 JFABRN Cc1cc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN([C@H](C(=O)NC5CCCC5)c5ccc(F)cc5)C(=O)[C@H]24)O3)no1 ZINC000035290048 569679636 /nfs/dbraw/zinc/67/96/36/569679636.db2.gz YGGQLDKANGSLLH-QJMNDWEISA-N 0 0 494.523 2.643 40 0 JFABRN O=C(CN1C(=O)COc2ccccc21)N(CCCN1CCOCC1)Cc1ccccc1Cl ZINC000035313830 569680390 /nfs/dbraw/zinc/68/03/90/569680390.db2.gz IQKCACOJRIAJAW-UHFFFAOYSA-N 0 0 457.958 2.817 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@H]3c4cc(OC)c(OC)cc4CCN3S(C)(=O)=O)cc2c1 ZINC000035314702 569680424 /nfs/dbraw/zinc/68/04/24/569680424.db2.gz JVWYUBIZNPCKQQ-JOCHJYFZSA-N 0 0 458.536 2.851 40 0 JFABRN CC(=O)N[C@H]1[C@@H](OC(=N)C(Cl)(Cl)Cl)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]1OC(C)=O ZINC000077269535 569705188 /nfs/dbraw/zinc/70/51/88/569705188.db2.gz BITIXZADLMPSAR-XJTKPRQNSA-N 0 0 495.743 2.626 40 0 in-vitro JFABRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000035767878 569710094 /nfs/dbraw/zinc/71/00/94/569710094.db2.gz ZUVXXZLBFXDALY-ALFLXDJESA-N 0 0 452.555 2.878 40 0 JFABRN CC1(C)O[C@@H]2[C@@H](O1)[C@H](COC(=O)c1ccccc1)O[C@@H]2n1ccc(NC(=O)c2ccccc2)nc1=O ZINC000035805246 569711388 /nfs/dbraw/zinc/71/13/88/569711388.db2.gz TZLDOHYHINLXCG-DXKRWKNPSA-N 0 0 491.500 2.770 40 0 JFABRN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035844047 569714698 /nfs/dbraw/zinc/71/46/98/569714698.db2.gz ZSSMDIFBPOICDY-FFTAAJLNSA-N 0 0 479.920 2.851 40 0 JFABRN COc1cccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)c4ccoc4C)CC3)O2)c1 ZINC000096036651 569732232 /nfs/dbraw/zinc/73/22/32/569732232.db2.gz DJUONRWIUFRUPV-NRFANRHFSA-N 0 0 464.522 2.640 40 0 JFABRN CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4cccc(F)c4)cc32)n1 ZINC000096156478 569736929 /nfs/dbraw/zinc/73/69/29/569736929.db2.gz HFQIKWMTHLTKNC-IBGZPJMESA-N 0 0 457.531 2.840 40 0 JFABRN COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(Br)cc3)c(=O)n12 ZINC000035982224 569742829 /nfs/dbraw/zinc/74/28/29/569742829.db2.gz DZKQCGJUAUBQOZ-UNONDDSJSA-N 0 0 485.359 2.622 40 0 JFABRN O=C1Nc2c(cccc2C(F)(F)F)[C@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000100210178 569755415 /nfs/dbraw/zinc/75/54/15/569755415.db2.gz HYBOVSJRJVUKAN-SWDAYOAKSA-N 0 0 485.418 2.865 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000036329015 569763467 /nfs/dbraw/zinc/76/34/67/569763467.db2.gz XKFFIGHJMSHNQV-UHFFFAOYSA-N 0 0 485.606 2.856 40 0 JFABRN CN1CCN(S(=O)(=O)c2ccc(-c3noc(C4CCN(C(=O)c5ccccc5)CC4)n3)cc2)CC1 ZINC000036351134 569771145 /nfs/dbraw/zinc/77/11/45/569771145.db2.gz YADLEJBCPYQYDG-UHFFFAOYSA-N 0 0 495.605 2.693 40 0 JFABRN COc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)n(C)c21 ZINC000100846706 569772251 /nfs/dbraw/zinc/77/22/51/569772251.db2.gz XQKJTDBGZLMOSF-IWTQRCOGSA-N 0 0 475.592 2.787 40 0 JFABRN COc1cc([C@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OCC(C)C)ccc1O ZINC000036368165 569773141 /nfs/dbraw/zinc/77/31/41/569773141.db2.gz FJZKABHJGTZDRK-JCUDRXCFSA-N 0 0 450.528 2.839 40 0 JFABRN CCOC(=O)[C@@H](C)Oc1c(Br)cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC ZINC000036612603 569777804 /nfs/dbraw/zinc/77/78/04/569777804.db2.gz DBWABUJYABVJDI-BMIGLBTASA-N 0 0 471.304 2.589 40 0 JFABRN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 ZINC000101344252 569793869 /nfs/dbraw/zinc/79/38/69/569793869.db2.gz VHIYIIXDRDRSKP-KCOOYEKVSA-N 0 0 465.893 2.697 40 0 JFABRN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000101464776 569798592 /nfs/dbraw/zinc/79/85/92/569798592.db2.gz IOEJDERFUIVQMF-HDICACEKSA-N 0 0 461.559 2.974 40 0 JFABRN CC(C)CNC(=O)[C@H](C)NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101467655 569798772 /nfs/dbraw/zinc/79/87/72/569798772.db2.gz OABYUSTWFQNYPD-YESZJQIVSA-N 0 0 458.024 2.702 40 0 JFABRN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000101476523 569798955 /nfs/dbraw/zinc/79/89/55/569798955.db2.gz WUTBWWIQBOZANP-CALCHBBNSA-N 0 0 456.008 2.553 40 0 JFABRN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000101489285 569799649 /nfs/dbraw/zinc/79/96/49/569799649.db2.gz MDEYCBFOAKSSTC-KDURUIRLSA-N 0 0 473.595 2.843 40 0 JFABRN CCOc1ccc(NC(=O)COc2ccc([C@H]3CC(=O)N=C4NC=NN43)cc2OCC)cc1 ZINC000038188031 569800445 /nfs/dbraw/zinc/80/04/45/569800445.db2.gz ZJUILCXRUMMTMI-GOSISDBHSA-N 0 0 451.483 2.677 40 0 JFABRN COc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(Br)cc1F ZINC000038198246 569800694 /nfs/dbraw/zinc/80/06/94/569800694.db2.gz LCHIYMRWDYFUMD-HNNXBMFYSA-N 0 0 490.289 2.790 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(Br)cc2[C@H]2CC(=O)N=C3NC=NN32)cc1 ZINC000038201230 569800814 /nfs/dbraw/zinc/80/08/14/569800814.db2.gz JKDRREYSVUQTIP-MRXNPFEDSA-N 0 0 456.300 2.951 40 0 JFABRN CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H](CO)NC(=O)c1cccc(Cl)c1 ZINC000038536827 569802565 /nfs/dbraw/zinc/80/25/65/569802565.db2.gz XVBDQKSFQLYBJV-QGZVFWFLSA-N 0 0 466.007 2.956 40 0 JFABRN CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(CC(=O)NC[C@H]3CCCO3)c21 ZINC000039556295 569810287 /nfs/dbraw/zinc/81/02/87/569810287.db2.gz LGRSJVOZYBLFJE-BDBXIWDTSA-N 0 0 454.596 2.919 40 0 JFABRN CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3CC(=O)OC)cn(CC(=O)N3CCCCC3)c21 ZINC000039556439 569810498 /nfs/dbraw/zinc/81/04/98/569810498.db2.gz JZTGOMHRSBUBIN-MOSHPQCFSA-N 0 0 482.606 2.789 40 0 JFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(OC)ccc1OC)CC(=O)N2 ZINC000040390613 569825195 /nfs/dbraw/zinc/82/51/95/569825195.db2.gz CXCITGVSQUWLOC-ZFWWWQNUSA-N 0 0 455.515 2.621 40 0 JFABRN C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N=c1sccn1Cc1ccccc1Cl)CS2 ZINC000103070857 569832475 /nfs/dbraw/zinc/83/24/75/569832475.db2.gz VOVRVDLIVWZDBU-MEKUREBOSA-N 0 0 465.984 2.676 40 0 JFABRN Cc1cc(C)n2nc(C(=O)OCC(=O)/N=c3/sccn3Cc3ccccc3Cl)nc2n1 ZINC000103079219 569832548 /nfs/dbraw/zinc/83/25/48/569832548.db2.gz FOKVXHZAXBFQAF-BSYVCWPDSA-N 0 0 456.915 2.590 40 0 JFABRN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000103520668 569835771 /nfs/dbraw/zinc/83/57/71/569835771.db2.gz VWYSPLKAONQQSG-BURNTYAHSA-N 0 0 459.502 2.967 40 0 JFABRN C[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857186 569839347 /nfs/dbraw/zinc/83/93/47/569839347.db2.gz BICHILFMOTZUJG-QVKFZJNVSA-N 0 0 494.635 2.792 40 0 JFABRN COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1OC ZINC000047157209 569845405 /nfs/dbraw/zinc/84/54/05/569845405.db2.gz GWMVOMUEGSSXLA-UHFFFAOYSA-N 0 0 462.568 2.860 40 0 JFABRN O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N=c1sccn1Cc1ccccc1Cl ZINC000104402285 569845713 /nfs/dbraw/zinc/84/57/13/569845713.db2.gz GLTOSTQYDYFLMI-UQAGGNFHSA-N 0 0 489.981 2.787 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3O)C2=O)o1 ZINC000105691696 569853311 /nfs/dbraw/zinc/85/33/11/569853311.db2.gz ZOTVMLJATFAQOY-SDQBBNPISA-N 0 0 451.229 2.636 40 0 JFABRN COC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O ZINC000106744642 569855424 /nfs/dbraw/zinc/85/54/24/569855424.db2.gz VGSQUOPOWJGCNG-WQRHYEAKSA-N 0 0 456.476 2.922 40 0 JFABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000107969614 569858165 /nfs/dbraw/zinc/85/81/65/569858165.db2.gz GIVHYEFTXVPALZ-NRFANRHFSA-N 0 0 473.551 2.701 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000108157918 569858819 /nfs/dbraw/zinc/85/88/19/569858819.db2.gz ZJYPYGDIFMBGGD-UHFFFAOYSA-N 0 0 488.606 2.996 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000113935618 569862362 /nfs/dbraw/zinc/86/23/62/569862362.db2.gz KOJKNEGZSYOBIA-UHFFFAOYSA-N 0 0 466.556 2.831 40 0 JFABRN COC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@H]3CC[C@]12C ZINC000118923329 569863640 /nfs/dbraw/zinc/86/36/40/569863640.db2.gz LGILGNKVRXMEMW-ZSVPYBGVSA-N 0 0 466.571 2.523 40 0 JFABRN CSCC[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(=O)Nc1cccc(F)c1 ZINC000135648824 569864417 /nfs/dbraw/zinc/86/44/17/569864417.db2.gz HTMXVOWNEBNPTR-FCEWJHQRSA-N 0 0 458.559 2.877 40 0 JFABRN CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3OCC)CC2=O)cc1 ZINC000138582448 569865984 /nfs/dbraw/zinc/86/59/84/569865984.db2.gz ZFVWFTYBERXYAX-QGZVFWFLSA-N 0 0 454.479 2.797 40 0 JFABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2c(OC)cccc2OC)C1 ZINC000138645059 569866121 /nfs/dbraw/zinc/86/61/21/569866121.db2.gz GFUSKKGFJXZSLR-GOSISDBHSA-N 0 0 497.548 2.504 40 0 JFABRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)CC1=O ZINC000138700078 569866226 /nfs/dbraw/zinc/86/62/26/569866226.db2.gz SVTGINPYYLEQJE-AWEZNQCLSA-N 0 0 459.886 2.842 40 0 JFABRN C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC000138711897 569866308 /nfs/dbraw/zinc/86/63/08/569866308.db2.gz SWRBLJYPKRDBDT-CJNGLKHVSA-N 0 0 478.332 2.907 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 ZINC000138974419 569866744 /nfs/dbraw/zinc/86/67/44/569866744.db2.gz BYBNSCNWZAIJJX-QGZVFWFLSA-N 0 0 484.505 2.805 40 0 JFABRN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC(=O)N3)C1 ZINC000139078665 569866969 /nfs/dbraw/zinc/86/69/69/569866969.db2.gz IHEWOQODZMQRBP-BXUZGUMPSA-N 0 0 465.432 2.969 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(OC)c3)CC2=O)cc1 ZINC000139088061 569867054 /nfs/dbraw/zinc/86/70/54/569867054.db2.gz ONRYWPWKHJBKCM-KRWDZBQOSA-N 0 0 454.479 2.797 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2cccc(Cl)c2C)cc1 ZINC000143817253 569867677 /nfs/dbraw/zinc/86/76/77/569867677.db2.gz SLWFEXZLEJQOGH-UHFFFAOYSA-N 0 0 463.987 2.876 40 0 JFABRN O=C(COc1ccc(Cl)cc1Cl)NC[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000169683662 569871121 /nfs/dbraw/zinc/87/11/21/569871121.db2.gz FELFTSHHDGBNSM-WWOUZDQESA-N 0 0 487.339 2.997 40 0 JFABRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)OC)C1=O ZINC000205693599 569874146 /nfs/dbraw/zinc/87/41/46/569874146.db2.gz KPYRCNFCUSDSEF-NTUHNPAUSA-N 0 0 458.286 2.600 40 0 JFABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCC(=O)OC ZINC000205801531 569874389 /nfs/dbraw/zinc/87/43/89/569874389.db2.gz YBGNBYIGCFHZQV-LDADJPATSA-N 0 0 462.524 2.686 40 0 JFABRN O=C(COc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O)Nc1ccccc1 ZINC000214673654 569876885 /nfs/dbraw/zinc/87/68/85/569876885.db2.gz IQUUEGYJEAANAJ-XSFVSMFZSA-N 0 0 481.530 2.599 40 0 JFABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Br ZINC000214673928 569876892 /nfs/dbraw/zinc/87/68/92/569876892.db2.gz SAXWRIQRHDHZNB-XNTDXEJSSA-N 0 0 455.330 2.743 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1I ZINC000216284558 569878157 /nfs/dbraw/zinc/87/81/57/569878157.db2.gz GKVFSETVCUACBN-UHFFFAOYSA-N 0 0 469.304 2.964 40 0 JFABRN O=C(c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218006967 569882389 /nfs/dbraw/zinc/88/23/89/569882389.db2.gz PAETWYOXUQZEOS-DOTOQJQBSA-N 0 0 461.971 2.691 40 0 JFABRN CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218167016 569882966 /nfs/dbraw/zinc/88/29/66/569882966.db2.gz XNFRXDBJEXUFMX-VQTJNVASSA-N 0 0 460.504 2.776 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222392936 569884077 /nfs/dbraw/zinc/88/40/77/569884077.db2.gz GRQDMXGCTUBTJW-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000222413361 569884173 /nfs/dbraw/zinc/88/41/73/569884173.db2.gz IDSCXOFMKHKZHS-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222461789 569884423 /nfs/dbraw/zinc/88/44/23/569884423.db2.gz DSGNFFSCYZRPSG-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222461485 569884456 /nfs/dbraw/zinc/88/44/56/569884456.db2.gz BULMJQGVFOQNLC-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000222459532 569884464 /nfs/dbraw/zinc/88/44/64/569884464.db2.gz BZGPXLJIMBBCEP-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222474238 569884557 /nfs/dbraw/zinc/88/45/57/569884557.db2.gz SGLHZROVJFHANF-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000222503854 569884963 /nfs/dbraw/zinc/88/49/63/569884963.db2.gz ALVREWJTMBCFJE-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000222508946 569885039 /nfs/dbraw/zinc/88/50/39/569885039.db2.gz LSOPPHVKHCNMII-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000222508358 569885062 /nfs/dbraw/zinc/88/50/62/569885062.db2.gz BDAWJEAVPJAXGX-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000222551596 569885649 /nfs/dbraw/zinc/88/56/49/569885649.db2.gz UNDDIFRRSQJHMN-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3F)C2)cc1OC ZINC000222570912 569886036 /nfs/dbraw/zinc/88/60/36/569886036.db2.gz FUAODKXEMDGIKJ-QGZVFWFLSA-N 0 0 450.532 2.902 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000222577560 569886175 /nfs/dbraw/zinc/88/61/75/569886175.db2.gz AIMOSRBONDJTQQ-QGZVFWFLSA-N 0 0 466.003 2.904 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000222603443 569886761 /nfs/dbraw/zinc/88/67/61/569886761.db2.gz BUQOBLKEZJNWKZ-AWEZNQCLSA-N 0 0 489.491 2.774 40 0 JFABRN COC(=O)c1cn(C(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c2ccccc12 ZINC000222604255 569886823 /nfs/dbraw/zinc/88/68/23/569886823.db2.gz WBHMPLMWUWPHQW-CQSZACIVSA-N 0 0 458.492 2.694 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222604389 569886831 /nfs/dbraw/zinc/88/68/31/569886831.db2.gz ROXOAXOXSXFDDI-OAHLLOKOSA-N 0 0 469.966 2.717 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222612533 569886996 /nfs/dbraw/zinc/88/69/96/569886996.db2.gz KIZQUWREYTVXAY-CYBMUJFWSA-N 0 0 473.929 2.548 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000222624923 569887189 /nfs/dbraw/zinc/88/71/89/569887189.db2.gz WKCMBTINJBXKRE-KRWDZBQOSA-N 0 0 478.542 2.979 40 0 JFABRN CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 ZINC000222625350 569887220 /nfs/dbraw/zinc/88/72/20/569887220.db2.gz NXWHKDHZOUVJRT-QGZVFWFLSA-N 0 0 466.556 2.609 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222649394 569887732 /nfs/dbraw/zinc/88/77/32/569887732.db2.gz PLLHLMFSOMPPKX-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000222666867 569888013 /nfs/dbraw/zinc/88/80/13/569888013.db2.gz TZLSOFPWEFPPNG-UHFFFAOYSA-N 0 0 459.568 2.557 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222671620 569888126 /nfs/dbraw/zinc/88/81/26/569888126.db2.gz YVYDMNYYMRYVAJ-XYPHTWIQSA-N 0 0 466.365 2.798 40 0 JFABRN Cc1ccccc1CN(C(=O)CCN1C(=O)c2ccccc2S1(=O)=O)[C@@H](C)C(=O)NC(C)(C)C ZINC000222705609 569889129 /nfs/dbraw/zinc/88/91/29/569889129.db2.gz HFFZOVPZYCUNAU-SFHVURJKSA-N 0 0 485.606 2.862 40 0 JFABRN C[C@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222707508 569889158 /nfs/dbraw/zinc/88/91/58/569889158.db2.gz WOWQLGQGKWTZQB-OAQYLSRUSA-N 0 0 494.617 2.577 40 0 JFABRN C[C@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222710546 569889284 /nfs/dbraw/zinc/88/92/84/569889284.db2.gz UYOJTURLNAAKBJ-HNNXBMFYSA-N 0 0 495.395 2.827 40 0 JFABRN COc1cc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(OC)cc1Cl ZINC000222723508 569889563 /nfs/dbraw/zinc/88/95/63/569889563.db2.gz AGWPSUZGWMQQAI-ZDUSSCGKSA-N 0 0 484.958 2.772 40 0 JFABRN Cc1cccc(N(CCCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)S(C)(=O)=O)c1C ZINC000222734013 569889875 /nfs/dbraw/zinc/88/98/75/569889875.db2.gz MAKXAESBAGYQBL-UHFFFAOYSA-N 0 0 493.651 2.689 40 0 JFABRN Cc1cccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222738545 569890002 /nfs/dbraw/zinc/89/00/02/569890002.db2.gz CEMULSYTTLXJFI-NRSPTQNISA-N 0 0 453.583 2.968 40 0 JFABRN Cc1cccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222741614 569890064 /nfs/dbraw/zinc/89/00/64/569890064.db2.gz LVBAKMLJZYYZCR-SFHVURJKSA-N 0 0 485.606 2.862 40 0 JFABRN COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc(OC)c1OC ZINC000222768580 569890615 /nfs/dbraw/zinc/89/06/15/569890615.db2.gz YJNRPKAFRPNZBP-UHFFFAOYSA-N 0 0 480.583 2.745 40 0 JFABRN Cc1ccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222777353 569890821 /nfs/dbraw/zinc/89/08/21/569890821.db2.gz XXDJRSKYCAQMON-GOSISDBHSA-N 0 0 485.606 2.862 40 0 JFABRN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(CC(N)=O)cc1 ZINC000222777194 569890841 /nfs/dbraw/zinc/89/08/41/569890841.db2.gz YEEXLLXOEUSILD-UHFFFAOYSA-N 0 0 467.547 2.519 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1CCc2cc(Br)ccc21 ZINC000222792984 569891201 /nfs/dbraw/zinc/89/12/01/569891201.db2.gz KZDUJPMZEDIOBZ-UHFFFAOYSA-N 0 0 495.395 2.747 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000222793996 569891204 /nfs/dbraw/zinc/89/12/04/569891204.db2.gz MHROWZLLVQHEIL-GOSISDBHSA-N 0 0 475.611 2.748 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222796824 569891297 /nfs/dbraw/zinc/89/12/97/569891297.db2.gz JDKIGDPMDSIFNP-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN COC(=O)c1ccc(Cl)c(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c1 ZINC000222796633 569891312 /nfs/dbraw/zinc/89/13/12/569891312.db2.gz ISFUHKOMZLLBJP-UHFFFAOYSA-N 0 0 454.932 2.957 40 0 JFABRN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222817203 569891872 /nfs/dbraw/zinc/89/18/72/569891872.db2.gz JAHSJLYVOWLJQH-HNNXBMFYSA-N 0 0 486.421 2.918 40 0 JFABRN Cc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(=O)CN(C)S(C)(=O)=O)cc1 ZINC000222816917 569891874 /nfs/dbraw/zinc/89/18/74/569891874.db2.gz QQFNPDKXHNQOIK-QGZVFWFLSA-N 0 0 466.003 2.573 40 0 JFABRN C[C@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222817260 569891875 /nfs/dbraw/zinc/89/18/75/569891875.db2.gz JAHSJLYVOWLJQH-OAHLLOKOSA-N 0 0 486.421 2.918 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(I)cc1 ZINC000222818624 569891933 /nfs/dbraw/zinc/89/19/33/569891933.db2.gz DNLLQZFADLTWNW-CQSZACIVSA-N 0 0 482.318 2.842 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222843252 569892509 /nfs/dbraw/zinc/89/25/09/569892509.db2.gz IZHBZVKGHSIKOV-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 ZINC000222845800 569892530 /nfs/dbraw/zinc/89/25/30/569892530.db2.gz ZZSXDKBNHJOSKF-QGZVFWFLSA-N 0 0 462.568 2.535 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000222862569 569892976 /nfs/dbraw/zinc/89/29/76/569892976.db2.gz KZQBQMRPFYCLQO-UHFFFAOYSA-N 0 0 465.575 2.807 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222864777 569893050 /nfs/dbraw/zinc/89/30/50/569893050.db2.gz IDFKMKGEGMZIHY-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222865415 569893055 /nfs/dbraw/zinc/89/30/55/569893055.db2.gz UQKXUBRWFFEJMT-GOSISDBHSA-N 0 0 483.590 2.632 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222874970 569893266 /nfs/dbraw/zinc/89/32/66/569893266.db2.gz UNQKJBYSMZKJMU-KRWDZBQOSA-N 0 0 463.575 2.924 40 0 JFABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCCSc1nc[nH]n1 ZINC000222894402 569893756 /nfs/dbraw/zinc/89/37/56/569893756.db2.gz FUPQMPVRCHBWIM-UHFFFAOYSA-N 0 0 471.608 2.787 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222904053 569894000 /nfs/dbraw/zinc/89/40/00/569894000.db2.gz BBZVDGDIJFTGLW-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222905583 569894058 /nfs/dbraw/zinc/89/40/58/569894058.db2.gz JDYDDTVBTJWKNH-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222915039 569894291 /nfs/dbraw/zinc/89/42/91/569894291.db2.gz VCTBCWWLTRAPKL-QGZVFWFLSA-N 0 0 481.565 2.717 40 0 JFABRN CCCNS(=O)(=O)c1cc(C(=O)NCCSc2n[nH]c(-c3ccccc3)n2)ccc1OC ZINC000222921634 569894437 /nfs/dbraw/zinc/89/44/37/569894437.db2.gz CWTIZNNMFDPKMD-UHFFFAOYSA-N 0 0 475.596 2.691 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222924465 569894513 /nfs/dbraw/zinc/89/45/13/569894513.db2.gz SVVLXQBXJIMAJY-KRWDZBQOSA-N 0 0 466.003 2.822 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000222935942 569894873 /nfs/dbraw/zinc/89/48/73/569894873.db2.gz VTUXZFVCKOHFDO-LJQANCHMSA-N 0 0 496.427 2.769 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222935592 569894876 /nfs/dbraw/zinc/89/48/76/569894876.db2.gz LCMDFNBYXGFCTP-HSZRJFAPSA-N 0 0 473.639 2.990 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222952893 569895349 /nfs/dbraw/zinc/89/53/49/569895349.db2.gz LSAQEFHQIKIMJE-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222955116 569895398 /nfs/dbraw/zinc/89/53/98/569895398.db2.gz VZADQIKIYOIFFE-OAHLLOKOSA-N 0 0 499.992 2.807 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222964060 569895590 /nfs/dbraw/zinc/89/55/90/569895590.db2.gz OOWJHWOWPGCPDZ-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN COC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000222994914 569896477 /nfs/dbraw/zinc/89/64/77/569896477.db2.gz LJKOUDAMEMEWHP-UHFFFAOYSA-N 0 0 462.524 2.738 40 0 JFABRN CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCNc2ccnc3cc(Cl)ccc32)cc1 ZINC000223021786 569897012 /nfs/dbraw/zinc/89/70/12/569897012.db2.gz ISAAIKGMKBSHTI-UHFFFAOYSA-N 0 0 454.961 2.650 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223025578 569897117 /nfs/dbraw/zinc/89/71/17/569897117.db2.gz JBCGHFLRYKFUNS-NRFANRHFSA-N 0 0 488.654 2.941 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223029443 569897222 /nfs/dbraw/zinc/89/72/22/569897222.db2.gz VZWHQJIKCRLQJD-HXUWFJFHSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223028675 569897226 /nfs/dbraw/zinc/89/72/26/569897226.db2.gz MLAMMABSNSEWGY-QFIPXVFZSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223031571 569897324 /nfs/dbraw/zinc/89/73/24/569897324.db2.gz BFOQWZJTBXSWEE-FQEVSTJZSA-N 0 0 475.611 2.631 40 0 JFABRN CCn1c2ccc(S(=O)(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2oc1=O ZINC000223032609 569897393 /nfs/dbraw/zinc/89/73/93/569897393.db2.gz HDWVXXYCOUZWDB-QHCPKHFHSA-N 0 0 493.541 2.887 40 0 JFABRN O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)c2ccccc2O1 ZINC000223035401 569897439 /nfs/dbraw/zinc/89/74/39/569897439.db2.gz AIMFBQVMGAXVJT-FQEVSTJZSA-N 0 0 460.515 2.523 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223036737 569897487 /nfs/dbraw/zinc/89/74/87/569897487.db2.gz IALHUAMCGXHHMB-LJQANCHMSA-N 0 0 485.606 2.863 40 0 JFABRN COc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223050400 569897738 /nfs/dbraw/zinc/89/77/38/569897738.db2.gz BYPVPDICLCMKTA-IBGZPJMESA-N 0 0 489.638 2.956 40 0 JFABRN COc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(OC)c(N3C(=O)CCC3=O)c1)CC(C)(C)O2 ZINC000223048849 569897755 /nfs/dbraw/zinc/89/77/55/569897755.db2.gz NGYLYNKTRSUWBJ-KRWDZBQOSA-N 0 0 474.535 2.938 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223072036 569898563 /nfs/dbraw/zinc/89/85/63/569898563.db2.gz PFDOXQVXYQUALE-KRWDZBQOSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223079138 569898843 /nfs/dbraw/zinc/89/88/43/569898843.db2.gz JCFDUGCSAUATKO-NRFANRHFSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223088317 569899086 /nfs/dbraw/zinc/89/90/86/569899086.db2.gz DLEDWVVRKFGIDL-FQEVSTJZSA-N 0 0 467.538 2.593 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223099037 569899361 /nfs/dbraw/zinc/89/93/61/569899361.db2.gz JGKVMYDPCMHSOT-QFIPXVFZSA-N 0 0 459.612 2.949 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223113490 569899814 /nfs/dbraw/zinc/89/98/14/569899814.db2.gz NHFYCVQRUQXBLI-SFHVURJKSA-N 0 0 477.602 2.966 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223115214 569899881 /nfs/dbraw/zinc/89/98/81/569899881.db2.gz WVNMRKMGKOIYJY-RTBURBONSA-N 0 0 492.617 2.771 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223120166 569900014 /nfs/dbraw/zinc/90/00/14/569900014.db2.gz XHMUKECKTJDTDC-LJQANCHMSA-N 0 0 451.976 2.659 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223123475 569900194 /nfs/dbraw/zinc/90/01/94/569900194.db2.gz LLZDXZBERKCBCB-GOSISDBHSA-N 0 0 469.966 2.799 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223124963 569900211 /nfs/dbraw/zinc/90/02/11/569900211.db2.gz URVDZVHKXLDBTG-OAQYLSRUSA-N 0 0 488.654 2.941 40 0 JFABRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 ZINC000223165521 569901729 /nfs/dbraw/zinc/90/17/29/569901729.db2.gz ZEQGMZGIZUREMG-RPWUZVMVSA-N 0 0 491.617 2.964 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223168102 569901822 /nfs/dbraw/zinc/90/18/22/569901822.db2.gz HRBLILGALVXHSO-LJQANCHMSA-N 0 0 469.966 2.799 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223174117 569902016 /nfs/dbraw/zinc/90/20/16/569902016.db2.gz SLKRBHPYAJPLRY-LJQANCHMSA-N 0 0 469.966 2.799 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Cc1ccccc1F ZINC000223173642 569902034 /nfs/dbraw/zinc/90/20/34/569902034.db2.gz MBECXQSHNXEKCK-UHFFFAOYSA-N 0 0 497.614 2.791 40 0 JFABRN CCC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3nc(-c4cccc(OC)c4)no3)ccc21 ZINC000223174152 569902039 /nfs/dbraw/zinc/90/20/39/569902039.db2.gz DARUIYZZBRAARK-UHFFFAOYSA-N 0 0 456.524 2.865 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223178029 569902182 /nfs/dbraw/zinc/90/21/82/569902182.db2.gz NCKLUQMPQQKOMI-IBGZPJMESA-N 0 0 487.956 2.938 40 0 JFABRN COc1cccc(N(CCCC(=O)NCc2ccccc2CN2CCCC2=O)S(C)(=O)=O)c1 ZINC000223181496 569902362 /nfs/dbraw/zinc/90/23/62/569902362.db2.gz UOVQJWMASDICBI-UHFFFAOYSA-N 0 0 473.595 2.680 40 0 JFABRN CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223187760 569902687 /nfs/dbraw/zinc/90/26/87/569902687.db2.gz YPZBDNHWAJOGNZ-HSZRJFAPSA-N 0 0 491.629 2.963 40 0 JFABRN CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223187819 569902738 /nfs/dbraw/zinc/90/27/38/569902738.db2.gz YPZBDNHWAJOGNZ-QHCPKHFHSA-N 0 0 491.629 2.963 40 0 JFABRN CC(C)CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223187913 569902742 /nfs/dbraw/zinc/90/27/42/569902742.db2.gz JOHOHKPBARQHQO-HSZRJFAPSA-N 0 0 491.629 2.819 40 0 JFABRN CN([C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1)S(C)(=O)=O ZINC000223201468 569903231 /nfs/dbraw/zinc/90/32/31/569903231.db2.gz NHZASGRKGQBXPQ-LJQANCHMSA-N 0 0 455.502 2.987 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000223211417 569903607 /nfs/dbraw/zinc/90/36/07/569903607.db2.gz KZEXKWYHNFSEEZ-NRFANRHFSA-N 0 0 479.574 2.544 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223230759 569904283 /nfs/dbraw/zinc/90/42/83/569904283.db2.gz HVYTTZUHZMIQCG-OAQYLSRUSA-N 0 0 463.575 2.925 40 0 JFABRN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]CCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000223267336 569905413 /nfs/dbraw/zinc/90/54/13/569905413.db2.gz QXHSWCFDOIPZDC-UHFFFAOYSA-N 0 0 471.608 2.826 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223276761 569905872 /nfs/dbraw/zinc/90/58/72/569905872.db2.gz XWVRELYVZBLQLL-QGZVFWFLSA-N 0 0 489.569 2.694 40 0 JFABRN CCCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)s1 ZINC000223319894 569907423 /nfs/dbraw/zinc/90/74/23/569907423.db2.gz KLEAADFGIVDAOV-UHFFFAOYSA-N 0 0 455.631 2.537 40 0 JFABRN CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000223332313 569907857 /nfs/dbraw/zinc/90/78/57/569907857.db2.gz BXJNHLQOEGVLFH-QHCPKHFHSA-N 0 0 459.612 2.954 40 0 JFABRN COC(=O)c1cccc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000223354400 569908420 /nfs/dbraw/zinc/90/84/20/569908420.db2.gz UBFLBPJFJUJDKD-UHFFFAOYSA-N 0 0 452.286 2.764 40 0 JFABRN COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c(OC)c1OC ZINC000223364678 569908951 /nfs/dbraw/zinc/90/89/51/569908951.db2.gz OUNBPPSHDLTZQZ-UHFFFAOYSA-N 0 0 498.970 2.948 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223397525 569909826 /nfs/dbraw/zinc/90/98/26/569909826.db2.gz FPKNNMWMDUOOGI-FQEVSTJZSA-N 0 0 499.992 2.807 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223402428 569909966 /nfs/dbraw/zinc/90/99/66/569909966.db2.gz YLIWHCKHYIEECW-JOCHJYFZSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223406759 569910176 /nfs/dbraw/zinc/91/01/76/569910176.db2.gz WQNXJWMRKHJNSZ-OAQYLSRUSA-N 0 0 451.523 2.625 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223434278 569911271 /nfs/dbraw/zinc/91/12/71/569911271.db2.gz TVEJURKUIADWKI-NRFANRHFSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223434839 569911317 /nfs/dbraw/zinc/91/13/17/569911317.db2.gz HBJVTYBFSMGFBH-NRFANRHFSA-N 0 0 475.611 2.631 40 0 JFABRN COc1ccccc1[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl ZINC000223446458 569911662 /nfs/dbraw/zinc/91/16/62/569911662.db2.gz DGJVJCPKCDXAPC-HNNXBMFYSA-N 0 0 451.976 2.776 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223474339 569912556 /nfs/dbraw/zinc/91/25/56/569912556.db2.gz LNNYJCKPIJEVFY-HXUWFJFHSA-N 0 0 466.003 2.702 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223477031 569912634 /nfs/dbraw/zinc/91/26/34/569912634.db2.gz WLSRAFYYXMUPAE-FQEVSTJZSA-N 0 0 496.029 2.711 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223483058 569912903 /nfs/dbraw/zinc/91/29/03/569912903.db2.gz YKDLJSREVIKSGG-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223488877 569913182 /nfs/dbraw/zinc/91/31/82/569913182.db2.gz XLICHWFJSXGEDH-JOCHJYFZSA-N 0 0 477.602 2.968 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NCCOc2cccc3ccccc32)S(C)(=O)=O)c1 ZINC000223518901 569914341 /nfs/dbraw/zinc/91/43/41/569914341.db2.gz LUVKWDBAFXHBKN-UHFFFAOYSA-N 0 0 458.536 2.818 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000223520707 569914427 /nfs/dbraw/zinc/91/44/27/569914427.db2.gz BMSGHRRPHQZWHP-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223536881 569915030 /nfs/dbraw/zinc/91/50/30/569915030.db2.gz LJYILVYVNHLBRR-HSZRJFAPSA-N 0 0 475.611 2.573 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC ZINC000223545637 569915461 /nfs/dbraw/zinc/91/54/61/569915461.db2.gz JCARROSYSNMCHL-SFHVURJKSA-N 0 0 466.556 2.582 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223549617 569915611 /nfs/dbraw/zinc/91/56/11/569915611.db2.gz DLLVEUYYYNUYQA-OAQYLSRUSA-N 0 0 473.639 2.992 40 0 JFABRN COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCCN2CCOCC2)c2ccccc2)cc1 ZINC000223557433 569915873 /nfs/dbraw/zinc/91/58/73/569915873.db2.gz PQYLMVWXQHOCEQ-DEOSSOPVSA-N 0 0 453.583 2.870 40 0 JFABRN O=C(NCCOc1cccc2ccccc21)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000223560066 569916037 /nfs/dbraw/zinc/91/60/37/569916037.db2.gz UEYIOHIUKVFGOG-UHFFFAOYSA-N 0 0 454.548 2.811 40 0 JFABRN COc1cccc(N(CCCC(=O)N(C)Cc2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 ZINC000223560657 569916059 /nfs/dbraw/zinc/91/60/59/569916059.db2.gz ZPLDTZKDFFOERG-UHFFFAOYSA-N 0 0 450.557 2.917 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223566232 569916363 /nfs/dbraw/zinc/91/63/63/569916363.db2.gz QKQVLSOQJKBWTQ-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223567887 569916417 /nfs/dbraw/zinc/91/64/17/569916417.db2.gz BVDRRPTVXMGTEU-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223587111 569917014 /nfs/dbraw/zinc/91/70/14/569917014.db2.gz HDJHYEGUMCGWBM-FQEVSTJZSA-N 0 0 459.612 2.949 40 0 JFABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223587356 569917050 /nfs/dbraw/zinc/91/70/50/569917050.db2.gz UQXAZPWRABVVPR-FQEVSTJZSA-N 0 0 471.579 2.555 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223586773 569917051 /nfs/dbraw/zinc/91/70/51/569917051.db2.gz KSMIFGCOZYKENJ-QGZVFWFLSA-N 0 0 466.003 2.822 40 0 JFABRN Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1I ZINC000223605371 569917611 /nfs/dbraw/zinc/91/76/11/569917611.db2.gz GGDCNFKVFMYBNY-CVEARBPZSA-N 0 0 456.353 2.986 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223607691 569917723 /nfs/dbraw/zinc/91/77/23/569917723.db2.gz BEUZBRSRVLJXMQ-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223607831 569917769 /nfs/dbraw/zinc/91/77/69/569917769.db2.gz FHRIQGFQTIJTIY-IBGZPJMESA-N 0 0 459.612 2.877 40 0 JFABRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)n2)cc1 ZINC000223619020 569918068 /nfs/dbraw/zinc/91/80/68/569918068.db2.gz LBMXVONRDDSKAN-UHFFFAOYSA-N 0 0 456.524 2.865 40 0 JFABRN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000223650321 569918875 /nfs/dbraw/zinc/91/88/75/569918875.db2.gz NTKQEKJJUBXKBA-UHFFFAOYSA-N 0 0 460.596 2.955 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)s1 ZINC000223660300 569919312 /nfs/dbraw/zinc/91/93/12/569919312.db2.gz PJPLIEGWGYWIEB-UHFFFAOYSA-N 0 0 492.604 2.946 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223669173 569919518 /nfs/dbraw/zinc/91/95/18/569919518.db2.gz TZIJQCZOUIAQRC-NRFANRHFSA-N 0 0 488.654 2.778 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000223677207 569919724 /nfs/dbraw/zinc/91/97/24/569919724.db2.gz IVZSSLJITIKUHP-UHFFFAOYSA-N 0 0 462.524 2.819 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223713486 569920829 /nfs/dbraw/zinc/92/08/29/569920829.db2.gz BBHFBJGXEWVRLZ-MRXNPFEDSA-N 0 0 499.008 2.645 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223712365 569920851 /nfs/dbraw/zinc/92/08/51/569920851.db2.gz RHTQNXPOISKPFO-OAQYLSRUSA-N 0 0 499.633 2.986 40 0 JFABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223726635 569921301 /nfs/dbraw/zinc/92/13/01/569921301.db2.gz WCDDFVCRFBQWKE-OAQYLSRUSA-N 0 0 485.606 2.863 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223739607 569921697 /nfs/dbraw/zinc/92/16/97/569921697.db2.gz ITDCCGGSJQIGCH-MRXNPFEDSA-N 0 0 451.976 2.659 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223753193 569922169 /nfs/dbraw/zinc/92/21/69/569922169.db2.gz UASNSIBWBKZOSH-QGZVFWFLSA-N 0 0 481.018 2.506 40 0 JFABRN C[C@H]1CCC[N@H+](CCC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)C1 ZINC000223781404 569923142 /nfs/dbraw/zinc/92/31/42/569923142.db2.gz XGQXMNUPZZGALN-ZDUSSCGKSA-N 0 0 458.009 2.844 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223785331 569923221 /nfs/dbraw/zinc/92/32/21/569923221.db2.gz XYUPJCNFYWKCAR-GOSISDBHSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223787019 569923286 /nfs/dbraw/zinc/92/32/86/569923286.db2.gz VJLMBCCPNCAXBF-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223792935 569923478 /nfs/dbraw/zinc/92/34/78/569923478.db2.gz VOFSCVUCHKWXMZ-QGZVFWFLSA-N 0 0 463.575 2.708 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223832152 569924619 /nfs/dbraw/zinc/92/46/19/569924619.db2.gz XATPPVPTQNPXFQ-AHRSYUTCSA-N 0 0 459.974 2.925 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1I ZINC000223848600 569925024 /nfs/dbraw/zinc/92/50/24/569925024.db2.gz UOOLVRGTSWAXEQ-LLVKDONJSA-N 0 0 495.360 2.743 40 0 JFABRN C[C@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223855920 569925238 /nfs/dbraw/zinc/92/52/38/569925238.db2.gz HYJNTRRHCPBYBL-HNNXBMFYSA-N 0 0 456.561 2.653 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223857130 569925285 /nfs/dbraw/zinc/92/52/85/569925285.db2.gz CFIXFLHLPNQNNC-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223857804 569925294 /nfs/dbraw/zinc/92/52/94/569925294.db2.gz YPIBJILVTDVPBF-ZDUSSCGKSA-N 0 0 498.388 2.691 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223859046 569925382 /nfs/dbraw/zinc/92/53/82/569925382.db2.gz BCOCNGBDXBDYEJ-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223866131 569925631 /nfs/dbraw/zinc/92/56/31/569925631.db2.gz NVOHVQHZNYCWPF-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223874159 569925845 /nfs/dbraw/zinc/92/58/45/569925845.db2.gz SAPCBSHXGZRTNI-QGZVFWFLSA-N 0 0 496.580 2.521 40 0 JFABRN C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223876006 569925877 /nfs/dbraw/zinc/92/58/77/569925877.db2.gz PSVGIYPRSVXMQL-KUHUBIRLSA-N 0 0 471.000 2.774 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223879262 569925991 /nfs/dbraw/zinc/92/59/91/569925991.db2.gz XQOKJXNVGIFWKX-KRWDZBQOSA-N 0 0 496.580 2.521 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223891301 569926400 /nfs/dbraw/zinc/92/64/00/569926400.db2.gz QKRNSLQWGXZAQB-MGPUTAFESA-N 0 0 468.597 2.521 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000223943184 569927956 /nfs/dbraw/zinc/92/79/56/569927956.db2.gz VXVHKYMPYQULCA-UHFFFAOYSA-N 0 0 497.639 2.875 40 0 JFABRN COc1ccc(OC)c(N([C@@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000223953658 569928304 /nfs/dbraw/zinc/92/83/04/569928304.db2.gz GDTKYDXEDCSWRW-KRWDZBQOSA-N 0 0 450.557 2.670 40 0 JFABRN COc1cccc(N(CCCC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 ZINC000223973317 569929034 /nfs/dbraw/zinc/92/90/34/569929034.db2.gz IFYBETYNNBHJKX-UHFFFAOYSA-N 0 0 450.542 2.669 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223979494 569929262 /nfs/dbraw/zinc/92/92/62/569929262.db2.gz OTGKMYRGVOWVHN-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000223982277 569929417 /nfs/dbraw/zinc/92/94/17/569929417.db2.gz KGVBWBSPAPEXDA-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1I ZINC000223983693 569929421 /nfs/dbraw/zinc/92/94/21/569929421.db2.gz GCTSAELTKWYDPS-UHFFFAOYSA-N 0 0 451.257 2.796 40 0 JFABRN Cc1ccccc1OC[C@H](C)NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223993838 569929751 /nfs/dbraw/zinc/92/97/51/569929751.db2.gz SCGQKJQBQKCCIL-SFHVURJKSA-N 0 0 462.568 2.896 40 0 JFABRN COc1ccc(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1OC ZINC000224003933 569930125 /nfs/dbraw/zinc/93/01/25/569930125.db2.gz MLHLCMKQHPTNMM-UHFFFAOYSA-N 0 0 452.598 2.795 40 0 JFABRN COc1ccc(OCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000224012516 569930457 /nfs/dbraw/zinc/93/04/57/569930457.db2.gz CFKWHELFXZUKMJ-AWEZNQCLSA-N 0 0 456.948 2.707 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000224022124 569930838 /nfs/dbraw/zinc/93/08/38/569930838.db2.gz PYTVSFKGRBVVAI-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN COc1cccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224037277 569931448 /nfs/dbraw/zinc/93/14/48/569931448.db2.gz LXTDLRZKDSAWMT-YSZBQJHXSA-N 0 0 481.593 2.812 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000224041323 569931533 /nfs/dbraw/zinc/93/15/33/569931533.db2.gz CCOSYMSARXCDRP-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)NCCOc2ccccc2OC)S(C)(=O)=O)cc1Cl ZINC000224047490 569931701 /nfs/dbraw/zinc/93/17/01/569931701.db2.gz LNIDESQICWWIQI-AWEZNQCLSA-N 0 0 456.948 2.707 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccccc1Cl ZINC000224047938 569931712 /nfs/dbraw/zinc/93/17/12/569931712.db2.gz ULWLPJFJAVUQSI-UHFFFAOYSA-N 0 0 450.988 2.966 40 0 JFABRN COc1cc2c(cc1S(=O)(=O)N1CCN(S(=O)(=O)c3ccc(C)cc3)CC1)CCCC2 ZINC000224060764 569931999 /nfs/dbraw/zinc/93/19/99/569931999.db2.gz RNHDPJCLXWKXGS-UHFFFAOYSA-N 0 0 464.609 2.578 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224064352 569932076 /nfs/dbraw/zinc/93/20/76/569932076.db2.gz MDUKXCSSSBYQFD-LJQANCHMSA-N 0 0 459.612 2.611 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000224064589 569932159 /nfs/dbraw/zinc/93/21/59/569932159.db2.gz LKSWWFRXCJCCDZ-QGZVFWFLSA-N 0 0 466.003 2.702 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224064895 569932171 /nfs/dbraw/zinc/93/21/71/569932171.db2.gz SWHPSKHUHVHLFU-KRWDZBQOSA-N 0 0 466.003 2.702 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000224070061 569932372 /nfs/dbraw/zinc/93/23/72/569932372.db2.gz PEZFJXOFFJNICL-LJQANCHMSA-N 0 0 450.557 2.916 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224119536 569933759 /nfs/dbraw/zinc/93/37/59/569933759.db2.gz BJSQVLXKVAZLLZ-HXUWFJFHSA-N 0 0 467.538 2.674 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000224130351 569934090 /nfs/dbraw/zinc/93/40/90/569934090.db2.gz RVGSFAKPEIUXKT-UHFFFAOYSA-N 0 0 456.948 2.627 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224160917 569934925 /nfs/dbraw/zinc/93/49/25/569934925.db2.gz DFKBAUHCQSLXKG-NRFANRHFSA-N 0 0 488.654 2.797 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224163658 569935015 /nfs/dbraw/zinc/93/50/15/569935015.db2.gz CUFYTNZEWMOTJM-QFIPXVFZSA-N 0 0 474.627 2.551 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224167175 569935111 /nfs/dbraw/zinc/93/51/11/569935111.db2.gz JTJMURSEWIKBPR-JOCHJYFZSA-N 0 0 492.617 2.690 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224167230 569935133 /nfs/dbraw/zinc/93/51/33/569935133.db2.gz JTJMURSEWIKBPR-QFIPXVFZSA-N 0 0 492.617 2.690 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000224188598 569935789 /nfs/dbraw/zinc/93/57/89/569935789.db2.gz SLAUPEZEIFTNMJ-HXUWFJFHSA-N 0 0 488.566 2.957 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000224190581 569935864 /nfs/dbraw/zinc/93/58/64/569935864.db2.gz VEXQVIICAAUHJF-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN Cc1ccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224201785 569936307 /nfs/dbraw/zinc/93/63/07/569936307.db2.gz BKRBHCULOYFCDZ-LJQANCHMSA-N 0 0 485.606 2.719 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224204066 569936347 /nfs/dbraw/zinc/93/63/47/569936347.db2.gz FRKCVOXONOREJK-OAQYLSRUSA-N 0 0 463.575 2.844 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(OCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000224232668 569937381 /nfs/dbraw/zinc/93/73/81/569937381.db2.gz WCETUQNJSBEQOQ-UHFFFAOYSA-N 0 0 467.396 2.742 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(OCCNC(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000224234140 569937442 /nfs/dbraw/zinc/93/74/42/569937442.db2.gz VPDAMACFFZALIL-UHFFFAOYSA-N 0 0 491.791 2.927 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224240425 569937740 /nfs/dbraw/zinc/93/77/40/569937740.db2.gz PEDZLWCXBJGGPY-JOCHJYFZSA-N 0 0 475.611 2.713 40 0 JFABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000224250102 569938114 /nfs/dbraw/zinc/93/81/14/569938114.db2.gz KONLIWZZDBKCJR-CQSZACIVSA-N 0 0 471.373 2.662 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224308553 569939974 /nfs/dbraw/zinc/93/99/74/569939974.db2.gz NMWCTCDJDVBELO-QGZVFWFLSA-N 0 0 489.569 2.550 40 0 JFABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224323133 569940578 /nfs/dbraw/zinc/94/05/78/569940578.db2.gz NYWGAXPPITYDAI-NRFANRHFSA-N 0 0 450.532 2.963 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224345786 569941399 /nfs/dbraw/zinc/94/13/99/569941399.db2.gz PIURSRYRRSAJQS-IBGZPJMESA-N 0 0 491.997 2.818 40 0 JFABRN COc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 ZINC000224353990 569941693 /nfs/dbraw/zinc/94/16/93/569941693.db2.gz OVILTNXHWOAZFZ-UHFFFAOYSA-N 0 0 450.532 2.571 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224365717 569942125 /nfs/dbraw/zinc/94/21/25/569942125.db2.gz OTQNJIKPJRHUSD-NRFANRHFSA-N 0 0 463.575 2.844 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000224373596 569942383 /nfs/dbraw/zinc/94/23/83/569942383.db2.gz BMUWTATWTTZRFP-UHFFFAOYSA-N 0 0 468.597 2.536 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224378841 569942542 /nfs/dbraw/zinc/94/25/42/569942542.db2.gz ZKQLYZBWDCLAKO-FQEVSTJZSA-N 0 0 485.528 2.813 40 0 JFABRN C[C@@H](C(=O)NCc1ccc(CN2CCCC2=O)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224384273 569942712 /nfs/dbraw/zinc/94/27/12/569942712.db2.gz COYHMGCWZMPLKS-HNNXBMFYSA-N 0 0 465.522 2.558 40 0 JFABRN COc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224403281 569943476 /nfs/dbraw/zinc/94/34/76/569943476.db2.gz VYHLHMKUTMQLHM-SFHVURJKSA-N 0 0 462.568 2.832 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)Cc1ccccc1Cl ZINC000224403182 569943507 /nfs/dbraw/zinc/94/35/07/569943507.db2.gz YIMYNOGTLBXKPY-JXMROGBWSA-N 0 0 462.015 2.959 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccccc1CN1CCCC1=O ZINC000224412976 569943854 /nfs/dbraw/zinc/94/38/54/569943854.db2.gz MXKRIQMEDPIHPD-UHFFFAOYSA-N 0 0 499.633 2.851 40 0 JFABRN O=C(/C=C/c1ccccc1Cl)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224429486 569944277 /nfs/dbraw/zinc/94/42/77/569944277.db2.gz SUKZTGFMOAGDCP-BJMVGYQFSA-N 0 0 450.944 2.569 40 0 JFABRN Cc1ccc(SCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000224433486 569944451 /nfs/dbraw/zinc/94/44/51/569944451.db2.gz JWQBAKNZXHQFBG-UHFFFAOYSA-N 0 0 464.609 2.693 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1 ZINC000224458522 569945134 /nfs/dbraw/zinc/94/51/34/569945134.db2.gz GMKJTQIHBCDSFR-OAHLLOKOSA-N 0 0 482.002 2.784 40 0 JFABRN Cc1cc(O[C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(C)c1Cl ZINC000224462180 569945187 /nfs/dbraw/zinc/94/51/87/569945187.db2.gz XBCMFNOOJRWRGK-GOSISDBHSA-N 0 0 497.013 2.940 40 0 JFABRN CC(C)(C)c1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000224467283 569945344 /nfs/dbraw/zinc/94/53/44/569945344.db2.gz MLQVFNZIZPWOKT-UHFFFAOYSA-N 0 0 476.595 2.579 40 0 JFABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224468555 569945393 /nfs/dbraw/zinc/94/53/93/569945393.db2.gz SATKOWGMVDXJAC-LJQANCHMSA-N 0 0 484.574 2.823 40 0 JFABRN COc1ccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224475571 569945610 /nfs/dbraw/zinc/94/56/10/569945610.db2.gz AHTYYWWYPPXKNV-YUXAGFNASA-N 0 0 469.582 2.526 40 0 JFABRN COc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224475494 569945652 /nfs/dbraw/zinc/94/56/52/569945652.db2.gz MAPHWKVXQJFJPI-FQEVSTJZSA-N 0 0 489.638 2.814 40 0 JFABRN Cc1ccc(C(C)C)c(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000224494048 569946263 /nfs/dbraw/zinc/94/62/63/569946263.db2.gz JCSJQIXMOKQJBN-UHFFFAOYSA-N 0 0 476.595 2.713 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccccc3)Oc3ccccc32)cc1 ZINC000224514083 569946883 /nfs/dbraw/zinc/94/68/83/569946883.db2.gz TZDRFPWSLQMBAP-QHCPKHFHSA-N 0 0 468.531 2.847 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000224523514 569947142 /nfs/dbraw/zinc/94/71/42/569947142.db2.gz HZHAUYYFLRJXCU-UHFFFAOYSA-N 0 0 451.539 2.855 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224528220 569947275 /nfs/dbraw/zinc/94/72/75/569947275.db2.gz HBFRWNCBKNZZJS-NRFANRHFSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224528168 569947283 /nfs/dbraw/zinc/94/72/83/569947283.db2.gz HBFRWNCBKNZZJS-OAQYLSRUSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224530956 569947416 /nfs/dbraw/zinc/94/74/16/569947416.db2.gz ALYDFOHLANXLHJ-HXUWFJFHSA-N 0 0 479.574 2.544 40 0 JFABRN CC[C@@H](NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccc(S(C)(=O)=O)cc1 ZINC000224537691 569947661 /nfs/dbraw/zinc/94/76/61/569947661.db2.gz ZZMYRYBQPXHJRB-HXUWFJFHSA-N 0 0 482.624 2.549 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224536848 569947662 /nfs/dbraw/zinc/94/76/62/569947662.db2.gz UKZFPTRVMOHHEN-NRFANRHFSA-N 0 0 479.574 2.544 40 0 JFABRN COc1ccc(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(C)(=O)=O)c(OC)c1 ZINC000224549741 569948037 /nfs/dbraw/zinc/94/80/37/569948037.db2.gz NIRMCGPTXKJFAZ-UHFFFAOYSA-N 0 0 462.553 2.935 40 0 JFABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224548941 569948044 /nfs/dbraw/zinc/94/80/44/569948044.db2.gz OIKDOIDLXPPNTP-OAQYLSRUSA-N 0 0 485.606 2.801 40 0 JFABRN CC[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224568235 569948854 /nfs/dbraw/zinc/94/88/54/569948854.db2.gz GODZOSBSGMBVDJ-DEOSSOPVSA-N 0 0 473.639 2.997 40 0 JFABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000224569870 569948970 /nfs/dbraw/zinc/94/89/70/569948970.db2.gz IOAKDRWHONCPRG-UHFFFAOYSA-N 0 0 485.650 2.685 40 0 JFABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224575331 569949160 /nfs/dbraw/zinc/94/91/60/569949160.db2.gz YJLKUGFZFWQOGW-NRFANRHFSA-N 0 0 485.606 2.719 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224578943 569949335 /nfs/dbraw/zinc/94/93/35/569949335.db2.gz RZCDBLQHLUMCCF-NRFANRHFSA-N 0 0 497.564 2.683 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1nc(-c2cccs2)no1 ZINC000224610599 569950591 /nfs/dbraw/zinc/95/05/91/569950591.db2.gz OUJZCNWJCXQLIG-UHFFFAOYSA-N 0 0 476.580 2.840 40 0 JFABRN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)s2)cc1 ZINC000224636781 569951804 /nfs/dbraw/zinc/95/18/04/569951804.db2.gz YIWVCQGREGBHGT-UHFFFAOYSA-N 0 0 457.581 2.605 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224655115 569952373 /nfs/dbraw/zinc/95/23/73/569952373.db2.gz PFKGJUMWUPTASQ-INIZCTEOSA-N 0 0 467.538 2.673 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000224655253 569952415 /nfs/dbraw/zinc/95/24/15/569952415.db2.gz XGJYCOWTSITOBW-SFHVURJKSA-N 0 0 493.601 2.851 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224690063 569953671 /nfs/dbraw/zinc/95/36/71/569953671.db2.gz DVSWYAZWLBAZIE-HXUWFJFHSA-N 0 0 474.627 2.551 40 0 JFABRN CCOc1ccc(N(CCCC(=O)NCCOc2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000224703079 569954175 /nfs/dbraw/zinc/95/41/75/569954175.db2.gz YDWGDRXYRLDYFB-UHFFFAOYSA-N 0 0 450.557 2.835 40 0 JFABRN COc1cc(N(CC(=O)NCCSC2CCCC2)S(C)(=O)=O)c(OC)cc1Cl ZINC000224710272 569954414 /nfs/dbraw/zinc/95/44/14/569954414.db2.gz LZZXUYXAOZMANK-UHFFFAOYSA-N 0 0 451.010 2.915 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224717404 569954606 /nfs/dbraw/zinc/95/46/06/569954606.db2.gz GDOWFDIRHRUJQL-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224727271 569954989 /nfs/dbraw/zinc/95/49/89/569954989.db2.gz QBLQNIKRXXQOIL-QGZVFWFLSA-N 0 0 481.565 2.983 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000224727898 569955000 /nfs/dbraw/zinc/95/50/00/569955000.db2.gz QIGRLLVZSATFRZ-UHFFFAOYSA-N 0 0 457.596 2.542 40 0 JFABRN Cc1ccc(C)c(N(CCCC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224729581 569955084 /nfs/dbraw/zinc/95/50/84/569955084.db2.gz BSVAJUZJNPVRDK-UHFFFAOYSA-N 0 0 473.639 2.998 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000224733646 569955291 /nfs/dbraw/zinc/95/52/91/569955291.db2.gz PSVMOOAOEKFEDM-UHFFFAOYSA-N 0 0 492.041 2.889 40 0 JFABRN CC(C)c1ccccc1N(CC(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O ZINC000224735462 569955402 /nfs/dbraw/zinc/95/54/02/569955402.db2.gz AJSPBPPKJOGXLO-UHFFFAOYSA-N 0 0 459.612 2.725 40 0 JFABRN CN(CC(=O)NCc1cccc(CN2CCOCC2)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000224742802 569955660 /nfs/dbraw/zinc/95/56/60/569955660.db2.gz LCZGKGHMNRBVTA-UHFFFAOYSA-N 0 0 467.591 2.609 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000224744394 569955716 /nfs/dbraw/zinc/95/57/16/569955716.db2.gz MYFBNIHRANMYED-UHFFFAOYSA-N 0 0 485.528 2.620 40 0 JFABRN CC[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224746482 569955810 /nfs/dbraw/zinc/95/58/10/569955810.db2.gz XLLVCSCRJOVMIU-DEOSSOPVSA-N 0 0 473.639 2.997 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224833823 569959630 /nfs/dbraw/zinc/95/96/30/569959630.db2.gz YMMJBXXCBMJWCH-SFHVURJKSA-N 0 0 495.045 2.896 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224864712 569960700 /nfs/dbraw/zinc/96/07/00/569960700.db2.gz WTJXSGCIGHSNFI-MRXNPFEDSA-N 0 0 467.538 2.674 40 0 JFABRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224902588 569962596 /nfs/dbraw/zinc/96/25/96/569962596.db2.gz NPYPGENECBIERE-XPWALMASSA-N 0 0 483.609 2.916 40 0 JFABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224933935 569964007 /nfs/dbraw/zinc/96/40/07/569964007.db2.gz YBNPUJWETGULHP-ZRBLBEILSA-N 0 0 483.609 2.916 40 0 JFABRN CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224968500 569965797 /nfs/dbraw/zinc/96/57/97/569965797.db2.gz VKMOJKJAXOCWKU-JOCHJYFZSA-N 0 0 499.633 2.843 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)cc1 ZINC000408595149 569965931 /nfs/dbraw/zinc/96/59/31/569965931.db2.gz UBGPWIURRBHGMZ-UHFFFAOYSA-N 0 0 495.966 2.806 40 0 JFABRN COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408597343 569967417 /nfs/dbraw/zinc/96/74/17/569967417.db2.gz YRLDALONKREZSF-UHFFFAOYSA-N 0 0 455.536 2.919 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)N1CCCCC1 ZINC000408597571 569967474 /nfs/dbraw/zinc/96/74/74/569967474.db2.gz ZIYPDMDXAXDAKP-UHFFFAOYSA-N 0 0 486.594 2.940 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224988195 569967677 /nfs/dbraw/zinc/96/76/77/569967677.db2.gz ACHXIKBDVYCEEL-IBGZPJMESA-N 0 0 489.638 2.967 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224991495 569967713 /nfs/dbraw/zinc/96/77/13/569967713.db2.gz QNXPALOVEBBFOO-QZTJIDSGSA-N 0 0 463.575 2.924 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408598055 569967788 /nfs/dbraw/zinc/96/77/88/569967788.db2.gz ZDVXQUYAVOIXGU-JRMCHAMMSA-N 0 0 457.596 2.528 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224993242 569967888 /nfs/dbraw/zinc/96/78/88/569967888.db2.gz FSKWSZRSJWLLBA-LJQANCHMSA-N 0 0 489.638 2.967 40 0 JFABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc(C(=O)OC)c1 ZINC000408598181 569967950 /nfs/dbraw/zinc/96/79/50/569967950.db2.gz XQAMPNYZVFFXDW-UHFFFAOYSA-N 0 0 460.508 2.605 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224997301 569968107 /nfs/dbraw/zinc/96/81/07/569968107.db2.gz ODQRTYUSEOMNRD-RTBURBONSA-N 0 0 492.617 2.771 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225001516 569968433 /nfs/dbraw/zinc/96/84/33/569968433.db2.gz QXHONUYBURLCCY-IBGZPJMESA-N 0 0 475.611 2.568 40 0 JFABRN COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 ZINC000225006747 569968863 /nfs/dbraw/zinc/96/88/63/569968863.db2.gz IYALDHNWBHISOY-HNNXBMFYSA-N 0 0 450.582 2.929 40 0 JFABRN COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 ZINC000225006715 569968880 /nfs/dbraw/zinc/96/88/80/569968880.db2.gz IYALDHNWBHISOY-OAHLLOKOSA-N 0 0 450.582 2.929 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000408601095 569968937 /nfs/dbraw/zinc/96/89/37/569968937.db2.gz FFJPQNWSSLEGGC-GOSISDBHSA-N 0 0 463.575 2.876 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2)cc1Cl ZINC000408602785 569969625 /nfs/dbraw/zinc/96/96/25/569969625.db2.gz IXSVQAPEJFFRSK-UHFFFAOYSA-N 0 0 465.959 2.552 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000225024157 569969754 /nfs/dbraw/zinc/96/97/54/569969754.db2.gz BSUBQZVQKBXVMJ-IBGZPJMESA-N 0 0 489.638 2.967 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000225024099 569969830 /nfs/dbraw/zinc/96/98/30/569969830.db2.gz SITNLVVINAHPSD-UHFFFAOYSA-N 0 0 484.477 2.723 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2cc(C)cc(C)c2)cc1OC ZINC000408603799 569970161 /nfs/dbraw/zinc/97/01/61/569970161.db2.gz GAOOMMFWLIATFE-UHFFFAOYSA-N 0 0 486.594 2.919 40 0 JFABRN Cn1c(=O)sc2cc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)ccc21 ZINC000225041771 569971334 /nfs/dbraw/zinc/97/13/34/569971334.db2.gz JYEDCKFAVWVDQE-UHFFFAOYSA-N 0 0 467.956 2.527 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)cc1Cl ZINC000408608656 569971885 /nfs/dbraw/zinc/97/18/85/569971885.db2.gz RTHPGCGOXMVJQI-UHFFFAOYSA-N 0 0 482.002 2.667 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225052105 569972060 /nfs/dbraw/zinc/97/20/60/569972060.db2.gz MWOIDRHIONTUTH-GOSISDBHSA-N 0 0 463.575 2.578 40 0 JFABRN COC[C@@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000408611223 569972663 /nfs/dbraw/zinc/97/26/63/569972663.db2.gz SLGGZQKOKHLGSY-QGZVFWFLSA-N 0 0 450.557 2.667 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225074424 569973373 /nfs/dbraw/zinc/97/33/73/569973373.db2.gz DHOXVLXSPLGEGU-LEWJYISDSA-N 0 0 488.654 2.940 40 0 JFABRN O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000225080396 569973596 /nfs/dbraw/zinc/97/35/96/569973596.db2.gz MZKBCBZRAVRORG-UHFFFAOYSA-N 0 0 485.543 2.942 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000225088746 569974181 /nfs/dbraw/zinc/97/41/81/569974181.db2.gz ONZGULUDODJQLB-SIKLNZKXSA-N 0 0 489.594 2.787 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408614774 569974245 /nfs/dbraw/zinc/97/42/45/569974245.db2.gz HULIWTIHEIPVGN-OAHLLOKOSA-N 0 0 467.975 2.900 40 0 JFABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NCCCOC)S(C)(=O)=O)cc1 ZINC000408615020 569974352 /nfs/dbraw/zinc/97/43/52/569974352.db2.gz KXRMGOCQRFIHIV-KRWDZBQOSA-N 0 0 477.583 2.645 40 0 JFABRN COc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCc4ccco4)CC3=O)cc2)c1 ZINC000408615237 569974597 /nfs/dbraw/zinc/97/45/97/569974597.db2.gz NTHABLDFKOWNFR-QGZVFWFLSA-N 0 0 463.490 2.975 40 0 JFABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)c1C ZINC000408615421 569974675 /nfs/dbraw/zinc/97/46/75/569974675.db2.gz QELPZPBQBBSXDM-OAQYLSRUSA-N 0 0 478.593 2.747 40 0 JFABRN COc1cccc(N(CC(=O)N2CC(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)c1 ZINC000408615524 569974812 /nfs/dbraw/zinc/97/48/12/569974812.db2.gz BKMQXTMFBWPHHF-UHFFFAOYSA-N 0 0 451.504 2.876 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225097180 569974855 /nfs/dbraw/zinc/97/48/55/569974855.db2.gz XQIZWJWRWFPGFH-NRFANRHFSA-N 0 0 485.606 2.945 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225097142 569974883 /nfs/dbraw/zinc/97/48/83/569974883.db2.gz XQIZWJWRWFPGFH-OAQYLSRUSA-N 0 0 485.606 2.945 40 0 JFABRN Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000408615723 569974999 /nfs/dbraw/zinc/97/49/99/569974999.db2.gz RLTPPLOYMZAKAT-DENIHFKCSA-N 0 0 465.550 2.969 40 0 JFABRN Cc1ccc(C)c(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)c1 ZINC000408615833 569975042 /nfs/dbraw/zinc/97/50/42/569975042.db2.gz SRXXDYYEZUNXPI-UGKGYDQZSA-N 0 0 465.550 2.969 40 0 JFABRN Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000408615725 569975045 /nfs/dbraw/zinc/97/50/45/569975045.db2.gz RLTPPLOYMZAKAT-KNQAVFIVSA-N 0 0 465.550 2.969 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000408616015 569975234 /nfs/dbraw/zinc/97/52/34/569975234.db2.gz FAHNKEQJCOCRBR-HNNXBMFYSA-N 0 0 464.540 2.900 40 0 JFABRN CCOc1ccccc1N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(C)(=O)=O ZINC000408616057 569975266 /nfs/dbraw/zinc/97/52/66/569975266.db2.gz VGDZUFAFHULBIW-FMIVXFBMSA-N 0 0 457.596 2.709 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225121367 569976245 /nfs/dbraw/zinc/97/62/45/569976245.db2.gz RGLFGMRXDSZKBB-CZAYHTPWSA-N 0 0 453.583 2.968 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225121323 569976247 /nfs/dbraw/zinc/97/62/47/569976247.db2.gz RGLFGMRXDSZKBB-KIZRIRGWSA-N 0 0 453.583 2.968 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225125171 569976458 /nfs/dbraw/zinc/97/64/58/569976458.db2.gz IIWUNBYORFITSL-RBUKOAKNSA-N 0 0 485.606 2.862 40 0 JFABRN COC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000408618103 569976516 /nfs/dbraw/zinc/97/65/16/569976516.db2.gz CRWPYNPSRBNVKD-INIZCTEOSA-N 0 0 454.976 2.733 40 0 JFABRN COc1ccccc1N1CCN(C(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)CC1 ZINC000408618143 569976520 /nfs/dbraw/zinc/97/65/20/569976520.db2.gz DAEXOELGRPJTPC-UHFFFAOYSA-N 0 0 496.427 2.568 40 0 JFABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCCCN1CCOCC1 ZINC000408618281 569976642 /nfs/dbraw/zinc/97/66/42/569976642.db2.gz FPZMCAQZPHPERY-UHFFFAOYSA-N 0 0 483.993 2.509 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c2ccc(F)cc2)cc1 ZINC000408618649 569976846 /nfs/dbraw/zinc/97/68/46/569976846.db2.gz KXLCHDKPLDREOW-UHFFFAOYSA-N 0 0 498.536 2.859 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCOc1ccccc1OC ZINC000225141613 569977556 /nfs/dbraw/zinc/97/75/56/569977556.db2.gz SJNQJAALSRHTMM-UHFFFAOYSA-N 0 0 462.568 2.616 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000408620088 569977615 /nfs/dbraw/zinc/97/76/15/569977615.db2.gz MUYSHMAEZBJQIB-UHFFFAOYSA-N 0 0 498.399 2.620 40 0 JFABRN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCCN1CCOCC1 ZINC000408620778 569977965 /nfs/dbraw/zinc/97/79/65/569977965.db2.gz LYFBAGIQDQCLOL-UHFFFAOYSA-N 0 0 486.421 2.633 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000408620957 569978017 /nfs/dbraw/zinc/97/80/17/569978017.db2.gz KNEBOAVUGQLVJX-OAHLLOKOSA-N 0 0 469.966 2.893 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000408620952 569978085 /nfs/dbraw/zinc/97/80/85/569978085.db2.gz KNEBOAVUGQLVJX-HNNXBMFYSA-N 0 0 469.966 2.893 40 0 JFABRN CCOc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)S(C)(=O)=O ZINC000408621822 569978508 /nfs/dbraw/zinc/97/85/08/569978508.db2.gz PBGYKKBBGCTYHQ-UHFFFAOYSA-N 0 0 452.554 2.827 40 0 JFABRN Cn1c2ccc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2n(C)c1=O ZINC000408622127 569978618 /nfs/dbraw/zinc/97/86/18/569978618.db2.gz AXLVCTPGWLJOTM-UHFFFAOYSA-N 0 0 457.339 2.589 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408622325 569978754 /nfs/dbraw/zinc/97/87/54/569978754.db2.gz VQYGQXWOSJQXHS-UHFFFAOYSA-N 0 0 468.915 2.626 40 0 JFABRN O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCN1CCOCC1 ZINC000408622577 569978840 /nfs/dbraw/zinc/97/88/40/569978840.db2.gz RIXHEAYPCPDMSI-UHFFFAOYSA-N 0 0 486.421 2.633 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(C(=O)OC)ccc1OC ZINC000225162138 569979314 /nfs/dbraw/zinc/97/93/14/569979314.db2.gz AWRJWCNYUVGKIJ-GOSISDBHSA-N 0 0 450.513 2.674 40 0 JFABRN COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1OC ZINC000225162239 569979392 /nfs/dbraw/zinc/97/93/92/569979392.db2.gz QHZAUNUCOOZGSP-UHFFFAOYSA-N 0 0 468.944 2.940 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000408623778 569979420 /nfs/dbraw/zinc/97/94/20/569979420.db2.gz PRUFRDZTGSFKGP-OAHLLOKOSA-N 0 0 469.966 2.893 40 0 JFABRN CC[C@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000225166944 569979630 /nfs/dbraw/zinc/97/96/30/569979630.db2.gz OKKDSRUHEDJYSD-GFCCVEGCSA-N 0 0 493.032 2.948 40 0 JFABRN Cc1ccccc1CN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408624326 569979654 /nfs/dbraw/zinc/97/96/54/569979654.db2.gz SIGQZDCSFJFNBU-UHFFFAOYSA-N 0 0 480.030 2.678 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000408625536 569980165 /nfs/dbraw/zinc/98/01/65/569980165.db2.gz SVGWKTABURTGNI-AWEZNQCLSA-N 0 0 455.939 2.503 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000408625540 569980184 /nfs/dbraw/zinc/98/01/84/569980184.db2.gz SVGWKTABURTGNI-CQSZACIVSA-N 0 0 455.939 2.503 40 0 JFABRN CCOc1ccccc1N(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408626988 569980948 /nfs/dbraw/zinc/98/09/48/569980948.db2.gz YTOKFQITSDDBEO-UHFFFAOYSA-N 0 0 496.029 2.773 40 0 JFABRN C[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)cc2)CC1 ZINC000225189120 569981327 /nfs/dbraw/zinc/98/13/27/569981327.db2.gz LACLLBJSHIXDCX-UHFFFAOYSA-N 0 0 493.014 2.996 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225192553 569981541 /nfs/dbraw/zinc/98/15/41/569981541.db2.gz CXUNOSFTNYNODH-RLLQIKCJSA-N 0 0 457.546 2.800 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000225194527 569981701 /nfs/dbraw/zinc/98/17/01/569981701.db2.gz XQRZKGHIHCTTCI-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(C)(=O)=O)cc1 ZINC000408630469 569982335 /nfs/dbraw/zinc/98/23/35/569982335.db2.gz VAIMDUIKHZUPRR-UHFFFAOYSA-N 0 0 482.562 2.815 40 0 JFABRN Cc1ccccc1N(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408630642 569982466 /nfs/dbraw/zinc/98/24/66/569982466.db2.gz WEFFAVFYGXFOMF-UHFFFAOYSA-N 0 0 466.003 2.682 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(I)cc1 ZINC000225208399 569982502 /nfs/dbraw/zinc/98/25/02/569982502.db2.gz JEHGCGVYTNHPJE-AWEZNQCLSA-N 0 0 452.292 2.833 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC)S(C)(=O)=O ZINC000225209009 569982539 /nfs/dbraw/zinc/98/25/39/569982539.db2.gz XAZJCTHYENLCTI-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN O=S(=O)(c1ccc(CNC(=S)Nc2nccc(-c3cccs3)n2)cc1)N1CCOCC1 ZINC000225220471 569983434 /nfs/dbraw/zinc/98/34/34/569983434.db2.gz DSVZVJIHKCWQHQ-UHFFFAOYSA-N 0 0 475.621 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000225223958 569983694 /nfs/dbraw/zinc/98/36/94/569983694.db2.gz COHDJAIUMSWDIK-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000225224970 569983818 /nfs/dbraw/zinc/98/38/18/569983818.db2.gz GTGKFVZLWVGXCA-INIZCTEOSA-N 0 0 485.528 2.943 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000225225311 569983915 /nfs/dbraw/zinc/98/39/15/569983915.db2.gz XIUQCEXKGUTVHH-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225229746 569984236 /nfs/dbraw/zinc/98/42/36/569984236.db2.gz HFODCJLYDDNVNB-RTBURBONSA-N 0 0 492.617 2.771 40 0 JFABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCS/C2=C\c2nc(-c3ccccc3F)no2)C1 ZINC000225241215 569984981 /nfs/dbraw/zinc/98/49/81/569984981.db2.gz NPIDCKPNAMKIAR-CRRKTRLDSA-N 0 0 466.560 2.811 40 0 JFABRN COc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1C(=O)N1CCCC1 ZINC000225243609 569985218 /nfs/dbraw/zinc/98/52/18/569985218.db2.gz PXFKVZHABMZHJO-UHFFFAOYSA-N 0 0 458.580 2.958 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc2OC)cc1 ZINC000225247933 569985456 /nfs/dbraw/zinc/98/54/56/569985456.db2.gz LAKDDFDLTSTNBQ-LJQANCHMSA-N 0 0 498.557 2.855 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1 ZINC000408636137 569986438 /nfs/dbraw/zinc/98/64/38/569986438.db2.gz LPDDAWWNWIBADK-SFHVURJKSA-N 0 0 452.960 2.835 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)CCCN(c3cccc(OC)c3)S(C)(=O)=O)n2)cc1 ZINC000225260568 569986511 /nfs/dbraw/zinc/98/65/11/569986511.db2.gz UQDIGQREAKLWQC-UHFFFAOYSA-N 0 0 488.566 2.959 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl)NC[C@H]1CCCO1 ZINC000408636262 569986584 /nfs/dbraw/zinc/98/65/84/569986584.db2.gz MZEPLBBVYWCKPN-GOSISDBHSA-N 0 0 464.971 2.761 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225267235 569986997 /nfs/dbraw/zinc/98/69/97/569986997.db2.gz DGCNDVIWPLEQHP-NSHDSACASA-N 0 0 472.466 2.562 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)Cc2ccccc2)cc1 ZINC000408637141 569987201 /nfs/dbraw/zinc/98/72/01/569987201.db2.gz YMNIHADHSLKHOF-UHFFFAOYSA-N 0 0 456.568 2.679 40 0 JFABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000225271860 569987380 /nfs/dbraw/zinc/98/73/80/569987380.db2.gz RYMBQQRZRSPHQO-KRWDZBQOSA-N 0 0 462.593 2.765 40 0 JFABRN CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000408644797 569991017 /nfs/dbraw/zinc/99/10/17/569991017.db2.gz ICGUSAHFJVKDQV-UHFFFAOYSA-N 0 0 452.916 2.953 40 0 JFABRN CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000408644910 569991109 /nfs/dbraw/zinc/99/11/09/569991109.db2.gz IVJOVGAASHBBKI-UHFFFAOYSA-N 0 0 483.340 2.753 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCSCc1ccccc1 ZINC000225341306 569991511 /nfs/dbraw/zinc/99/15/11/569991511.db2.gz AUQKAQLWSVIQHV-UHFFFAOYSA-N 0 0 478.636 2.698 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225359533 569992815 /nfs/dbraw/zinc/99/28/15/569992815.db2.gz KECAADIXHXTHKT-QZTJIDSGSA-N 0 0 493.601 2.932 40 0 JFABRN CCOc1cc(CNC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)ccc1OC ZINC000225367854 569993314 /nfs/dbraw/zinc/99/33/14/569993314.db2.gz ARXCMZPWPXFVQP-UHFFFAOYSA-N 0 0 450.557 2.965 40 0 JFABRN Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)c1 ZINC000408650989 569994041 /nfs/dbraw/zinc/99/40/41/569994041.db2.gz CPJPNYYNOOFYRO-ZDUSSCGKSA-N 0 0 464.305 2.977 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225382636 569994167 /nfs/dbraw/zinc/99/41/67/569994167.db2.gz QILYEYYTHZVUJL-QHCPKHFHSA-N 0 0 489.638 2.958 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000225388282 569994435 /nfs/dbraw/zinc/99/44/35/569994435.db2.gz JHVRADHCHDKZKE-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC)S(C)(=O)=O ZINC000225388552 569994461 /nfs/dbraw/zinc/99/44/61/569994461.db2.gz QTXJWQFTFNSMMT-INIZCTEOSA-N 0 0 466.003 2.832 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000225390370 569994558 /nfs/dbraw/zinc/99/45/58/569994558.db2.gz JNWLDIQBTFOODR-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225401629 569995031 /nfs/dbraw/zinc/99/50/31/569995031.db2.gz QURRWHCLPWZZRH-QFIPXVFZSA-N 0 0 493.601 2.934 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 ZINC000408652732 569995081 /nfs/dbraw/zinc/99/50/81/569995081.db2.gz HDVOZHOCUSTHFZ-CQSZACIVSA-N 0 0 464.305 2.977 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1ccc(Br)c(Cl)c1 ZINC000408652730 569995097 /nfs/dbraw/zinc/99/50/97/569995097.db2.gz HDFPHMCQPVMIGS-ZDUSSCGKSA-N 0 0 494.729 2.778 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc2c(c1)OCCO2 ZINC000225411620 569995492 /nfs/dbraw/zinc/99/54/92/569995492.db2.gz LSJCIMIZHZNYLQ-UHFFFAOYSA-N 0 0 488.606 2.869 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225415024 569995679 /nfs/dbraw/zinc/99/56/79/569995679.db2.gz STLKIGJVDSNTCA-BHIFYINESA-N 0 0 469.582 2.670 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225431919 569996421 /nfs/dbraw/zinc/99/64/21/569996421.db2.gz HHBUDXWPXXGLLN-INIZCTEOSA-N 0 0 467.538 2.674 40 0 JFABRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)ccc1NS(C)(=O)=O ZINC000225432323 569996539 /nfs/dbraw/zinc/99/65/39/569996539.db2.gz MEANDRFYLAGZCQ-VQTJNVASSA-N 0 0 457.581 2.977 40 0 JFABRN CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 ZINC000408655219 569996703 /nfs/dbraw/zinc/99/67/03/569996703.db2.gz LPYSHEGVXGVNOT-IBGZPJMESA-N 0 0 466.490 2.989 40 0 JFABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225434806 569996747 /nfs/dbraw/zinc/99/67/47/569996747.db2.gz ZKSQVKZLKMCXHE-NRFANRHFSA-N 0 0 477.602 2.968 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000225435497 569996760 /nfs/dbraw/zinc/99/67/60/569996760.db2.gz HOWDNLPEYHPXSY-KRWDZBQOSA-N 0 0 463.575 2.878 40 0 JFABRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)ccc1NS(C)(=O)=O ZINC000225440930 569996983 /nfs/dbraw/zinc/99/69/83/569996983.db2.gz IWHDDZRQVUISBN-UXHICEINSA-N 0 0 457.581 2.977 40 0 JFABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225446346 569997175 /nfs/dbraw/zinc/99/71/75/569997175.db2.gz XRCVCMDXVACUOQ-QHCPKHFHSA-N 0 0 473.639 2.992 40 0 JFABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225446386 569997193 /nfs/dbraw/zinc/99/71/93/569997193.db2.gz JHWVVTRUHJBZPL-BDTNDASRSA-N 0 0 453.583 2.704 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225447871 569997254 /nfs/dbraw/zinc/99/72/54/569997254.db2.gz YGUHQEQPTMDARZ-KIZRIRGWSA-N 0 0 453.583 2.702 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000225461102 569997745 /nfs/dbraw/zinc/99/77/45/569997745.db2.gz AGEWWAOQUDAQNP-IBGZPJMESA-N 0 0 475.611 2.793 40 0 JFABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2 ZINC000225468866 569998116 /nfs/dbraw/zinc/99/81/16/569998116.db2.gz WHIUTWFAWMDDSM-SFHVURJKSA-N 0 0 489.594 2.513 40 0 JFABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000225473509 569998412 /nfs/dbraw/zinc/99/84/12/569998412.db2.gz GEJVVSIPZQJMMH-NRFANRHFSA-N 0 0 464.609 2.758 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(CN4CCCC4=O)cc3)CC2)cc1 ZINC000225480947 569998848 /nfs/dbraw/zinc/99/88/48/569998848.db2.gz XZBNOVWGBIRUAD-UHFFFAOYSA-N 0 0 469.607 2.835 40 0 JFABRN CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1 ZINC000408658361 569998915 /nfs/dbraw/zinc/99/89/15/569998915.db2.gz RDMGXHJXFJHXGZ-GOSISDBHSA-N 0 0 452.463 2.601 40 0 JFABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1NS(C)(=O)=O ZINC000225485141 569999112 /nfs/dbraw/zinc/99/91/12/569999112.db2.gz ANATXORXIPDYNC-UXHICEINSA-N 0 0 457.581 2.977 40 0 JFABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)cc1NS(C)(=O)=O ZINC000225485217 569999120 /nfs/dbraw/zinc/99/91/20/569999120.db2.gz ANATXORXIPDYNC-WOJBJXKFSA-N 0 0 457.581 2.977 40 0 JFABRN COc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000225484820 569999149 /nfs/dbraw/zinc/99/91/49/569999149.db2.gz VKHPKDQUHDMOIW-MRXNPFEDSA-N 0 0 450.532 2.819 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000225487176 569999270 /nfs/dbraw/zinc/99/92/70/569999270.db2.gz BHWNYQCLWWYJEY-IBGZPJMESA-N 0 0 487.622 2.906 40 0 JFABRN COc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC ZINC000225489346 569999392 /nfs/dbraw/zinc/99/93/92/569999392.db2.gz QLLMTGWCVOEQMD-UHFFFAOYSA-N 0 0 464.559 2.993 40 0 JFABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000225491564 569999517 /nfs/dbraw/zinc/99/95/17/569999517.db2.gz WNPRYNCLDJBNLA-OAQYLSRUSA-N 0 0 482.599 2.897 40 0 JFABRN CCOc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1OC ZINC000225492241 569999615 /nfs/dbraw/zinc/99/96/15/569999615.db2.gz PTEPLJRLGHEDQH-UHFFFAOYSA-N 0 0 450.532 2.950 40 0 JFABRN Cc1ccccc1-c1noc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000225493546 569999717 /nfs/dbraw/zinc/99/97/17/569999717.db2.gz PZFLEBRHYRBVOO-UHFFFAOYSA-N 0 0 458.515 2.901 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 ZINC000408660033 569999968 /nfs/dbraw/zinc/99/99/68/569999968.db2.gz UJWFKWRGSDKFIH-HNNXBMFYSA-N 0 0 463.412 2.689 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 ZINC000408660590 570000435 /nfs/dbraw/zinc/00/04/35/570000435.db2.gz USMAIBJYCSWBIG-KRWDZBQOSA-N 0 0 454.479 2.797 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O ZINC000408660644 570000449 /nfs/dbraw/zinc/00/04/49/570000449.db2.gz UXCCVZFQMBREFT-CQSZACIVSA-N 0 0 463.412 2.689 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225505717 570000727 /nfs/dbraw/zinc/00/07/27/570000727.db2.gz XAPJFYJIAFHDMJ-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225508336 570000907 /nfs/dbraw/zinc/00/09/07/570000907.db2.gz HWGCGWHLJPOFHH-WIYYLYMNSA-N 0 0 485.606 2.862 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225508448 570000993 /nfs/dbraw/zinc/00/09/93/570000993.db2.gz HWGCGWHLJPOFHH-RXVVDRJESA-N 0 0 485.606 2.862 40 0 JFABRN COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4cc(C)on4)CC3=O)cc2)cc1 ZINC000408661918 570001337 /nfs/dbraw/zinc/00/13/37/570001337.db2.gz WLETYGQEJNFCHU-MRXNPFEDSA-N 0 0 465.462 3.319 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc1 ZINC000225516412 570001771 /nfs/dbraw/zinc/00/17/71/570001771.db2.gz XVZGUEQBQOQDJY-GOSISDBHSA-N 0 0 470.551 2.852 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225523568 570002263 /nfs/dbraw/zinc/00/22/63/570002263.db2.gz XHDKVXQYGXVMLU-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(OC)cc3)CC2=O)cc1 ZINC000408663454 570002380 /nfs/dbraw/zinc/00/23/80/570002380.db2.gz YHOUOPJBGYJPSC-KRWDZBQOSA-N 0 0 454.479 2.797 40 0 JFABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2C)C1 ZINC000408663465 570002435 /nfs/dbraw/zinc/00/24/35/570002435.db2.gz YJKOJSVHQKPZLZ-IBGZPJMESA-N 0 0 451.523 2.795 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2)cc1 ZINC000408664234 570003008 /nfs/dbraw/zinc/00/30/08/570003008.db2.gz YVHWAVYZCYKFQG-LJQANCHMSA-N 0 0 496.516 2.965 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225536374 570003558 /nfs/dbraw/zinc/00/35/58/570003558.db2.gz DUQRGHAWMOOHEE-KRWDZBQOSA-N 0 0 477.558 2.631 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225540971 570004003 /nfs/dbraw/zinc/00/40/03/570004003.db2.gz WPAZLRDFNXSWFK-WIYYLYMNSA-N 0 0 485.606 2.862 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1 ZINC000225542115 570004202 /nfs/dbraw/zinc/00/42/02/570004202.db2.gz YDIQKVGPMZJUQC-QGZVFWFLSA-N 0 0 488.541 2.944 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225551582 570005122 /nfs/dbraw/zinc/00/51/22/570005122.db2.gz VCAXJJUFMFWFRP-MRXNPFEDSA-N 0 0 491.997 2.817 40 0 JFABRN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225564226 570005948 /nfs/dbraw/zinc/00/59/48/570005948.db2.gz ABIQVVMITLQZRT-UHFFFAOYSA-N 0 0 457.552 2.586 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225581871 570007341 /nfs/dbraw/zinc/00/73/41/570007341.db2.gz ZRVZVPMPBJSQHL-INIZCTEOSA-N 0 0 467.538 2.673 40 0 JFABRN COc1ccc(C2(C(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3)CCOCC2)cc1 ZINC000225584012 570007554 /nfs/dbraw/zinc/00/75/54/570007554.db2.gz VZFWNIVWYBSPMD-UHFFFAOYSA-N 0 0 454.523 2.620 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000225589988 570008200 /nfs/dbraw/zinc/00/82/00/570008200.db2.gz LKHNAVGJNKUMMM-KRWDZBQOSA-N 0 0 496.580 2.520 40 0 JFABRN C[C@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225596217 570008602 /nfs/dbraw/zinc/00/86/02/570008602.db2.gz JROWARJCBDCQRH-CYBMUJFWSA-N 0 0 450.467 2.828 40 0 JFABRN CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1OCC ZINC000225603973 570008804 /nfs/dbraw/zinc/00/88/04/570008804.db2.gz HMJKTVJTVNLYHZ-MRXNPFEDSA-N 0 0 450.557 2.964 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cccc(Br)c1 ZINC000225620027 570010355 /nfs/dbraw/zinc/01/03/55/570010355.db2.gz NALWHPKTIPHFQR-UHFFFAOYSA-N 0 0 469.357 2.660 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000225623479 570010485 /nfs/dbraw/zinc/01/04/85/570010485.db2.gz JYCFARDTDYALTM-GOSISDBHSA-N 0 0 466.556 2.582 40 0 JFABRN COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)NCc1ccccc1 ZINC000408675965 570010574 /nfs/dbraw/zinc/01/05/74/570010574.db2.gz MHOHMMKPNORGFT-UHFFFAOYSA-N 0 0 454.504 2.832 40 0 JFABRN CN(c1cccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1)S(C)(=O)=O ZINC000408680253 570012094 /nfs/dbraw/zinc/01/20/94/570012094.db2.gz QKNIROBBMAPQBY-UHFFFAOYSA-N 0 0 474.004 2.921 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000225648071 570012255 /nfs/dbraw/zinc/01/22/55/570012255.db2.gz AWQJXUSAWXGYKL-UHFFFAOYSA-N 0 0 464.931 2.726 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)c1ccccc1OC ZINC000225665352 570013385 /nfs/dbraw/zinc/01/33/85/570013385.db2.gz MGQVSQQCOFHRQM-KRWDZBQOSA-N 0 0 462.568 2.535 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccc(OC(C)C)cc2)cc1OC ZINC000225678343 570014108 /nfs/dbraw/zinc/01/41/08/570014108.db2.gz PDKXCCFALTYLBV-UHFFFAOYSA-N 0 0 464.584 2.861 40 0 JFABRN Cc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000225686766 570014599 /nfs/dbraw/zinc/01/45/99/570014599.db2.gz QYJICINNZHAFQL-FQEVSTJZSA-N 0 0 459.612 2.745 40 0 JFABRN Cc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225686691 570014626 /nfs/dbraw/zinc/01/46/26/570014626.db2.gz HKYLLKFQQXAUBY-FQEVSTJZSA-N 0 0 459.612 2.745 40 0 JFABRN Cc1cccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000225686732 570014640 /nfs/dbraw/zinc/01/46/40/570014640.db2.gz NEIZXBDRDPCGDT-FQEVSTJZSA-N 0 0 459.612 2.745 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225687675 570014715 /nfs/dbraw/zinc/01/47/15/570014715.db2.gz TUJSJVQBDIXCGS-GOSISDBHSA-N 0 0 463.575 2.576 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225694924 570015439 /nfs/dbraw/zinc/01/54/39/570015439.db2.gz MEGOHCLLJYCEMJ-FQEVSTJZSA-N 0 0 459.612 2.600 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225709763 570016496 /nfs/dbraw/zinc/01/64/96/570016496.db2.gz OXDKBWMJSZDCSY-HXUWFJFHSA-N 0 0 475.611 2.793 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CCc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1 ZINC000225713139 570016827 /nfs/dbraw/zinc/01/68/27/570016827.db2.gz TVWRNKYRJBWZER-UHFFFAOYSA-N 0 0 466.600 2.604 40 0 JFABRN CN(c1cccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1)S(C)(=O)=O ZINC000408694873 570017426 /nfs/dbraw/zinc/01/74/26/570017426.db2.gz IRUXEFAQISDSCO-UHFFFAOYSA-N 0 0 474.004 2.921 40 0 JFABRN CCCn1c2ccc(S(=O)(=O)NCc3ccc(OC)c(OC)c3OC)cc2sc1=O ZINC000225731684 570018459 /nfs/dbraw/zinc/01/84/59/570018459.db2.gz KHDZPKXRCYZKTO-UHFFFAOYSA-N 0 0 452.554 2.977 40 0 JFABRN COC(=O)C1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)CC1 ZINC000225734762 570018625 /nfs/dbraw/zinc/01/86/25/570018625.db2.gz WNQAYLMFGAJHEP-UHFFFAOYSA-N 0 0 479.367 2.671 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)s1 ZINC000225766745 570020635 /nfs/dbraw/zinc/02/06/35/570020635.db2.gz JOGKVGFLMPLTPJ-UHFFFAOYSA-N 0 0 493.032 2.950 40 0 JFABRN COc1ccc2c(c1)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1)CC(C)(C)O2 ZINC000225772699 570020940 /nfs/dbraw/zinc/02/09/40/570020940.db2.gz LSOAJZFNONYBFT-SFHVURJKSA-N 0 0 478.567 2.752 40 0 JFABRN CCNS(=O)(=O)c1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1OCC ZINC000408700474 570021228 /nfs/dbraw/zinc/02/12/28/570021228.db2.gz GPIBJNPJZHVNEV-DHZHZOJOSA-N 0 0 457.596 2.855 40 0 JFABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000408701415 570021915 /nfs/dbraw/zinc/02/19/15/570021915.db2.gz XMNCBVCRIKYFRQ-QGZVFWFLSA-N 0 0 495.623 2.505 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000408701964 570022141 /nfs/dbraw/zinc/02/21/41/570022141.db2.gz IGFFLCNNTTWXIT-UHFFFAOYSA-N 0 0 472.567 2.559 40 0 JFABRN Cc1ccccc1N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O ZINC000225797842 570022228 /nfs/dbraw/zinc/02/22/28/570022228.db2.gz MUEOIMPHTFIKIQ-UHFFFAOYSA-N 0 0 479.624 2.964 40 0 JFABRN Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000225814512 570023119 /nfs/dbraw/zinc/02/31/19/570023119.db2.gz TXQWHINBOLSGHW-UHFFFAOYSA-N 0 0 471.501 2.967 40 0 JFABRN C[C@@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408703403 570023211 /nfs/dbraw/zinc/02/32/11/570023211.db2.gz FRTHYMVODNEOMV-INIZCTEOSA-N 0 0 499.545 2.774 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000408704151 570023790 /nfs/dbraw/zinc/02/37/90/570023790.db2.gz XZGYPRNXUFZXKX-QGZVFWFLSA-N 0 0 487.578 2.641 40 0 JFABRN CC(C)CNC(=O)c1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000408704367 570023897 /nfs/dbraw/zinc/02/38/97/570023897.db2.gz MNLFKVPCCVAPEP-UHFFFAOYSA-N 0 0 475.567 2.986 40 0 JFABRN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)N(c1ccc3c(c1)OCCO3)S(C)(=O)=O)CCCC2 ZINC000408704767 570024224 /nfs/dbraw/zinc/02/42/24/570024224.db2.gz SNGAZLWJYDBVKW-CYBMUJFWSA-N 0 0 494.591 2.978 40 0 JFABRN Cc1cccc(N2CCN(C(=O)[C@@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)CC2)c1C ZINC000408705071 570024366 /nfs/dbraw/zinc/02/43/66/570024366.db2.gz XTDNZVHYZUOOTK-LJQANCHMSA-N 0 0 473.595 2.578 40 0 JFABRN CN(c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1)S(C)(=O)=O ZINC000225844908 570024457 /nfs/dbraw/zinc/02/44/57/570024457.db2.gz BHVZQBVNQYYCPO-UHFFFAOYSA-N 0 0 495.623 2.665 40 0 JFABRN CCCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1 ZINC000225857291 570025153 /nfs/dbraw/zinc/02/51/53/570025153.db2.gz ACAIHFSFYSJHQI-UHFFFAOYSA-N 0 0 463.006 2.967 40 0 JFABRN COc1cc(CNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc(OC)c1OC ZINC000225864110 570025522 /nfs/dbraw/zinc/02/55/22/570025522.db2.gz MSFVLDWCOQUYSX-UHFFFAOYSA-N 0 0 478.552 2.603 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1F ZINC000225865166 570025566 /nfs/dbraw/zinc/02/55/66/570025566.db2.gz WUHXROHBDUNMNC-UHFFFAOYSA-N 0 0 452.895 2.607 40 0 JFABRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000408713883 570025711 /nfs/dbraw/zinc/02/57/11/570025711.db2.gz BXGXYTOJPFORLF-UHFFFAOYSA-N 0 0 479.356 2.778 40 0 JFABRN CN([C@@H](C(=O)NCc1nc(-c2cccc(Br)c2)no1)c1ccccc1)S(C)(=O)=O ZINC000225879920 570026267 /nfs/dbraw/zinc/02/62/67/570026267.db2.gz AZFQASDETPFIET-QGZVFWFLSA-N 0 0 479.356 2.748 40 0 JFABRN C[C@@H]1C[C@@H](C)CN(c2cc(N3CCCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225903500 570026535 /nfs/dbraw/zinc/02/65/35/570026535.db2.gz MKCASGNJAVRCMU-RTBURBONSA-N 0 0 461.680 2.568 40 0 JFABRN C[C@@H]1C[C@H](C)CN(c2cc(N3CCCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225903512 570026577 /nfs/dbraw/zinc/02/65/77/570026577.db2.gz MKCASGNJAVRCMU-KDURUIRLSA-N 0 0 461.680 2.568 40 0 JFABRN O=c1/c(=C/c2cc(Br)c(O)cc2O)sc2nc3cc(Br)cnc3n12 ZINC000408721736 570027032 /nfs/dbraw/zinc/02/70/32/570027032.db2.gz XYCJIWHZAZEKQR-OIXVIMQBSA-N 0 0 469.114 2.788 40 0 JFABRN COCCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2cc(F)ccc2Cl)cn1 ZINC000225923712 570027948 /nfs/dbraw/zinc/02/79/48/570027948.db2.gz PBAIHJHZOVCCKZ-UHFFFAOYSA-N 0 0 459.927 2.736 40 0 JFABRN CCN(CC(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1cc(C)ccc1C ZINC000225931287 570028291 /nfs/dbraw/zinc/02/82/91/570028291.db2.gz ZCWYNDZIOIIYTH-UHFFFAOYSA-N 0 0 464.584 2.998 40 0 JFABRN Cc1ccc(C)c(S(=O)(=O)N(CC(=O)NCCSc2nc[nH]n2)Cc2ccccc2)c1 ZINC000225935515 570028455 /nfs/dbraw/zinc/02/84/55/570028455.db2.gz VFSKCPVRRXPCSL-UHFFFAOYSA-N 0 0 459.597 2.521 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3ccco3)sc2=N[C@H]1c1ccc(O)c(OCC)c1 ZINC000408731421 570029212 /nfs/dbraw/zinc/02/92/12/570029212.db2.gz KKBKYVNPPMQIGH-YWFITGJYSA-N 0 0 454.504 2.605 40 0 JFABRN CCOC(=O)COc1ccc(NC(=O)[C@]2(C)CCCN(c3ccc(OC)cc3)S2(=O)=O)cc1 ZINC000225951997 570029505 /nfs/dbraw/zinc/02/95/05/570029505.db2.gz WMIHCJCTXFUEIE-QHCPKHFHSA-N 0 0 476.551 2.965 40 0 JFABRN COc1ccc([C@H](CC(=O)Nc2ccc(I)cc2)NS(C)(=O)=O)cc1 ZINC000225955748 570029573 /nfs/dbraw/zinc/02/95/73/570029573.db2.gz KMWVEIPOTVUNEB-INIZCTEOSA-N 0 0 474.320 2.919 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 ZINC000225972055 570030396 /nfs/dbraw/zinc/03/03/96/570030396.db2.gz CMUMHOJOJMHUKG-UHFFFAOYSA-N 0 0 459.977 2.547 40 0 JFABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCC(=O)OCc2ccccc2)cc1 ZINC000408738429 570031117 /nfs/dbraw/zinc/03/11/17/570031117.db2.gz SHOCOKZEQXTJFZ-HSZRJFAPSA-N 0 0 466.559 2.744 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738450 570031224 /nfs/dbraw/zinc/03/12/24/570031224.db2.gz KVSSHVZPPDQJOL-PZHBDVNGSA-N 0 0 494.569 2.911 40 0 JFABRN S=C(NCC1(c2ccccc2)CCOCC1)Nc1nc(N2CCCC2)cc(N2CCOCC2)n1 ZINC000225992177 570031387 /nfs/dbraw/zinc/03/13/87/570031387.db2.gz MVAOUDDEVJSXCB-UHFFFAOYSA-N 0 0 482.654 2.948 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408739234 570031471 /nfs/dbraw/zinc/03/14/71/570031471.db2.gz UKEJRYALBWFIMX-PZHBDVNGSA-N 0 0 464.543 2.903 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000226001952 570031882 /nfs/dbraw/zinc/03/18/82/570031882.db2.gz GFILYWWKDUZRSD-DEOSSOPVSA-N 0 0 493.585 2.726 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccccc2)cc1OC ZINC000226010985 570032477 /nfs/dbraw/zinc/03/24/77/570032477.db2.gz NFRVXTBMIORTNX-UHFFFAOYSA-N 0 0 497.573 2.561 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)C2CCCCC2)cc1OC ZINC000226013414 570032756 /nfs/dbraw/zinc/03/27/56/570032756.db2.gz BWISIXKZHGGRDM-UHFFFAOYSA-N 0 0 489.594 2.694 40 0 JFABRN S=C(NCc1ccc2c(c1)OCCO2)Nc1nc(Sc2ncccn2)cc(N2CCOCC2)n1 ZINC000226014790 570032889 /nfs/dbraw/zinc/03/28/89/570032889.db2.gz DLNNVZGLEBGNRN-UHFFFAOYSA-N 0 0 497.606 2.512 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000226026938 570033296 /nfs/dbraw/zinc/03/32/96/570033296.db2.gz QTUTVIUOSPQOBW-HSZRJFAPSA-N 0 0 498.532 2.984 40 0 JFABRN Cc1nc(SCCNC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC000226031380 570033545 /nfs/dbraw/zinc/03/35/45/570033545.db2.gz LYKXKXWLFZHXMN-UHFFFAOYSA-N 0 0 473.624 2.829 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCNc2ccnc3cc(Cl)ccc32)cc1 ZINC000226035639 570033635 /nfs/dbraw/zinc/03/36/35/570033635.db2.gz VMSQMUCUVAKOCY-UHFFFAOYSA-N 0 0 462.959 2.746 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(CC(N)=O)cc1)c1ccccc1 ZINC000226049470 570034272 /nfs/dbraw/zinc/03/42/72/570034272.db2.gz MOMFCURNTFQBDE-UHFFFAOYSA-N 0 0 467.547 2.865 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCSc2n[nH]c(C)n2)Cc2ccccc2)cc1 ZINC000226064537 570035311 /nfs/dbraw/zinc/03/53/11/570035311.db2.gz ACBZAZSXBBRVEJ-UHFFFAOYSA-N 0 0 489.623 2.611 40 0 JFABRN CCN(CC(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1cc(F)ccc1OC ZINC000226069421 570035541 /nfs/dbraw/zinc/03/55/41/570035541.db2.gz CXRUXLCRSRUHOC-UHFFFAOYSA-N 0 0 484.546 2.529 40 0 JFABRN CCN(CC(=O)NCc1c(OC)cccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000226070927 570035646 /nfs/dbraw/zinc/03/56/46/570035646.db2.gz HHXSSPXNHDJHON-UHFFFAOYSA-N 0 0 456.948 2.693 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)c2)n1 ZINC000226077461 570036253 /nfs/dbraw/zinc/03/62/53/570036253.db2.gz YJZCEGPBVAPARI-UHFFFAOYSA-N 0 0 452.536 2.785 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408769523 570038734 /nfs/dbraw/zinc/03/87/34/570038734.db2.gz NJXGEYGPPRZVAI-LJJBLSSYSA-N 0 0 492.553 2.732 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408776136 570040311 /nfs/dbraw/zinc/04/03/11/570040311.db2.gz MHPYLKVCLHTVMX-XGHXRCDJSA-N 0 0 456.545 2.574 40 0 JFABRN C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N=c1sccn1Cc1ccccc1Cl)CS2 ZINC000229844345 570041437 /nfs/dbraw/zinc/04/14/37/570041437.db2.gz VOVRVDLIVWZDBU-NBNPCXBWSA-N 0 0 465.984 2.676 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(c2cccnc2)C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3)[C@@]3(C)C=C[C@@]12O3 ZINC000231618675 570046632 /nfs/dbraw/zinc/04/66/32/570046632.db2.gz CXXRAQWRKZUDLF-SIBACELJSA-N 0 0 460.534 2.680 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(Cc2cccnc2)C(=O)[C@@H]2[C@@H](C(=O)Nc3ccccc3F)[C@@]3(C)C=C[C@@]12O3 ZINC000231613379 570046659 /nfs/dbraw/zinc/04/66/59/570046659.db2.gz CHVLMVOAOQLBBG-BXBNNYIQSA-N 0 0 492.551 2.815 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)oc(C)c(-c2cscn2)c3=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238924037 570048049 /nfs/dbraw/zinc/04/80/49/570048049.db2.gz QLPBVUOEXHYSIY-ZYMCBDGHSA-N 0 0 589.575 2.687 40 0 JFABRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(O)cc4)N[C@@](CCSC)(C(=O)OC)[C@H]3C2=O)cc1 ZINC000245229646 570056063 /nfs/dbraw/zinc/05/60/63/570056063.db2.gz CJNJMFNRNBHDNJ-UGCAPWQASA-N 0 0 484.574 2.906 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(c2cccnc2)C(=O)[C@H]2[C@H](C(=O)Nc3ccccc3)[C@@]3(C)C=C[C@@]12O3 ZINC000245229681 570056223 /nfs/dbraw/zinc/05/62/23/570056223.db2.gz CXXRAQWRKZUDLF-XCTUXTECSA-N 0 0 460.534 2.680 40 0 JFABRN CCC[C@]1(C(=O)OC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000245230375 570056464 /nfs/dbraw/zinc/05/64/64/570056464.db2.gz QDNNJANLDZUYRT-SRCYTUNASA-N 0 0 496.516 2.595 40 0 JFABRN CC(C)CN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NCc1ccccc1 ZINC000245230515 570056620 /nfs/dbraw/zinc/05/66/20/570056620.db2.gz TUSAMHOPZWSNTH-PUJHRNRVSA-N 0 0 477.536 2.887 40 0 JFABRN CC(=O)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1I ZINC000408917129 570075624 /nfs/dbraw/zinc/07/56/24/570075624.db2.gz NGHLSUAZVPYBFT-SXGWCWSVSA-N 0 0 462.268 2.987 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408927631 570078925 /nfs/dbraw/zinc/07/89/25/570078925.db2.gz QWKXWSBNUWFCHG-QCHPHUCNSA-N 0 0 492.553 2.926 40 0 JFABRN O=C(O[C@H](CO)[C@H](OC(=O)c1ccccc1)[C@@H](O)[C@H]1COC2(CCCCC2)O1)c1ccccc1 ZINC000252429384 570080390 /nfs/dbraw/zinc/08/03/90/570080390.db2.gz JJEBFUXIGCYODM-LUKWVAJMSA-N 0 0 470.518 2.867 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4O)c(=O)n32)cc1OCC ZINC000408932469 570080544 /nfs/dbraw/zinc/08/05/44/570080544.db2.gz CFFHLPIIKQGOLH-YRUATGHUSA-N 0 0 480.542 2.521 40 0 JFABRN O=C(c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1)N1CCN(c2ccccn2)CC1 ZINC000408974266 570089349 /nfs/dbraw/zinc/08/93/49/570089349.db2.gz DRDCNDZGWLSTDJ-UHFFFAOYSA-N 0 0 464.485 2.788 40 0 JFABRN Cn1c(SCC(=O)N2CCN(c3nc4ccccc4s3)CC2)nc2ccccc2c1=O ZINC000408980238 570090744 /nfs/dbraw/zinc/09/07/44/570090744.db2.gz FEPPLRINAXSMDQ-UHFFFAOYSA-N 0 0 451.577 2.984 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408981466 570090934 /nfs/dbraw/zinc/09/09/34/570090934.db2.gz HRCJXGMKVFJTBQ-OXRZLYTFSA-N 0 0 486.571 2.583 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408986774 570092542 /nfs/dbraw/zinc/09/25/42/570092542.db2.gz PDQJRHCQZYEPDX-CYEGBWLXSA-N 0 0 470.572 2.877 40 0 JFABRN CC(C)(C)CN1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[C@@H](O)C2)C(=O)C1 ZINC000253404517 570096824 /nfs/dbraw/zinc/09/68/24/570096824.db2.gz RCCUDXFVRXNDHH-RWJYYPQGSA-N 0 0 483.653 2.931 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000409004082 570097341 /nfs/dbraw/zinc/09/73/41/570097341.db2.gz NZDWBOAJVNEZGL-UHFFFAOYSA-N 0 0 473.595 2.529 40 0 JFABRN C[C@@H]1CCCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000253499981 570101151 /nfs/dbraw/zinc/10/11/51/570101151.db2.gz BRPYVDXPMKQHJZ-IUSZMWJPSA-N 0 0 452.515 2.656 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](C(C)C)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500371 570101496 /nfs/dbraw/zinc/10/14/96/570101496.db2.gz ICVLWVLRTVCBHR-NFBKMPQASA-N 0 0 498.584 2.877 40 0 JFABRN COCCn1nnnc1[C@H](C(C)C)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500352 570101563 /nfs/dbraw/zinc/10/15/63/570101563.db2.gz FZEOVGWFIBJPOW-XXBNENTESA-N 0 0 498.584 2.723 40 0 JFABRN COC(=O)[C@H](C)[C@H]1c2cc(Br)cc(Br)c2OC(=O)[C@H]1C(=O)OC ZINC000253608917 570104530 /nfs/dbraw/zinc/10/45/30/570104530.db2.gz WTTLFVLYQYOQPQ-LIEZGIJOSA-N 0 0 450.079 2.813 40 0 JFABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1O ZINC000409033461 570106154 /nfs/dbraw/zinc/10/61/54/570106154.db2.gz LJIRDBVDOPYZIR-PZHBDVNGSA-N 0 0 464.543 2.903 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(NC(C)=O)cc3)sc2=N1 ZINC000409035906 570106575 /nfs/dbraw/zinc/10/65/75/570106575.db2.gz UPIYZLZUBOJZKO-PZHBDVNGSA-N 0 0 461.543 2.757 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cccc(OC(C)=O)c3)sc2=N1 ZINC000409037076 570106837 /nfs/dbraw/zinc/10/68/37/570106837.db2.gz SHFMCPNZZRAKMQ-FGGAIWKESA-N 0 0 462.527 2.724 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc4c(c3)OCCO4)sc2=N1 ZINC000409038948 570107088 /nfs/dbraw/zinc/10/70/88/570107088.db2.gz PXZXCGFEQLRILF-FGGAIWKESA-N 0 0 462.527 2.570 40 0 JFABRN COc1ccccc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257202836 570108668 /nfs/dbraw/zinc/10/86/68/570108668.db2.gz ANQJPGLSLUQELT-REWPJTCUSA-N 0 0 451.567 2.769 40 0 JFABRN COc1cccc(OC)c1C(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000409050845 570109773 /nfs/dbraw/zinc/10/97/73/570109773.db2.gz BCIFXKLQBYJFIO-UHFFFAOYSA-N 0 0 495.576 2.629 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OC(C)=O)c(OC)c3)sc2=N1 ZINC000409050627 570109782 /nfs/dbraw/zinc/10/97/82/570109782.db2.gz XXLARDMGCCJASF-LJJBLSSYSA-N 0 0 492.553 2.732 40 0 JFABRN O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCOC[C@H](Cc2cccn3nccc23)C1 ZINC000257206963 570110028 /nfs/dbraw/zinc/11/00/28/570110028.db2.gz BFQYHMKOPUIYDD-LJQANCHMSA-N 0 0 468.579 2.596 40 0 JFABRN O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCOC[C@@H](Cc2cccn3nccc23)C1 ZINC000257206962 570110037 /nfs/dbraw/zinc/11/00/37/570110037.db2.gz BFQYHMKOPUIYDD-IBGZPJMESA-N 0 0 468.579 2.596 40 0 JFABRN COc1cccc(C(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1 ZINC000409052673 570110469 /nfs/dbraw/zinc/11/04/69/570110469.db2.gz VIFNQBWJQVYPGC-UHFFFAOYSA-N 0 0 465.550 2.621 40 0 JFABRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1 ZINC000409055177 570111358 /nfs/dbraw/zinc/11/13/58/570111358.db2.gz WXDBTVAGFHVZFZ-UHFFFAOYSA-N 0 0 495.576 2.629 40 0 JFABRN COc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cc1F ZINC000257216369 570113045 /nfs/dbraw/zinc/11/30/45/570113045.db2.gz CUGALULFUDLKEZ-REWPJTCUSA-N 0 0 469.557 2.908 40 0 JFABRN Cc1cc(C)nc(NCCC(=O)N2CCC[C@H]2c2ccnc3c(C(=O)NC4CCCC4)cnn32)n1 ZINC000257219015 570113922 /nfs/dbraw/zinc/11/39/22/570113922.db2.gz DFGNMEIZPFVOJM-FQEVSTJZSA-N 0 0 476.585 2.974 40 0 JFABRN Cc1cc(C)nc(NCCC(=O)N2CCC[C@@H]2c2ccnc3c(C(=O)NC4CCCC4)cnn32)n1 ZINC000257219016 570113934 /nfs/dbraw/zinc/11/39/34/570113934.db2.gz DFGNMEIZPFVOJM-HXUWFJFHSA-N 0 0 476.585 2.974 40 0 JFABRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC)cc3)N(CC(=O)OC)C2=S)cc1 ZINC000409060717 570113999 /nfs/dbraw/zinc/11/39/99/570113999.db2.gz UJGDOWMFBDQWAB-MOSHPQCFSA-N 0 0 468.531 2.948 40 0 JFABRN C[C@]1(O)CN(C(=O)c2ccc(OCCN3CCCC3=O)cc2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257222558 570114874 /nfs/dbraw/zinc/11/48/74/570114874.db2.gz DTSPRCGMIQVZBC-DHLKQENFSA-N 0 0 456.514 2.871 40 0 JFABRN O=C(c1cccc(Cn2cncn2)c1)N1CC[C@H]2NC(=O)COc3ccccc3C/C=C/C[C@H]2C1 ZINC000257224144 570115259 /nfs/dbraw/zinc/11/52/59/570115259.db2.gz FAMMWLKELMICTL-FECQFBLHSA-N 0 0 471.561 2.855 40 0 JFABRN CC(=O)N1CCN(Cc2cccc(OCCn3ccnc3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000257224867 570115582 /nfs/dbraw/zinc/11/55/82/570115582.db2.gz FDTBILGAGNJLCO-MHZLTWQESA-N 0 0 478.593 2.745 40 0 JFABRN COc1ccccc1CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)CCn1cncn1 ZINC000257229924 570116980 /nfs/dbraw/zinc/11/69/80/570116980.db2.gz GAABUBSTQCWJGK-HQTOUJSTSA-N 0 0 499.999 2.528 40 0 JFABRN CCc1nc(C)c(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)[nH]1 ZINC000257231064 570117392 /nfs/dbraw/zinc/11/73/92/570117392.db2.gz GFBBECZIGDZULG-DEOSSOPVSA-N 0 0 477.005 2.833 40 0 JFABRN Cn1c2ccccc2n(CC(=O)N2[C@@H](Cc3ccc(F)cc3)C[C@H]3NC(=O)CCCC[C@@H]32)c1=O ZINC000257234609 570118471 /nfs/dbraw/zinc/11/84/71/570118471.db2.gz GUILUCPMTDPTPK-HBMCJLEFSA-N 0 0 464.541 2.750 40 0 JFABRN Cc1cc(N(C)C)nc([C@@]2(C)CCCN(C(=O)C(C)(C)NC(=O)COc3ccccc3)C2)n1 ZINC000257234819 570118477 /nfs/dbraw/zinc/11/84/77/570118477.db2.gz GVFRMQJNMILJGQ-VWLOTQADSA-N 0 0 453.587 2.705 40 0 JFABRN Cc1cc(NC(=O)CN2CCCC[C@H]2c2nc(C)cc(Oc3ccc(C(N)=O)cc3)n2)nn1C ZINC000257235106 570118608 /nfs/dbraw/zinc/11/86/08/570118608.db2.gz GWLKHJCPZPFLLS-IBGZPJMESA-N 0 0 463.542 2.884 40 0 JFABRN Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)CCc3nc4cc(Cl)ccc4n3C)C2)ncn1 ZINC000257236781 570119142 /nfs/dbraw/zinc/11/91/42/570119142.db2.gz HDTJPWVTBWGRJI-HSZRJFAPSA-N 0 0 456.978 2.748 40 0 JFABRN CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(C(=O)CCNS(C)(=O)=O)C[C@@H]3C[C@@H]21 ZINC000257245336 570121584 /nfs/dbraw/zinc/12/15/84/570121584.db2.gz IPABIZNGGNKPSA-VZYKRBATSA-N 0 0 456.992 2.745 40 0 JFABRN CN(C(=O)CCCc1nc2cc(Cl)ccc2[nH]1)[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257245658 570121667 /nfs/dbraw/zinc/12/16/67/570121667.db2.gz IQMVHWBVNLWQBX-FIKGOQFSSA-N 0 0 482.976 2.874 40 0 JFABRN Cc1ocnc1C(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257248127 570122658 /nfs/dbraw/zinc/12/26/58/570122658.db2.gz JCFIYAMUFXVWDG-LPHOPBHVSA-N 0 0 492.370 2.904 40 0 JFABRN O=C(C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1 ZINC000257249493 570123099 /nfs/dbraw/zinc/12/30/99/570123099.db2.gz JIPYZOCLPVSUTE-RXVVDRJESA-N 0 0 470.497 2.713 40 0 JFABRN Cn1cc(-c2cc(C(=O)N3CCC[C@@]4(CN(Cc5ccccc5)C(=O)CO4)CC3)ccn2)cn1 ZINC000257253839 570124419 /nfs/dbraw/zinc/12/44/19/570124419.db2.gz KALBFANTVFCQAV-SANMLTNESA-N 0 0 459.550 2.906 40 0 JFABRN Cn1nccc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1 ZINC000257254537 570124507 /nfs/dbraw/zinc/12/45/07/570124507.db2.gz KDOLDDKFEJYJFR-UHFFFAOYSA-N 0 0 460.962 2.624 40 0 JFABRN COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC ZINC000409094050 570125917 /nfs/dbraw/zinc/12/59/17/570125917.db2.gz CTSDYXKMXACPEK-RQZCQDPDSA-N 0 0 487.896 2.740 40 0 JFABRN CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000257261264 570126742 /nfs/dbraw/zinc/12/67/42/570126742.db2.gz LGLVUNDYYWCVDD-QGZVFWFLSA-N 0 0 496.955 2.564 40 0 JFABRN Cc1c(CCC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCOCC3)C2)cnn1C ZINC000257261810 570126880 /nfs/dbraw/zinc/12/68/80/570126880.db2.gz LIXDDDIGXVWXEF-REWPJTCUSA-N 0 0 489.016 2.860 40 0 JFABRN Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCC(=O)[O-])cc3)C2)c2cnccc2n1 ZINC000257261910 570126910 /nfs/dbraw/zinc/12/69/10/570126910.db2.gz LJGYTCQTNVAPHK-VWLOTQADSA-N 0 0 464.522 2.505 40 0 JFABRN Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCC(=O)[O-])cc3)C2)c2cnccc2n1 ZINC000257261909 570126940 /nfs/dbraw/zinc/12/69/40/570126940.db2.gz LJGYTCQTNVAPHK-RUZDIDTESA-N 0 0 464.522 2.505 40 0 JFABRN O=C(C[C@H]1CN(C(=O)c2n[nH]c3ccccc32)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1 ZINC000257263140 570127402 /nfs/dbraw/zinc/12/74/02/570127402.db2.gz LOPHTTJIWWCXTP-JTSKRJEESA-N 0 0 466.513 2.861 40 0 JFABRN O=C(CCN1CCCC1=O)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)CC1 ZINC000257265918 570128275 /nfs/dbraw/zinc/12/82/75/570128275.db2.gz MAWSMSHAZCBZRM-UHFFFAOYSA-N 0 0 492.016 2.589 40 0 JFABRN Cn1ccc(C(=O)Nc2ccccc2C(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)O3)C2)n1 ZINC000257267432 570128678 /nfs/dbraw/zinc/12/86/78/570128678.db2.gz MHHIWVWITDVKAY-VWLOTQADSA-N 0 0 459.506 2.910 40 0 JFABRN CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OCC ZINC000409107847 570130979 /nfs/dbraw/zinc/13/09/79/570130979.db2.gz RJAYKPZNHFGKNW-XDHOZWIPSA-N 0 0 481.505 2.867 40 0 JFABRN CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCC(=O)N2CCNC(=O)C2(C)C)n1 ZINC000257276999 570131724 /nfs/dbraw/zinc/13/17/24/570131724.db2.gz NWAREGBFGVTFGB-IBGZPJMESA-N 0 0 466.586 2.571 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1ccccc1 ZINC000409114263 570133377 /nfs/dbraw/zinc/13/33/77/570133377.db2.gz GRLPFFZAIKSTFB-LAFOYAEKSA-N 0 0 479.945 2.774 40 0 JFABRN CC(=O)Nc1ccc2nc(NC(=O)CN3CCC4(CN(S(C)(=O)=O)C(C)(C)C4)CC3)sc2c1 ZINC000257283533 570133726 /nfs/dbraw/zinc/13/37/26/570133726.db2.gz OYTDHDPGXMDGBH-UHFFFAOYSA-N 0 0 493.655 2.719 40 0 JFABRN COc1ccc([C@@H]2CN(C(=O)C(C)(C)NC(=O)Cc3ccccc3F)CCN2C(C)=O)cc1 ZINC000257284430 570133949 /nfs/dbraw/zinc/13/39/49/570133949.db2.gz PCRMSFLRZCLCMH-QFIPXVFZSA-N 0 0 455.530 2.704 40 0 JFABRN CC1(C)CC2(CN1S(C)(=O)=O)CCN(CC(=O)Nc1ccc(Br)cc1)CC2 ZINC000257285743 570134347 /nfs/dbraw/zinc/13/43/47/570134347.db2.gz PIPJYRDXGVBGJD-UHFFFAOYSA-N 0 0 458.422 2.914 40 0 JFABRN CN(C(=O)CCn1ccccc1=O)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257287683 570134851 /nfs/dbraw/zinc/13/48/51/570134851.db2.gz PRBPLXGEUYIBJI-YFSQZJJESA-N 0 0 468.594 2.694 40 0 JFABRN Cc1cccnc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257289310 570135416 /nfs/dbraw/zinc/13/54/16/570135416.db2.gz PYCBEZMHHVAULC-UGKGYDQZSA-N 0 0 454.546 2.603 40 0 JFABRN Cc1cc(C)n(CC(=O)N2CCC3(C[C@H](Cc4ccccc4)N(CC(C)C)C3=O)CC2)c(=O)n1 ZINC000257291617 570135939 /nfs/dbraw/zinc/13/59/39/570135939.db2.gz QHWHSSJEXQFVET-QHCPKHFHSA-N 0 0 464.610 2.969 40 0 JFABRN COc1ccccc1N(CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1)S(C)(=O)=O ZINC000409123315 570136729 /nfs/dbraw/zinc/13/67/29/570136729.db2.gz GCBBUIIPGONIKK-UHFFFAOYSA-N 0 0 451.976 2.772 40 0 JFABRN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 ZINC000257294995 570136932 /nfs/dbraw/zinc/13/69/32/570136932.db2.gz QWNQVTWJVBQMNC-ZEQRLZLVSA-N 0 0 473.577 2.599 40 0 JFABRN CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)CCCNc3ncccn3)ccc2c1N ZINC000257303808 570139502 /nfs/dbraw/zinc/13/95/02/570139502.db2.gz SIUDONDJAIUCDR-MRXNPFEDSA-N 0 0 453.572 2.974 40 0 JFABRN Cn1c2ccc(NC(=O)CN3CC[C@]4(CCCO4)[C@H](OCc4ccccc4)C3)cc2n(C)c1=O ZINC000257304306 570139581 /nfs/dbraw/zinc/13/95/81/570139581.db2.gz SKZBFHRUHAFSRA-ZEQKJWHPSA-N 0 0 464.566 2.656 40 0 JFABRN Cc1csc(Nc2cccc(C(=O)N3CC[C@H](n4cc(C)c(=O)[nH]c4=O)[C@@](C)(O)C3)c2)n1 ZINC000257309601 570141237 /nfs/dbraw/zinc/14/12/37/570141237.db2.gz UBOMKIRAFYLQIA-JTSKRJEESA-N 0 0 455.540 2.604 40 0 JFABRN Cc1sc(NC(=O)CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)[O-])c3)C2)nc1-c1ccccc1 ZINC000257311061 570141692 /nfs/dbraw/zinc/14/16/92/570141692.db2.gz UHUCCWLGVVXUOM-RTBURBONSA-N 0 0 453.520 2.879 40 0 JFABRN COC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)c1 ZINC000409135374 570142038 /nfs/dbraw/zinc/14/20/38/570142038.db2.gz UQVAMCXCKKSAJJ-CQSZACIVSA-N 0 0 453.524 2.824 40 0 JFABRN O=C(CCc1cccnc1)N1CCC2(CC1)C/C=C/COc1ccccc1C(=O)NCCNC2=O ZINC000257312665 570142240 /nfs/dbraw/zinc/14/22/40/570142240.db2.gz UPASOSLHGAEELS-ONEGZZNKSA-N 0 0 476.577 2.508 40 0 JFABRN Cc1ncoc1C(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257316128 570143341 /nfs/dbraw/zinc/14/33/41/570143341.db2.gz VEGFANSTZPJCAQ-LPHOPBHVSA-N 0 0 492.370 2.904 40 0 JFABRN CNC(=O)c1cccc([C@H]2CN(C(C)=O)CCN2C(=O)c2cccnc2Oc2ccc(C)nc2)c1 ZINC000257317859 570143817 /nfs/dbraw/zinc/14/38/17/570143817.db2.gz VLMLGGUQXJLZGG-HSZRJFAPSA-N 0 0 473.533 2.983 40 0 JFABRN COc1ccc([C@H]2CN(C(=O)c3cc(C)nc(C4(C)CCN(C(C)=O)CC4)n3)CCN2C)cc1 ZINC000257322150 570145082 /nfs/dbraw/zinc/14/50/82/570145082.db2.gz WETRCNNEBLPCNP-HSZRJFAPSA-N 0 0 465.598 2.823 40 0 JFABRN COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1OC ZINC000409146425 570147148 /nfs/dbraw/zinc/14/71/48/570147148.db2.gz STHCPNHVRZKTJC-UHFFFAOYSA-N 0 0 498.601 2.963 40 0 JFABRN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCCCN2CC(=O)NCc2ccccn2)n1 ZINC000257328934 570147259 /nfs/dbraw/zinc/14/72/59/570147259.db2.gz XHRRAYNURNANRO-JOCHJYFZSA-N 0 0 473.581 2.547 40 0 JFABRN CC(C)(NC(=O)Cc1cccc(F)c1)C(=O)N1CCOC[C@@H](Cc2ccc3nccn3c2)C1 ZINC000257334662 570148842 /nfs/dbraw/zinc/14/88/42/570148842.db2.gz YGWNGNVHMUJQCG-FQEVSTJZSA-N 0 0 452.530 2.628 40 0 JFABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4ccccc4F)CCOCC3)CCN2C(C)=O)c1 ZINC000257336062 570149334 /nfs/dbraw/zinc/14/93/34/570149334.db2.gz YMZWIOLATAECOE-QHCPKHFHSA-N 0 0 467.541 2.666 40 0 JFABRN CN(C)Cc1nnnn1-c1cccc(C(=O)N2CCC[C@H]2c2nc(Cc3ccc(F)cc3)n[nH]2)c1 ZINC000257335874 570149341 /nfs/dbraw/zinc/14/93/41/570149341.db2.gz YMGRHJIALZDAOR-FQEVSTJZSA-N 0 0 475.532 2.549 40 0 JFABRN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CN(CC(=O)Nc1cc(C)ccc1F)CC2 ZINC000257336113 570149346 /nfs/dbraw/zinc/14/93/46/570149346.db2.gz YNGAZPICXSXXFF-LPPUWEFUSA-N 0 0 466.557 2.873 40 0 JFABRN CNC(=O)[C@@H]1CN(C(=O)c2ccccc2Nc2nc(C)cc(C)n2)CCN1Cc1ccccc1 ZINC000257338281 570150032 /nfs/dbraw/zinc/15/00/32/570150032.db2.gz YWSLGXMNCYKOBS-QHCPKHFHSA-N 0 0 458.566 2.910 40 0 JFABRN CN1CCN(C(=O)c2ccnc(-c3cncnc3)c2)C[C@@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000257340374 570150557 /nfs/dbraw/zinc/15/05/57/570150557.db2.gz ZFTAUTKDODBVEL-XMMPIXPASA-N 0 0 471.565 2.534 40 0 JFABRN O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(I)cc1 ZINC000409160307 570151822 /nfs/dbraw/zinc/15/18/22/570151822.db2.gz GDNPFGNMMQOHEQ-UHFFFAOYSA-N 0 0 495.136 2.971 40 0 JFABRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ncc(C)s3)n2C)cc1 ZINC000409160471 570151916 /nfs/dbraw/zinc/15/19/16/570151916.db2.gz QCZKCLHXTMLDSE-AWEZNQCLSA-N 0 0 474.612 2.957 40 0 JFABRN CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@@H](OC(=O)/C=C(\C)C(C)C)C[C@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@@]12O ZINC000257578865 570153986 /nfs/dbraw/zinc/15/39/86/570153986.db2.gz VWLXIXALPNYWFH-JPAOJYSWSA-N 0 0 490.637 2.984 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1 ZINC000409171027 570154847 /nfs/dbraw/zinc/15/48/47/570154847.db2.gz YNNWACLGFTZGDW-UHFFFAOYSA-N 0 0 467.551 2.961 40 0 JFABRN COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260725510 570155374 /nfs/dbraw/zinc/15/53/74/570155374.db2.gz XNMUJLQRKXUINY-HXUWFJFHSA-N 0 0 489.638 2.646 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c2ccccc2O1 ZINC000260728406 570155423 /nfs/dbraw/zinc/15/54/23/570155423.db2.gz AWCRHEUYGHANGY-SIKLNZKXSA-N 0 0 486.590 2.980 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260730681 570155544 /nfs/dbraw/zinc/15/55/44/570155544.db2.gz KGJSEIUZBVZQCJ-GOSISDBHSA-N 0 0 463.575 2.697 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260737252 570155812 /nfs/dbraw/zinc/15/58/12/570155812.db2.gz LQXWFIGJTZMENU-QGZVFWFLSA-N 0 0 479.574 2.542 40 0 JFABRN COc1ccccc1N(CCCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)S(C)(=O)=O ZINC000260743528 570156166 /nfs/dbraw/zinc/15/61/66/570156166.db2.gz KGZXTWVAUVMWDR-GOSISDBHSA-N 0 0 489.594 2.789 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1OC ZINC000260746192 570156220 /nfs/dbraw/zinc/15/62/20/570156220.db2.gz QQORFPLJNOPERQ-HSZRJFAPSA-N 0 0 468.531 2.977 40 0 JFABRN COc1ccc(OC)c(N([C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c1 ZINC000260761007 570156912 /nfs/dbraw/zinc/15/69/12/570156912.db2.gz DJDHSGQCTJTDJY-GOSISDBHSA-N 0 0 476.595 2.723 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000260767706 570157441 /nfs/dbraw/zinc/15/74/41/570157441.db2.gz ONZGULUDODJQLB-DENIHFKCSA-N 0 0 489.594 2.787 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260774435 570157777 /nfs/dbraw/zinc/15/77/77/570157777.db2.gz XFGQWXOOQCIKOA-QGZVFWFLSA-N 0 0 491.585 2.736 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260774491 570157787 /nfs/dbraw/zinc/15/77/87/570157787.db2.gz XMMQNLVLXHFORG-HXUWFJFHSA-N 0 0 474.627 2.550 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260777232 570157807 /nfs/dbraw/zinc/15/78/07/570157807.db2.gz YWRJYJRWHDOROX-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260779560 570157941 /nfs/dbraw/zinc/15/79/41/570157941.db2.gz ZKFFWLNISYCHHY-HXUWFJFHSA-N 0 0 459.612 2.866 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000260799519 570158435 /nfs/dbraw/zinc/15/84/35/570158435.db2.gz QBLFAXZHZPDUOL-GOSISDBHSA-N 0 0 475.611 2.793 40 0 JFABRN COc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1 ZINC000260798167 570158442 /nfs/dbraw/zinc/15/84/42/570158442.db2.gz PWCZTXJPDCBQSA-HXUWFJFHSA-N 0 0 489.594 2.789 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000260798447 570158503 /nfs/dbraw/zinc/15/85/03/570158503.db2.gz UBWCOLGILCVOSH-HXPMCKFVSA-N 0 0 454.932 2.762 40 0 JFABRN COc1cccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000260821512 570159193 /nfs/dbraw/zinc/15/91/93/570159193.db2.gz YEJUIVMYJBBNMJ-LJQANCHMSA-N 0 0 489.638 2.836 40 0 JFABRN CN(c1ccc(CC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1)S(C)(=O)=O ZINC000260833563 570159592 /nfs/dbraw/zinc/15/95/92/570159592.db2.gz ZAGGJYJAANQYDU-XMMPIXPASA-N 0 0 493.585 2.736 40 0 JFABRN COc1ccc(OC)c(N([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000260834664 570159730 /nfs/dbraw/zinc/15/97/30/570159730.db2.gz NRFMKHOPCZWRSV-HUUCEWRRSA-N 0 0 464.540 2.507 40 0 JFABRN COc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1 ZINC000260837000 570159872 /nfs/dbraw/zinc/15/98/72/570159872.db2.gz CJUVBOIVTPFPDJ-HXUWFJFHSA-N 0 0 489.594 2.789 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(F)cc3)Oc3ccccc32)cc1 ZINC000260853134 570160781 /nfs/dbraw/zinc/16/07/81/570160781.db2.gz VIUDEPNZYDYQND-HSZRJFAPSA-N 0 0 486.521 2.986 40 0 JFABRN CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](CC)C(=O)NC)S(C)(=O)=O ZINC000260855930 570161019 /nfs/dbraw/zinc/16/10/19/570161019.db2.gz GLKMMEJZDCARPX-OAQYLSRUSA-N 0 0 459.612 2.611 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](CC)C(=O)NC)S(C)(=O)=O ZINC000260856049 570161046 /nfs/dbraw/zinc/16/10/46/570161046.db2.gz JETPGTSYGLHCHR-OAQYLSRUSA-N 0 0 459.612 2.877 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000260860938 570161147 /nfs/dbraw/zinc/16/11/47/570161147.db2.gz BDSSPGBSYLIDHO-ROUUACIJSA-N 0 0 463.575 2.924 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000260869408 570161228 /nfs/dbraw/zinc/16/12/28/570161228.db2.gz ASFVSKBZLIDVAY-HXUWFJFHSA-N 0 0 488.654 2.940 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260864224 570161250 /nfs/dbraw/zinc/16/12/50/570161250.db2.gz ZMHRYBCVNHJZAU-OAQYLSRUSA-N 0 0 463.575 2.708 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260875511 570161297 /nfs/dbraw/zinc/16/12/97/570161297.db2.gz GJVCBIPWDVIIIS-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000260873335 570161350 /nfs/dbraw/zinc/16/13/50/570161350.db2.gz FQSWISVFCMAABW-PMACEKPBSA-N 0 0 474.627 2.631 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260880154 570161483 /nfs/dbraw/zinc/16/14/83/570161483.db2.gz HWDYJQFBPDJIKW-HXUWFJFHSA-N 0 0 459.612 2.805 40 0 JFABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O ZINC000260892652 570162066 /nfs/dbraw/zinc/16/20/66/570162066.db2.gz CAFYNLBJCNRSLE-OAHLLOKOSA-N 0 0 467.975 2.978 40 0 JFABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NC[C@H]1COc2ccccc2O1 ZINC000260895128 570162332 /nfs/dbraw/zinc/16/23/32/570162332.db2.gz GXNFXZUGPPNGLY-IBGZPJMESA-N 0 0 456.495 2.977 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccc(N4CCCC4=O)c3)C2)cc1 ZINC000260897461 570162427 /nfs/dbraw/zinc/16/24/27/570162427.db2.gz IPRJTSCQNKJCAV-FQEVSTJZSA-N 0 0 455.580 2.839 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000260902846 570162881 /nfs/dbraw/zinc/16/28/81/570162881.db2.gz WWGNDXMQOWRFQL-OAHLLOKOSA-N 0 0 467.975 2.978 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260907893 570163107 /nfs/dbraw/zinc/16/31/07/570163107.db2.gz XGJYCOWTSITOBW-GOSISDBHSA-N 0 0 493.601 2.851 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000260910374 570163338 /nfs/dbraw/zinc/16/33/38/570163338.db2.gz YEAXUXXQFUGCSQ-UZUQRXQVSA-N 0 0 466.515 2.599 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(CN4CCCC4=O)cc3)C2)cc1 ZINC000260913029 570163641 /nfs/dbraw/zinc/16/36/41/570163641.db2.gz ZQHYEGXJUBGOOL-QFIPXVFZSA-N 0 0 469.607 2.835 40 0 JFABRN CC[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000260932801 570165113 /nfs/dbraw/zinc/16/51/13/570165113.db2.gz MZRLTSLZVWZHLP-UZLBHIALSA-N 0 0 452.598 2.821 40 0 JFABRN C[C@@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000260949528 570166085 /nfs/dbraw/zinc/16/60/85/570166085.db2.gz XMGWZHSXSNRMKL-KGLIPLIRSA-N 0 0 458.989 2.775 40 0 JFABRN COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC ZINC000409202926 570166217 /nfs/dbraw/zinc/16/62/17/570166217.db2.gz UIIVAIZYHHTPIO-LZYBPNLTSA-N 0 0 491.859 2.571 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000260959601 570166272 /nfs/dbraw/zinc/16/62/72/570166272.db2.gz KVKQBUPISKNFCC-MOPGFXCFSA-N 0 0 475.611 2.793 40 0 JFABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc1O ZINC000409203518 570166520 /nfs/dbraw/zinc/16/65/20/570166520.db2.gz WUWKLXVHUYTDOF-DEDYPNTBSA-N 0 0 469.519 2.912 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000260994682 570166629 /nfs/dbraw/zinc/16/66/29/570166629.db2.gz QNCKAEOVJOUESP-GOSISDBHSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000261004903 570166653 /nfs/dbraw/zinc/16/66/53/570166653.db2.gz FTSHXCJRNFFOMB-ROUUACIJSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000261021084 570166845 /nfs/dbraw/zinc/16/68/45/570166845.db2.gz VZTXSWSUCOUMLF-ROUUACIJSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c(OC)c1OC ZINC000261364535 570168557 /nfs/dbraw/zinc/16/85/57/570168557.db2.gz LZMZFGYMQUOFEZ-OAQYLSRUSA-O 0 0 455.516 2.798 40 0 JFABRN COc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c(OC)c1OC ZINC000261364534 570168608 /nfs/dbraw/zinc/16/86/08/570168608.db2.gz LZMZFGYMQUOFEZ-NRFANRHFSA-O 0 0 455.516 2.798 40 0 JFABRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(I)o1 ZINC000261365789 570169190 /nfs/dbraw/zinc/16/91/90/570169190.db2.gz VGSKSPFQTKXCRP-INIZCTEOSA-O 0 0 481.295 2.970 40 0 JFABRN O=C1C[C@@H](N2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 ZINC000261526709 570170418 /nfs/dbraw/zinc/17/04/18/570170418.db2.gz HNUAJSMPGVRPQB-HXUWFJFHSA-N 0 0 454.490 2.739 40 0 JFABRN COCCOCC(=O)Oc1cc(OC(=O)COCCOC)c2c(c1)occ(-c1ccccc1)c2=O ZINC000263583742 570170740 /nfs/dbraw/zinc/17/07/40/570170740.db2.gz XKIGYIRQGRLRGO-UHFFFAOYSA-N 0 0 486.473 2.597 40 0 JFABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCC(=O)OC ZINC000409214930 570171894 /nfs/dbraw/zinc/17/18/94/570171894.db2.gz VHCOMZVDZSKETE-RQZCQDPDSA-N 0 0 451.497 2.873 40 0 JFABRN O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1cccc(I)c1 ZINC000409225605 570175821 /nfs/dbraw/zinc/17/58/21/570175821.db2.gz PYEIBQQJKROGKH-UHFFFAOYSA-N 0 0 476.226 2.516 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)cc1 ZINC000409227424 570176383 /nfs/dbraw/zinc/17/63/83/570176383.db2.gz YJSVILOLRDHQSV-UHFFFAOYSA-N 0 0 450.447 2.868 40 0 JFABRN CN1CCN(Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCCc3cccs3)cn21 ZINC000306135369 570178414 /nfs/dbraw/zinc/17/84/14/570178414.db2.gz OOWXOSYEQAWMTG-NRFANRHFSA-N 0 0 461.595 2.647 40 0 JFABRN FC(F)(F)Oc1cccc(-c2cc(NCCN3CCOCC3)nc(NC3CCCC3)n2)c1 ZINC000329000127 570181104 /nfs/dbraw/zinc/18/11/04/570181104.db2.gz JZYYJFFBOZDIRG-UHFFFAOYSA-N 0 0 451.493 2.985 40 0 JFABRN C[C@H](CO)Nc1nc(Nc2ccc(I)cc2F)cc(-c2ccncc2)n1 ZINC000329011498 570181568 /nfs/dbraw/zinc/18/15/68/570181568.db2.gz MFSPYGXFUMKPCQ-LLVKDONJSA-N 0 0 465.270 2.662 40 0 JFABRN C[C@H](CO)Nc1nc(Nc2ccc(I)cc2F)cc(-c2cccnc2)n1 ZINC000329033340 570182496 /nfs/dbraw/zinc/18/24/96/570182496.db2.gz QTSSMPHUSRJNFB-LLVKDONJSA-N 0 0 465.270 2.662 40 0 JFABRN COCCCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(I)c2)C1=O ZINC000409243703 570183111 /nfs/dbraw/zinc/18/31/11/570183111.db2.gz XRNQLRKHNRPUSF-NTEUORMPSA-N 0 0 491.303 2.916 40 0 JFABRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O ZINC000409249796 570185537 /nfs/dbraw/zinc/18/55/37/570185537.db2.gz LMIDSXCIXLPQFY-RIYZIHGNSA-N 0 0 476.283 2.703 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)cc2)cc1OC ZINC000409254291 570186673 /nfs/dbraw/zinc/18/66/73/570186673.db2.gz WPFKBYGPSPVUBO-UHFFFAOYSA-N 0 0 464.584 2.766 40 0 JFABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 ZINC000409261232 570187537 /nfs/dbraw/zinc/18/75/37/570187537.db2.gz CASYHMOXAGANPH-UHFFFAOYSA-N 0 0 456.904 2.549 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000409263277 570187888 /nfs/dbraw/zinc/18/78/88/570187888.db2.gz LZIBNZMGPLHMIU-UHFFFAOYSA-N 0 0 497.573 2.905 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(F)c1 ZINC000409266705 570188586 /nfs/dbraw/zinc/18/85/86/570188586.db2.gz KXRVYRKPZFWEOC-UHFFFAOYSA-N 0 0 483.587 2.795 40 0 JFABRN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1)c1ccccc1I ZINC000408539881 570191367 /nfs/dbraw/zinc/19/13/67/570191367.db2.gz ZTLKOICAXVDLKH-UHFFFAOYSA-N 0 0 464.263 2.962 40 0 JFABRN CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=C1/NC(=O)N(CC(=O)OC)C1=O ZINC000408548892 570194356 /nfs/dbraw/zinc/19/43/56/570194356.db2.gz MYAXWBYLVDQFOI-LDADJPATSA-N 0 0 452.463 2.781 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000408554445 570196214 /nfs/dbraw/zinc/19/62/14/570196214.db2.gz SAFGKZVLUMXWHK-GFCCVEGCSA-N 0 0 474.320 2.914 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000408559400 570199627 /nfs/dbraw/zinc/19/96/27/570199627.db2.gz VLUDDXWQHXPWJF-UHFFFAOYSA-N 0 0 479.986 2.576 40 0 JFABRN COc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)cc1OC ZINC000409314001 570199715 /nfs/dbraw/zinc/19/97/15/570199715.db2.gz RHWINSNAKNGPHI-UHFFFAOYSA-N 0 0 450.557 2.830 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2OC)cc1 ZINC000409315536 570200064 /nfs/dbraw/zinc/20/00/64/570200064.db2.gz VXLKAVYZQATYIH-UHFFFAOYSA-N 0 0 484.530 2.944 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)c1 ZINC000409319636 570200860 /nfs/dbraw/zinc/20/08/60/570200860.db2.gz JNKXFGUVYFESHR-UHFFFAOYSA-N 0 0 470.503 2.818 40 0 JFABRN COc1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c1 ZINC000408561614 570201190 /nfs/dbraw/zinc/20/11/90/570201190.db2.gz UDQNAYMMBIJPFD-HNNXBMFYSA-N 0 0 464.540 2.760 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)CC1 ZINC000408561650 570201279 /nfs/dbraw/zinc/20/12/79/570201279.db2.gz UPHVZJJGISFTDO-FQEVSTJZSA-N 0 0 450.601 2.814 40 0 JFABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2)CC1 ZINC000408562359 570201760 /nfs/dbraw/zinc/20/17/60/570201760.db2.gz ZGIPRECAMTYITJ-UHFFFAOYSA-N 0 0 467.975 2.692 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)cc1 ZINC000409329035 570203208 /nfs/dbraw/zinc/20/32/08/570203208.db2.gz CHXKXYXNALIPCO-UHFFFAOYSA-N 0 0 453.524 2.653 40 0 JFABRN O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)NCCN1CCOCC1 ZINC000408576186 570205848 /nfs/dbraw/zinc/20/58/48/570205848.db2.gz SWUBDPPPQLEQBW-UHFFFAOYSA-N 0 0 472.394 2.637 40 0 JFABRN CCOC(=O)Nc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1OCC ZINC000408585976 570208098 /nfs/dbraw/zinc/20/80/98/570208098.db2.gz LYNQNZDRHYNTKC-UHFFFAOYSA-N 0 0 491.566 2.889 40 0 JFABRN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408587110 570208264 /nfs/dbraw/zinc/20/82/64/570208264.db2.gz BLICCEAGAIZCPA-GOSISDBHSA-N 0 0 481.574 2.580 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)CC1 ZINC000408588498 570208580 /nfs/dbraw/zinc/20/85/80/570208580.db2.gz CZOROVKOHFFLCS-UHFFFAOYSA-N 0 0 472.991 2.741 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000408590029 570208931 /nfs/dbraw/zinc/20/89/31/570208931.db2.gz GTSZSFMCYQSQLE-JOCHJYFZSA-N 0 0 458.580 2.686 40 0 JFABRN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000408591528 570209244 /nfs/dbraw/zinc/20/92/44/570209244.db2.gz IQCZLBVQYPBCRC-UHFFFAOYSA-N 0 0 474.583 2.699 40 0 JFABRN COc1c2c(c(C)c3c1C[C@H]1[C@@](C)(C[C@]4(O)OC[C@]5(C)O[C@@]6(OC)CC[C@@]1(C)[C@]54O6)O3)COC2=O ZINC000253389132 291486258 /nfs/dbraw/zinc/48/62/58/291486258.db2.gz UEVWVMGTABEFID-UQFGZQIASA-N 0 0 488.533 2.751 40 0 biogenic,in-vitro JFABRN CC(=O)Nc1ccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccccc3)n2)cc1 ZINC000000883612 193944880 /nfs/dbraw/zinc/94/48/80/193944880.db2.gz PRQMDUWUVCMHLJ-UHFFFAOYSA-N 0 0 475.553 2.781 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1 ZINC000000909224 193962007 /nfs/dbraw/zinc/96/20/07/193962007.db2.gz APPWBISHLAOUHF-NZQKXSOJSA-N 0 0 494.596 2.675 40 0 JFABRN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000000922121 193972996 /nfs/dbraw/zinc/97/29/96/193972996.db2.gz YMHREORRQZVCFB-UHFFFAOYSA-N 0 0 480.554 2.748 40 0 JFABRN COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1OC ZINC000000934216 193985079 /nfs/dbraw/zinc/98/50/79/193985079.db2.gz OOHGQTHTSVJSEA-UHFFFAOYSA-N 0 0 473.555 2.822 40 0 JFABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000001222978 194075007 /nfs/dbraw/zinc/07/50/07/194075007.db2.gz VFXSFGBUHOOBQZ-OAHLLOKOSA-N 0 0 493.564 2.691 40 0 JFABRN CC(C)NC(=O)Cn1c2ccccc2n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc12 ZINC000001325936 194087103 /nfs/dbraw/zinc/08/71/03/194087103.db2.gz JZMFIYXRVWFDKZ-UHFFFAOYSA-N 0 0 466.523 2.668 40 0 JFABRN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCOCC1 ZINC000001340164 194097708 /nfs/dbraw/zinc/09/77/08/194097708.db2.gz FRYHQIRMNJSEFZ-KRWDZBQOSA-N 0 0 450.564 2.965 40 0 JFABRN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001347179 194099324 /nfs/dbraw/zinc/09/93/24/194099324.db2.gz SJMPOXDIFZDEOD-GOSISDBHSA-N 0 0 454.556 2.573 40 0 JFABRN Cc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4cccc5nonc54)CC2)n1)CCCC3 ZINC000001332511 194091065 /nfs/dbraw/zinc/09/10/65/194091065.db2.gz VVKYTVCWXAQFBY-UHFFFAOYSA-N 0 0 470.580 2.926 40 0 JFABRN COc1ccccc1CC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[nH]2)C1 ZINC000001334160 194092898 /nfs/dbraw/zinc/09/28/98/194092898.db2.gz QSJAFALNBVZFEG-HXUWFJFHSA-N 0 0 472.549 2.829 40 0 JFABRN Cc1cc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c(C)c1 ZINC000001365311 194103679 /nfs/dbraw/zinc/10/36/79/194103679.db2.gz KMWJKNCCLDEWNU-SFHVURJKSA-N 0 0 454.556 2.627 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)Cc1nnnn1C[C@@H]1CCCO1)OCCO3 ZINC000001373827 194107924 /nfs/dbraw/zinc/10/79/24/194107924.db2.gz XANRVLGDZTVFSW-SFHVURJKSA-N 0 0 494.577 2.729 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374474 194108982 /nfs/dbraw/zinc/10/89/82/194108982.db2.gz SFJPZEIVOSICQS-OAQYLSRUSA-N 0 0 480.525 2.833 40 0 JFABRN COc1cc(OC)cc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NCc3cccs3)n2)c1 ZINC000001358048 194101596 /nfs/dbraw/zinc/10/15/96/194101596.db2.gz HLVNUWRNBDBMEA-UHFFFAOYSA-N 0 0 478.534 2.988 40 0 JFABRN O=C(c1cccs1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)CC1 ZINC000001359409 194101720 /nfs/dbraw/zinc/10/17/20/194101720.db2.gz FELPUFXZXLPSNJ-UHFFFAOYSA-N 0 0 488.591 2.839 40 0 JFABRN Cc1ccc(NC(=O)Cn2nnc(-c3cc(Cl)ccc3-n3cnnn3)n2)c(Br)c1 ZINC000001361438 194102287 /nfs/dbraw/zinc/10/22/87/194102287.db2.gz BOJSFWJDNBLHBW-UHFFFAOYSA-N 0 0 474.710 2.679 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCCC1)C[C@@H]1CCCO1)OCO3 ZINC000001375719 194110475 /nfs/dbraw/zinc/11/04/75/194110475.db2.gz JDXBOXYWSBEGHK-IBGZPJMESA-N 0 0 466.542 2.930 40 0 JFABRN Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000001380754 194113128 /nfs/dbraw/zinc/11/31/28/194113128.db2.gz AIIGYVSIVQNFOG-UHFFFAOYSA-N 0 0 489.623 2.550 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000001466948 194124810 /nfs/dbraw/zinc/12/48/10/194124810.db2.gz MRPDZLSJQJKXOG-FNGUVFISSA-N 0 0 480.517 2.724 40 0 JFABRN COc1cc([C@H]2c3cc4c(cc3[C@@H](OC(C)=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000001668774 194130897 /nfs/dbraw/zinc/13/08/97/194130897.db2.gz SASVNKPCTLROPQ-NUXXPKPISA-N 0 0 456.447 2.980 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000003109839 194226968 /nfs/dbraw/zinc/22/69/68/194226968.db2.gz UWWVBPGAOFYVSG-DHDCSXOGSA-N 0 0 451.913 2.662 40 0 JFABRN COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccccc4)CO[C@H]23)cc(OC)c1 ZINC000003841716 194363519 /nfs/dbraw/zinc/36/35/19/194363519.db2.gz BZSDSFGWOBIUFO-MTQWCTHYSA-N 0 0 459.524 2.774 40 0 biogenic,in-vitro JFABRN O=C(Cc1cccs1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(NS(=O)(=O)c3ccccc3)ccc12 ZINC000003841399 194363558 /nfs/dbraw/zinc/36/35/58/194363558.db2.gz ZPAOIOSPGRJGNH-DLBZAZTESA-N 0 0 469.588 2.899 40 0 biogenic,in-vitro JFABRN COc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)Cc3cccs3)C2)cc1 ZINC000003841401 194363599 /nfs/dbraw/zinc/36/35/99/194363599.db2.gz GFOHEJUEJAXWDS-DLBZAZTESA-N 0 0 499.614 2.908 40 0 biogenic,in-vitro JFABRN Cc1c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(=O)n(-c2ccccc2)n1C ZINC000004001679 194368312 /nfs/dbraw/zinc/36/83/12/194368312.db2.gz RJTQUJZJGXCULE-UHFFFAOYSA-N 0 0 452.536 2.584 40 0 JFABRN COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(C)=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000004164766 194382236 /nfs/dbraw/zinc/38/22/36/194382236.db2.gz SASVNKPCTLROPQ-NZYDNVMFSA-N 0 0 456.447 2.980 40 0 in-vitro JFABRN Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000004411391 194389580 /nfs/dbraw/zinc/38/95/80/194389580.db2.gz WNSBLEIZGDYXMW-DHUJRADRSA-N 0 0 499.589 2.503 40 0 JFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1 ZINC000006442266 194426170 /nfs/dbraw/zinc/42/61/70/194426170.db2.gz MDGMYWAGGVVPBG-HXUWFJFHSA-N 0 0 478.578 2.975 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccnc1)C(=S)NC[C@@H]1CCCO1)OCO3 ZINC000006445095 194426895 /nfs/dbraw/zinc/42/68/95/194426895.db2.gz AVAMDIGYPBVMIQ-SFHVURJKSA-N 0 0 452.536 2.708 40 0 JFABRN CCCCCn1c2nnc(CN3C(=O)c4ccccc4S3(=O)=O)n2c2ccccc2c1=O ZINC000009130876 194561426 /nfs/dbraw/zinc/56/14/26/194561426.db2.gz BAOUQQSFAJVVKO-UHFFFAOYSA-N 0 0 451.508 2.579 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009136468 194562580 /nfs/dbraw/zinc/56/25/80/194562580.db2.gz KEXUDVIVFQKOSM-FNUHDPNESA-N 0 0 480.542 2.521 40 0 JFABRN CCOC(=O)C1=C(CSc2nnc3n2c2ccccc2c(=O)n3-c2ccccc2)NC(=O)N[C@@H]1C ZINC000009224275 194610863 /nfs/dbraw/zinc/61/08/63/194610863.db2.gz PSSPEEOPIGWAOZ-CQSZACIVSA-N 0 0 490.545 2.644 40 0 JFABRN Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)CCS(=O)(=O)c2ccccc2)cc1 ZINC000009962520 195039721 /nfs/dbraw/zinc/03/97/21/195039721.db2.gz RFNBMTDOFGNBSX-FCQUAONHSA-N 0 0 458.561 2.741 40 0 JFABRN CCC(CC)C(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl ZINC000012639128 195069358 /nfs/dbraw/zinc/06/93/58/195069358.db2.gz DZEAIJDBIGNKMR-UHFFFAOYSA-N 0 0 495.411 2.753 40 0 JFABRN O=C(NC1CCCCC1)C(=O)N(C[C@H]1CCCO1)[C@H](C(=O)NCc1ccco1)c1ccco1 ZINC000012641359 195070966 /nfs/dbraw/zinc/07/09/66/195070966.db2.gz YORKSPJQSWYEEG-CTNGQTDRSA-N 0 0 457.527 2.687 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)C(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000012641618 195071339 /nfs/dbraw/zinc/07/13/39/195071339.db2.gz VHSBNPDCBQSFQE-QFIPXVFZSA-N 0 0 497.479 2.931 40 0 JFABRN COC(=O)c1ccc([C@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 ZINC000012661068 195080852 /nfs/dbraw/zinc/08/08/52/195080852.db2.gz KCYAMSVWSIIKMK-AIFLQVKLSA-N 0 0 462.539 2.911 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000012701208 195091458 /nfs/dbraw/zinc/09/14/58/195091458.db2.gz KGCNUERNYYWTLQ-INIZCTEOSA-N 0 0 494.527 2.684 40 0 JFABRN COc1ccccc1N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@H](C)C(=O)NC1CCCC1 ZINC000012701566 195091488 /nfs/dbraw/zinc/09/14/88/195091488.db2.gz NVXBCEKHIPQBEW-MRXNPFEDSA-N 0 0 466.517 2.968 40 0 JFABRN COc1ccccc1N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@@H](C)C(=O)NC1CCCC1 ZINC000012701560 195091566 /nfs/dbraw/zinc/09/15/66/195091566.db2.gz NVXBCEKHIPQBEW-INIZCTEOSA-N 0 0 466.517 2.968 40 0 JFABRN O=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)c(Cl)c1)NC[C@H]1CCCO1 ZINC000012705993 195092785 /nfs/dbraw/zinc/09/27/85/195092785.db2.gz JGAFDFGIQRUEFT-QGZVFWFLSA-N 0 0 490.898 2.600 40 0 JFABRN CCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C[C@@H]1CCCO1 ZINC000012706629 195092905 /nfs/dbraw/zinc/09/29/05/195092905.db2.gz CJSXAFPVWAIECU-KRWDZBQOSA-N 0 0 480.612 2.564 40 0 JFABRN NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1N ZINC000012710960 195095068 /nfs/dbraw/zinc/09/50/68/195095068.db2.gz KOUYXCOTMYSKSY-QGZVFWFLSA-N 0 0 473.580 2.921 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1N ZINC000012711184 195095279 /nfs/dbraw/zinc/09/52/79/195095279.db2.gz CQBKQTNTHHFVDQ-KDOFPFPSSA-N 0 0 485.591 2.569 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCC3)cc2c1 ZINC000012833506 195151083 /nfs/dbraw/zinc/15/10/83/195151083.db2.gz MYWSXVZUUAUUPH-UHFFFAOYSA-N 0 0 495.628 2.753 40 0 JFABRN COc1ccccc1CNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 ZINC000012896858 195175556 /nfs/dbraw/zinc/17/55/56/195175556.db2.gz LWWGFURJWFMOSA-VNAWGFGGSA-N 0 0 457.530 2.817 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000020802109 195227398 /nfs/dbraw/zinc/22/73/98/195227398.db2.gz RPWOBJOJAVJXAC-NHCUHLMSSA-N 0 0 483.521 2.824 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000020802499 195227684 /nfs/dbraw/zinc/22/76/84/195227684.db2.gz VNWLMACCFMIOPO-VQTJNVASSA-N 0 0 469.494 2.521 40 0 JFABRN COc1ccc(-c2noc(C(=O)NCCNC(=O)c3ccccc3Br)n2)cc1OC ZINC000021453499 195301707 /nfs/dbraw/zinc/30/17/07/195301707.db2.gz XUSULFDOPTXVCU-UHFFFAOYSA-N 0 0 475.299 2.676 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)cc(C)c3[nH]c2=O)N2CCC(O)CC2)cc1 ZINC000057589800 195351639 /nfs/dbraw/zinc/35/16/39/195351639.db2.gz GWYCWKVTHINLHC-XMMPIXPASA-N 0 0 474.565 2.734 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000057589819 195351716 /nfs/dbraw/zinc/35/17/16/195351716.db2.gz RXWPJYHAJHDHCN-OFNKIYASSA-N 0 0 494.596 2.675 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000057589823 195351901 /nfs/dbraw/zinc/35/19/01/195351901.db2.gz RXWPJYHAJHDHCN-NFBKMPQASA-N 0 0 494.596 2.675 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C2CCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000057595181 195352503 /nfs/dbraw/zinc/35/25/03/195352503.db2.gz ICKPTEUDMYDCSQ-QFIPXVFZSA-N 0 0 494.552 2.723 40 0 JFABRN Cc1ccc2cc(CN(Cc3nnnn3C[C@@H]3CCCO3)Cc3ccc4c(c3)OCO4)c(=O)[nH]c2c1 ZINC000057607186 195352737 /nfs/dbraw/zinc/35/27/37/195352737.db2.gz DGHLSKQUZKPGFV-NRFANRHFSA-N 0 0 488.548 2.933 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000057608437 195353325 /nfs/dbraw/zinc/35/33/25/195353325.db2.gz NWBSUMBMOAINBK-REWPJTCUSA-N 0 0 478.553 2.833 40 0 JFABRN CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCN(Cc4ccccc4)C3)cc2)CC1 ZINC000057698604 195357790 /nfs/dbraw/zinc/35/77/90/195357790.db2.gz CGZAIBHPDTVBRD-UHFFFAOYSA-N 0 0 477.652 2.961 40 0 JFABRN CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)Cn1nc(C)c2ccccc2c1=O ZINC000057730801 195359030 /nfs/dbraw/zinc/35/90/30/195359030.db2.gz WGKOGFNYBAJSCW-LJQANCHMSA-N 0 0 473.533 2.532 40 0 JFABRN COc1ccc(-c2ccc3c(n2)nc(N2C[C@@H](C)O[C@H](C)C2)nc3N2CCOCC2)cc1CO ZINC000059259288 195396501 /nfs/dbraw/zinc/39/65/01/195396501.db2.gz RFSMUFRPPYDYRD-IAGOWNOFSA-N 0 0 465.554 2.643 40 0 in-vitro JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000059306083 195397335 /nfs/dbraw/zinc/39/73/35/195397335.db2.gz DWKUBUAQGKTNHC-AFHVAHMMSA-N 0 0 482.533 2.955 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000059334860 195397511 /nfs/dbraw/zinc/39/75/11/195397511.db2.gz LXXVTGAIUBHFCB-UHFFFAOYSA-N 0 0 478.014 2.887 40 0 JFABRN O=c1c2cc3c(cc2c(=O)n1CCc1ccc(F)cc1)c(=O)n(CCc1ccc(F)cc1)c3=O ZINC000059484445 195405850 /nfs/dbraw/zinc/40/58/50/195405850.db2.gz LTPFFJKJCCODIT-UHFFFAOYSA-N 0 0 460.436 2.676 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224870190 517586565 /nfs/dbraw/zinc/58/65/65/517586565.db2.gz ZDEYJTFJFXGMNM-KRWDZBQOSA-N 0 0 496.580 2.521 40 0 JFABRN CC(C)(C)NC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1F ZINC000006074361 518726986 /nfs/dbraw/zinc/72/69/86/518726986.db2.gz KRLNGTYVPHDSEU-YTTGMZPUSA-N 0 0 465.522 2.600 40 0 JFABRN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N ZINC000006074923 518747337 /nfs/dbraw/zinc/74/73/37/518747337.db2.gz KDXWHGCGAFKGML-SFHVURJKSA-N 0 0 484.557 2.657 40 0 JFABRN CC(C)NC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc5c(c4)OCO5)ccc3NC(=O)[C@@H]2C1 ZINC000008300070 519712622 /nfs/dbraw/zinc/71/26/22/519712622.db2.gz WLVNXJJMTVRTAI-LPHOPBHVSA-N 0 0 450.495 2.715 40 0 biogenic,in-vitro JFABRN CCCNC(=O)Cn1c(=O)/c(=C\c2cccc(C(F)(F)F)c2)s/c1=C\C(=O)C(C)(C)C ZINC000040161590 519882250 /nfs/dbraw/zinc/88/22/50/519882250.db2.gz ZVTCXMOXFFOIHG-DPYYQBSUSA-N 0 0 454.514 2.679 40 0 JFABRN CCOCCCNC(=S)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006089645 519896220 /nfs/dbraw/zinc/89/62/20/519896220.db2.gz HJQMJPCYUVAPCP-UHFFFAOYSA-N 0 0 468.579 2.998 40 0 JFABRN CCCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000022427744 520383931 /nfs/dbraw/zinc/38/39/31/520383931.db2.gz UTXFAFJGMZNTFJ-INIZCTEOSA-N 0 0 468.597 2.522 40 0 JFABRN CCCS(=O)(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)C1 ZINC000006161931 520523167 /nfs/dbraw/zinc/52/31/67/520523167.db2.gz HEDYLZYNYQLCCX-AWEZNQCLSA-N 0 0 450.952 2.548 40 0 JFABRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000020456938 520687919 /nfs/dbraw/zinc/68/79/19/520687919.db2.gz SZRJCARJJGQKBZ-UHFFFAOYSA-N 0 0 450.536 2.607 40 0 JFABRN CCOC(=O)CC[C@@H](NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(C)=O)C(=O)OCC ZINC000006546169 520705946 /nfs/dbraw/zinc/70/59/46/520705946.db2.gz LAZWHUPSJRHVFT-DNQXCXABSA-N 0 0 498.576 2.704 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013506211 520723653 /nfs/dbraw/zinc/72/36/53/520723653.db2.gz YVYQGYJFBIPNDW-HSZRJFAPSA-N 0 0 485.606 2.978 40 0 JFABRN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@](CCSC)(C(=O)OC)N[C@@H]3c2ccc(O)cc2)cc1 ZINC000012497813 521039210 /nfs/dbraw/zinc/03/92/10/521039210.db2.gz CJNJMFNRNBHDNJ-FBROZUCGSA-N 0 0 484.574 2.906 40 0 JFABRN CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N3)CC1 ZINC000022610080 521045865 /nfs/dbraw/zinc/04/58/65/521045865.db2.gz ZZXJHPISLQKZSL-AWEZNQCLSA-N 0 0 460.332 2.833 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C ZINC000016692182 521185042 /nfs/dbraw/zinc/18/50/42/521185042.db2.gz USKMGWXSCOGJMO-UHFFFAOYSA-N 0 0 459.612 2.980 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3OC)CC2)cc1Cl ZINC000016692449 521185126 /nfs/dbraw/zinc/18/51/26/521185126.db2.gz KUFMBQRDVWMIJS-UHFFFAOYSA-N 0 0 482.002 2.717 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1C ZINC000039986234 521188106 /nfs/dbraw/zinc/18/81/06/521188106.db2.gz XVRWGXCUSOQHCA-UHFFFAOYSA-N 0 0 464.584 2.780 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000013633407 521188295 /nfs/dbraw/zinc/18/82/95/521188295.db2.gz QOQJUOIUGDJMKA-UHFFFAOYSA-N 0 0 480.539 2.538 40 0 JFABRN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)ccc1Cl ZINC000020492804 521444310 /nfs/dbraw/zinc/44/43/10/521444310.db2.gz BZSFGNDCODMKBD-UHFFFAOYSA-N 0 0 482.942 2.799 40 0 JFABRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(Cl)cc42)N2CCC[C@@H]32)cc1 ZINC000012410943 521485142 /nfs/dbraw/zinc/48/51/42/521485142.db2.gz UKUSYJSWBBJTPI-AJGMTHFWSA-N 0 0 479.920 2.948 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)cc1 ZINC000040390667 521508226 /nfs/dbraw/zinc/50/82/26/521508226.db2.gz XKODRLAZVSJOSM-LJQANCHMSA-N 0 0 487.516 2.574 40 0 JFABRN CCCn1c2nnc(SCC(=O)NC(C)(C)C)n2c2cc(C(=O)NCC(C)C)ccc2c1=O ZINC000033256666 521641427 /nfs/dbraw/zinc/64/14/27/521641427.db2.gz BBWDZNXGZFTBHF-UHFFFAOYSA-N 0 0 472.615 2.847 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1F ZINC000020458341 521958369 /nfs/dbraw/zinc/95/83/69/521958369.db2.gz SZLYNSGUDUDIAO-UHFFFAOYSA-N 0 0 474.514 2.600 40 0 JFABRN CN(C)c1ccc(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3cccs3)n2)cc1 ZINC000005398293 522153252 /nfs/dbraw/zinc/15/32/52/522153252.db2.gz WFXHQBGOFUWODE-FMWKFLBASA-N 0 0 451.552 2.648 40 0 biogenic,in-vitro JFABRN COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000019222034 522158020 /nfs/dbraw/zinc/15/80/20/522158020.db2.gz XKXLVRJYUNEAAE-QHCPKHFHSA-N 0 0 477.544 2.520 40 0 JFABRN CC[C@@H](C)NC(=O)CSc1nnc2n1c1ccc(Cl)cc1c(=O)n2CCC(=O)NC(C)C ZINC000033292136 522172040 /nfs/dbraw/zinc/17/20/40/522172040.db2.gz UHIWBAIAXXRWLD-CYBMUJFWSA-N 0 0 479.006 2.619 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3ccc(F)cc3)nnc1n(C)c2=O ZINC000033256782 522220475 /nfs/dbraw/zinc/22/04/75/522220475.db2.gz AFESJMUTPQCTQV-CYBMUJFWSA-N 0 0 482.541 2.979 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000026770696 522872710 /nfs/dbraw/zinc/87/27/10/522872710.db2.gz ILVZVBWSMZGDSW-PRWBYUBPSA-N 0 0 482.945 2.987 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)[C@@H](C)C(=O)NC(C)(C)C)n2)cc1OC ZINC000012476509 523270299 /nfs/dbraw/zinc/27/02/99/523270299.db2.gz AKTSLVWIIRBVSS-HNNXBMFYSA-N 0 0 484.532 2.833 40 0 JFABRN CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](Oc2ccc(C(c3ccc(O)cc3)=C3CCCCC3)cc2)O[C@H]1CO ZINC000005430990 523781196 /nfs/dbraw/zinc/78/11/96/523781196.db2.gz ISZALBKYPNOAOA-GNTRSOMUSA-N 0 0 456.535 2.991 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000012480776 523817019 /nfs/dbraw/zinc/81/70/19/523817019.db2.gz XZSXEIKZTNGLPZ-UHFFFAOYSA-N 0 0 466.517 2.888 40 0 JFABRN CO[C@@]12C[C@@H]3[C@@H]([C@@H](O)[C@@H](OC(C)=O)[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]34C)[C@H](C)C1=CC(=O)O2 ZINC000035465166 523818133 /nfs/dbraw/zinc/81/81/33/523818133.db2.gz MIFAMIONJNEQDA-KLHNTJOHSA-N 0 0 464.555 2.765 40 0 biogenic,in-vitro JFABRN COCCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 ZINC000013508472 523911584 /nfs/dbraw/zinc/91/15/84/523911584.db2.gz VYUJZHMQVKKTPW-HSZRJFAPSA-N 0 0 463.494 2.570 40 0 JFABRN COCCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 ZINC000013509274 523919420 /nfs/dbraw/zinc/91/94/20/523919420.db2.gz AQAOXYYFWWFNCK-DEOSSOPVSA-N 0 0 458.522 2.672 40 0 JFABRN COCCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(C)=O)c1 ZINC000013509301 523919455 /nfs/dbraw/zinc/91/94/55/523919455.db2.gz FQBFMVBIYCLAQZ-VWLOTQADSA-N 0 0 486.532 2.566 40 0 JFABRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCOC)c2ccc(F)cc2)cc1 ZINC000006822159 523956630 /nfs/dbraw/zinc/95/66/30/523956630.db2.gz CNPSDGLIZYTSKD-HXUWFJFHSA-N 0 0 499.568 2.676 40 0 JFABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)NCc3ccc(C)cc3)nnc1n(C)c2=O ZINC000033256775 523999856 /nfs/dbraw/zinc/99/98/56/523999856.db2.gz FVBVTWZLNIRTDN-INIZCTEOSA-N 0 0 492.605 2.826 40 0 JFABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3ccccc3OC)nnc1n(C)c2=O ZINC000033256769 524000323 /nfs/dbraw/zinc/00/03/23/524000323.db2.gz CYTJXGZAVLNNRJ-AWEZNQCLSA-N 0 0 494.577 2.849 40 0 JFABRN COc1ccc(CN(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000004092975 524012296 /nfs/dbraw/zinc/01/22/96/524012296.db2.gz KATRJGUCNVPRRP-UHFFFAOYSA-N 0 0 450.495 2.747 40 0 JFABRN CN1C[C@@H](NS(=O)(=O)c2cccc3cccnc32)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464426 524013991 /nfs/dbraw/zinc/01/39/91/524013991.db2.gz NAVRQVGDELFBBB-IRXDYDNUSA-N 0 0 479.518 2.737 40 0 biogenic,in-vitro JFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c(OC)c1OC ZINC000020483189 524045944 /nfs/dbraw/zinc/04/59/44/524045944.db2.gz QJALJBJZNNFYST-UHFFFAOYSA-N 0 0 476.595 2.879 40 0 JFABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1OC ZINC000020022068 524052656 /nfs/dbraw/zinc/05/26/56/524052656.db2.gz AWHDKWMJECWWCP-UHFFFAOYSA-N 0 0 462.568 2.882 40 0 JFABRN CCc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3c4nsnc4ccc3C)cc2c1 ZINC000006197750 524057842 /nfs/dbraw/zinc/05/78/42/524057842.db2.gz KSPZENNOKSOEKW-UHFFFAOYSA-N 0 0 458.565 2.587 40 0 JFABRN COc1ccc(CNC(=O)[C@@H](C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1 ZINC000012472519 524062301 /nfs/dbraw/zinc/06/23/01/524062301.db2.gz BKMKHRYFERGZEE-OAHLLOKOSA-N 0 0 481.578 2.801 40 0 JFABRN COc1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1OC ZINC000044949082 524063212 /nfs/dbraw/zinc/06/32/12/524063212.db2.gz LUMDGZYIYUBKKO-QHCPKHFHSA-N 0 0 468.531 2.977 40 0 JFABRN COc1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1OC ZINC000044949086 524064465 /nfs/dbraw/zinc/06/44/65/524064465.db2.gz LUMDGZYIYUBKKO-HSZRJFAPSA-N 0 0 468.531 2.977 40 0 JFABRN Cc1ccc(C)c(Cn2nnc3c2nc([C@H]2CCCN(S(=O)(=O)c4ccc(F)cc4)C2)[nH]c3=O)c1 ZINC000006161856 524113557 /nfs/dbraw/zinc/11/35/57/524113557.db2.gz HOWGKSGRIYBPEU-KRWDZBQOSA-N 0 0 496.568 2.887 40 0 JFABRN Cc1ccc(C)c(Cn2nnc3c2nc([C@@H]2CCCN(S(=O)(=O)c4ccc(F)cc4)C2)[nH]c3=O)c1 ZINC000006161857 524114002 /nfs/dbraw/zinc/11/40/02/524114002.db2.gz HOWGKSGRIYBPEU-QGZVFWFLSA-N 0 0 496.568 2.887 40 0 JFABRN COc1ccc(Cc2nn3c(nn(CC(=O)Nc4c(C)cccc4C)c3=S)[nH]c2=O)cc1 ZINC000016778143 524166510 /nfs/dbraw/zinc/16/65/10/524166510.db2.gz OMHUSSSOJVSXJR-UHFFFAOYSA-N 0 0 450.524 2.804 40 0 JFABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)CS(=O)(=O)c4ccc(F)cc4)C3)cc2n1 ZINC000072341325 524205453 /nfs/dbraw/zinc/20/54/53/524205453.db2.gz GGSIETVMXRSOKL-ZDUSSCGKSA-N 0 0 470.448 2.985 40 0 JFABRN Cc1cc(C)cc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)c1 ZINC000012467024 524407056 /nfs/dbraw/zinc/40/70/56/524407056.db2.gz SANVTIFKUPCCBH-UHFFFAOYSA-N 0 0 455.515 2.543 40 0 JFABRN Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(S(=O)(=O)Cc4ccccc4)C2)[nH]c3=O)cc1 ZINC000006161864 524776715 /nfs/dbraw/zinc/77/67/15/524776715.db2.gz RXAHGMXKTMLQJJ-FQEVSTJZSA-N 0 0 478.578 2.581 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000016347160 524872217 /nfs/dbraw/zinc/87/22/17/524872217.db2.gz ZRKHMRAQRKJCQC-UHFFFAOYSA-N 0 0 482.002 2.635 40 0 JFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NCc2ccccc2)cc1C ZINC000012472672 524878552 /nfs/dbraw/zinc/87/85/52/524878552.db2.gz ISNDUDPDXNIAJZ-OAHLLOKOSA-N 0 0 451.552 2.793 40 0 JFABRN Cc1ccc(N(CC(=O)NCc2ccco2)C(=O)CNS(=O)(=O)c2ccccc2)c(C)c1 ZINC000013151038 524894359 /nfs/dbraw/zinc/89/43/59/524894359.db2.gz TWSMGJHXBSARNX-UHFFFAOYSA-N 0 0 455.536 2.524 40 0 JFABRN COc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 ZINC000044840234 524971171 /nfs/dbraw/zinc/97/11/71/524971171.db2.gz NOWPMEOKSXWEBP-KRWDZBQOSA-N 0 0 464.559 2.960 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(N4CCCC4=O)cc3)C2)cc1 ZINC000030755987 525031828 /nfs/dbraw/zinc/03/18/28/525031828.db2.gz OKZGZICXUUXSJW-KRWDZBQOSA-N 0 0 457.552 2.861 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000018115269 525040946 /nfs/dbraw/zinc/04/09/46/525040946.db2.gz HUKKFVSMHLDPFE-UHFFFAOYSA-N 0 0 459.568 2.959 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000044882488 525043461 /nfs/dbraw/zinc/04/34/61/525043461.db2.gz DUPHBQHJLVNNAG-UHFFFAOYSA-N 0 0 470.551 2.522 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013504453 525212887 /nfs/dbraw/zinc/21/28/87/525212887.db2.gz GEADHIJDGWQAMA-OFNKIYASSA-N 0 0 452.534 2.911 40 0 JFABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl ZINC000022517561 525220127 /nfs/dbraw/zinc/22/01/27/525220127.db2.gz IUXHXNPHUYBYGF-UHFFFAOYSA-N 0 0 457.961 2.748 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4F)[C@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@]2(C)O4)no1 ZINC000033939905 525224085 /nfs/dbraw/zinc/22/40/85/525224085.db2.gz UGZBXOLTQWMBEM-FGKDPHHFSA-N 0 0 496.539 2.716 40 0 JFABRN Cc1ccccc1NCc1nnc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1-c1ccccc1 ZINC000020418900 525272957 /nfs/dbraw/zinc/27/29/57/525272957.db2.gz BFUCFCARQMLYTP-UHFFFAOYSA-N 0 0 488.577 2.623 40 0 JFABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc43)cc2c1 ZINC000006162922 525477563 /nfs/dbraw/zinc/47/75/63/525477563.db2.gz SCFMERLVFXLPGK-XXBNENTESA-N 0 0 458.522 2.854 40 0 JFABRN Cc1ccc(S(=O)(=O)NCc2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1 ZINC000035288949 525580737 /nfs/dbraw/zinc/58/07/37/525580737.db2.gz GMHGAGAPFCPHPR-UHFFFAOYSA-N 0 0 459.597 2.950 40 0 JFABRN COc1ccc2cc(CN(CCCO)S(=O)(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1 ZINC000006282761 525625820 /nfs/dbraw/zinc/62/58/20/525625820.db2.gz SGKNSWCRISNFRY-UHFFFAOYSA-N 0 0 481.368 2.873 40 0 JFABRN Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccc(S(=O)(=O)NC5CC5)cc4)nnc3c2c1 ZINC000035315207 526110333 /nfs/dbraw/zinc/11/03/33/526110333.db2.gz VWGBOSSMYGWZCX-UHFFFAOYSA-N 0 0 468.564 2.986 40 0 JFABRN O=C(C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000020460473 526305353 /nfs/dbraw/zinc/30/53/53/526305353.db2.gz HKIGVCQCADGIQQ-UHFFFAOYSA-N 0 0 492.395 2.976 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1Cl)Nc1nccs1 ZINC000013151089 526377018 /nfs/dbraw/zinc/37/70/18/526377018.db2.gz YIWHRILLKBNVBU-INIZCTEOSA-N 0 0 464.975 2.839 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000016524985 526555691 /nfs/dbraw/zinc/55/56/91/526555691.db2.gz LOUGWBHIBWYNAS-BGYRXZFFSA-N 0 0 460.486 2.826 40 0 JFABRN O=C(c1ccc(CS(=O)(=O)N2CCOCC2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000044841285 526670380 /nfs/dbraw/zinc/67/03/80/526670380.db2.gz KMYKAKWFCKNBDY-UHFFFAOYSA-N 0 0 497.539 2.830 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016428076 526965884 /nfs/dbraw/zinc/96/58/84/526965884.db2.gz OATWOUFPONUWDT-UHFFFAOYSA-N 0 0 461.559 2.774 40 0 JFABRN O=C(COc1ccccc1)N1CCN2C(=O)c3cc(-c4ccc5c(c4)OCO5)ccc3NC(=O)[C@H]2C1 ZINC000004235928 526982530 /nfs/dbraw/zinc/98/25/30/526982530.db2.gz ULLFJKPHFWIUOD-JOCHJYFZSA-N 0 0 485.496 2.766 40 0 biogenic,in-vitro JFABRN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)C1C=CC2[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000013778011 527118588 /nfs/dbraw/zinc/11/85/88/527118588.db2.gz ZTCYOHJEFFIATK-KWVZWOLDSA-N 0 0 462.452 2.683 40 0 JFABRN O=C(Cn1nc2n(c1=O)c1ccccc1c(=O)n2Cc1ccc(F)cc1)NCc1ccccc1Cl ZINC000045921838 527422732 /nfs/dbraw/zinc/42/27/32/527422732.db2.gz UNELXUDXXRBYBT-UHFFFAOYSA-N 0 0 491.910 2.968 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000000693441 553759345 /nfs/dbraw/zinc/75/93/45/553759345.db2.gz OKMXTCMYMWKTCL-LYFUXTGPSA-N 0 0 466.490 2.666 40 0 JFABRN Cn1c2nc(SCC(=O)NCCc3ccccc3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000798850 553783377 /nfs/dbraw/zinc/78/33/77/553783377.db2.gz BRRCJTRZAUFYKP-UHFFFAOYSA-N 0 0 498.008 2.586 40 0 JFABRN C[C@@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000000798853 553783380 /nfs/dbraw/zinc/78/33/80/553783380.db2.gz NGSUUHWXZYUUOK-CQSZACIVSA-N 0 0 476.002 2.629 40 0 JFABRN Cc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)cc1C ZINC000000798894 553783390 /nfs/dbraw/zinc/78/33/90/553783390.db2.gz VVIBKJBPXSKDKV-UHFFFAOYSA-N 0 0 481.553 2.969 40 0 JFABRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)N2CCCCCC2)c(OC)c1 ZINC000000828114 553789476 /nfs/dbraw/zinc/78/94/76/553789476.db2.gz PHYOHUXOLWDRAD-NRFANRHFSA-N 0 0 461.584 2.833 40 0 JFABRN COc1ccc2cc(CN(CCN3CCOCC3)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000000879686 553816149 /nfs/dbraw/zinc/81/61/49/553816149.db2.gz PNWCXCXEKSEPCH-UHFFFAOYSA-N 0 0 466.607 2.746 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NC3CCCCC3)cc2c1 ZINC000000880021 553816812 /nfs/dbraw/zinc/81/68/12/553816812.db2.gz GYGGDNJBVORGNI-UHFFFAOYSA-N 0 0 458.628 2.878 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCc3ccco3)cc2c1 ZINC000000880043 553816823 /nfs/dbraw/zinc/81/68/23/553816823.db2.gz OTLUKXFFFVZOAZ-UHFFFAOYSA-N 0 0 470.595 2.729 40 0 JFABRN O=C(Cn1nnc(-c2cccs2)n1)N(C[C@H]1CCCO1)[C@@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000000887302 553825726 /nfs/dbraw/zinc/82/57/26/553825726.db2.gz QRRPRPSNRLUMAC-DENIHFKCSA-N 0 0 495.609 2.604 40 0 JFABRN CC(C)c1ccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)Cn2nnc(-c3cccs3)n2)cc1 ZINC000000887637 553825841 /nfs/dbraw/zinc/82/58/41/553825841.db2.gz UITYQPJLTFIUEO-LJQANCHMSA-N 0 0 468.583 2.853 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCN1CCOCC1)C(=S)Nc1ccc(F)cc1)OCCO3 ZINC000000891210 553828571 /nfs/dbraw/zinc/82/85/71/553828571.db2.gz CEFJSPPDEJALBO-UHFFFAOYSA-N 0 0 498.580 2.970 40 0 JFABRN CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)N4CCOCC4)n3C)cs2)cc1 ZINC000000919706 553850966 /nfs/dbraw/zinc/85/09/66/553850966.db2.gz XISZYZOFMKRMPL-UHFFFAOYSA-N 0 0 474.612 2.956 40 0 JFABRN CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)Cc3nnnn3C3CCCC3)cc2c1 ZINC000000925919 553862185 /nfs/dbraw/zinc/86/21/85/553862185.db2.gz UKRHCBHNFPGSBJ-UHFFFAOYSA-N 0 0 465.602 2.527 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(F)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000000926047 553862422 /nfs/dbraw/zinc/86/24/22/553862422.db2.gz XEQKAKLYUBFBKO-UHFFFAOYSA-N 0 0 478.528 2.982 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000000928117 553865471 /nfs/dbraw/zinc/86/54/71/553865471.db2.gz HRADQDVJKRJUML-UHFFFAOYSA-N 0 0 482.566 2.740 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000000928123 553865564 /nfs/dbraw/zinc/86/55/64/553865564.db2.gz JFLCXKKHYRIPAF-UHFFFAOYSA-N 0 0 490.564 2.721 40 0 JFABRN CCOc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000000930453 553867998 /nfs/dbraw/zinc/86/79/98/553867998.db2.gz ITKXBWVWOQYIIN-UHFFFAOYSA-N 0 0 479.562 2.612 40 0 JFABRN COc1cccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1OC ZINC000000933123 553871571 /nfs/dbraw/zinc/87/15/71/553871571.db2.gz PCWDKWAYDJQTOF-UHFFFAOYSA-N 0 0 476.576 2.742 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000001062113 553903458 /nfs/dbraw/zinc/90/34/58/553903458.db2.gz OYGJAVOFBMWGNO-ZRELAVNMSA-N 0 0 482.533 2.955 40 0 JFABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000001225136 553936027 /nfs/dbraw/zinc/93/60/27/553936027.db2.gz ZDEMWNAKUNMRIG-UHFFFAOYSA-N 0 0 458.519 2.729 40 0 JFABRN CC(C)CN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NCc1ccccc1 ZINC000001380939 553965692 /nfs/dbraw/zinc/96/56/92/553965692.db2.gz TUSAMHOPZWSNTH-YWZYQIPGSA-N 0 0 477.536 2.887 40 0 JFABRN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002139634 554063571 /nfs/dbraw/zinc/06/35/71/554063571.db2.gz PSMKLWAWNWTCCN-BBWFWOEESA-N 0 0 478.549 2.961 40 0 JFABRN Cc1ccc(-n2nnnc2-c2cnc(NCCC[C@H]([NH3+])C(=O)[O-])nc2-c2cccc(F)c2)cc1 ZINC000002389205 554178858 /nfs/dbraw/zinc/17/88/58/554178858.db2.gz WVSOAZSOASFGLB-IBGZPJMESA-N 0 0 462.489 2.838 40 0 JFABRN COc1ccc(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccc(N(C)C)cc3)n2)cc1 ZINC000005397756 554489927 /nfs/dbraw/zinc/48/99/27/554489927.db2.gz ZQYBKCVEHADYDJ-CJRSTVEYSA-N 0 0 475.549 2.595 40 0 biogenic,in-vitro JFABRN COc1c(OC(C)=O)c(OC(C)=O)cc2c1-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000005766424 554494113 /nfs/dbraw/zinc/49/41/13/554494113.db2.gz JOXUTUJJDZMYKT-SFHVURJKSA-N 0 0 455.463 2.705 40 0 JFABRN CC(C)CCNC(=O)[C@H](c1ccco1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(O)c1 ZINC000006134607 554506507 /nfs/dbraw/zinc/50/65/07/554506507.db2.gz SPMAMDRSZSEGSC-SFHVURJKSA-N 0 0 471.539 2.673 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC(C)CC3)cc2c1 ZINC000006196969 554518895 /nfs/dbraw/zinc/51/88/95/554518895.db2.gz KSBIMSZACOWICP-SIKLNZKXSA-N 0 0 452.559 2.914 40 0 JFABRN COCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000006239049 554520604 /nfs/dbraw/zinc/52/06/04/554520604.db2.gz LOHSOMNIFVQYPG-UHFFFAOYSA-N 0 0 455.536 2.789 40 0 JFABRN NC(=O)c1nsc(C(=O)N([C@@H](C(=O)NCc2ccccc2)c2ccncc2)C2CCCC2)c1N ZINC000006446235 554540562 /nfs/dbraw/zinc/54/05/62/554540562.db2.gz PEOLNMOFKZMONU-HXUWFJFHSA-N 0 0 478.578 2.662 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000006488296 554545684 /nfs/dbraw/zinc/54/56/84/554545684.db2.gz XFMUERNMRGROMZ-KIHONOKQSA-N 0 0 492.553 2.844 40 0 JFABRN CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006501056 554547179 /nfs/dbraw/zinc/54/71/79/554547179.db2.gz HMSCVOYMJCJPEF-HNNXBMFYSA-N 0 0 489.598 2.716 40 0 JFABRN CCC[C@@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC ZINC000006501204 554547427 /nfs/dbraw/zinc/54/74/27/554547427.db2.gz XUZKCYOTSZDSMP-HNNXBMFYSA-N 0 0 461.588 2.811 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccc(OC)c1 ZINC000006552293 554551415 /nfs/dbraw/zinc/55/14/15/554551415.db2.gz MMNQAEVIWKEAIY-DEOSSOPVSA-N 0 0 499.564 2.600 40 0 JFABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 ZINC000006599466 554554303 /nfs/dbraw/zinc/55/43/03/554554303.db2.gz XUBANDFVEAPYBI-UHFFFAOYSA-N 0 0 489.535 2.871 40 0 JFABRN CC[C@@H](C(=O)NCc1ccccc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 ZINC000006631881 554557075 /nfs/dbraw/zinc/55/70/75/554557075.db2.gz UDEKOWUOPBWQLD-KRWDZBQOSA-N 0 0 451.552 2.874 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCCCCC1)OCCO3 ZINC000008752224 554653922 /nfs/dbraw/zinc/65/39/22/554653922.db2.gz XXLFWQIECRDDGJ-HTAPYJJXSA-N 0 0 466.542 2.843 40 0 JFABRN COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5ccc(NC(C)=O)cc5)C(=O)[C@@H]24)O3)cc(OC)c1OC ZINC000008764501 554664924 /nfs/dbraw/zinc/66/49/24/554664924.db2.gz JGTYYGOXBQQZLB-PVFWEKFRSA-N 0 0 493.516 2.596 40 0 JFABRN COc1cc(C(=O)NC(=S)Nc2ccc(I)cn2)cc(OC)c1OC ZINC000008831060 554720935 /nfs/dbraw/zinc/72/09/35/554720935.db2.gz FESOBEAASZPCQV-UHFFFAOYSA-N 0 0 473.292 2.839 40 0 JFABRN CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000008877382 554772703 /nfs/dbraw/zinc/77/27/03/554772703.db2.gz JNTQSSGVHLUIBL-GLPVALQZSA-N 0 0 464.643 2.883 40 0 biogenic JFABRN CCOC(=O)N1CCN(C(=O)/C(=C/c2cccs2)NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000008934821 554829597 /nfs/dbraw/zinc/82/95/97/554829597.db2.gz ZAWSZEUQDMHUFN-SDXDJHTJSA-N 0 0 473.551 2.837 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000009011605 554864293 /nfs/dbraw/zinc/86/42/93/554864293.db2.gz OTIZIBQXUZZEBH-UHFFFAOYSA-N 0 0 461.430 2.830 40 0 JFABRN CCOC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccccc3Cl)c(=O)n12 ZINC000009367763 555130535 /nfs/dbraw/zinc/13/05/35/555130535.db2.gz GDVANGWYXBHSGF-ZBZZQJLTSA-N 0 0 454.935 2.903 40 0 JFABRN CCC[C@H](C(=O)NC(C)(C)CC)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013150992 555357661 /nfs/dbraw/zinc/35/76/61/555357661.db2.gz SCGMTFSIUKYEIQ-AZUAARDMSA-N 0 0 485.622 2.585 40 0 JFABRN CC[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000013151033 555357945 /nfs/dbraw/zinc/35/79/45/555357945.db2.gz XQELXUWLQACHHO-QFIPXVFZSA-N 0 0 485.562 2.695 40 0 JFABRN CCCCOc1ccc(N(CC(=O)NCCOC)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000013151155 555358799 /nfs/dbraw/zinc/35/87/99/555358799.db2.gz GTFWXKLPWWNJMD-UHFFFAOYSA-N 0 0 456.543 2.775 40 0 JFABRN CC(=O)c1ccc(O[C@@H]2O[C@H]3CO[C@H](c4cccc(Br)c4)O[C@@H]3[C@@H](O)[C@@H]2O)cc1 ZINC000009592176 555406271 /nfs/dbraw/zinc/40/62/71/555406271.db2.gz FPFBRQIPKFIBQG-HXIANDDZSA-N 0 0 465.296 2.591 40 0 JFABRN CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013495559 555408140 /nfs/dbraw/zinc/40/81/40/555408140.db2.gz BMSVTIBRIMWQGY-ZJOUEHCJSA-N 0 0 496.568 2.555 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495729 555408795 /nfs/dbraw/zinc/40/87/95/555408795.db2.gz CTQWPXHCPUJFBP-LJQANCHMSA-N 0 0 494.508 2.553 40 0 JFABRN CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC(=O)Nc3ccccc3)C3CC3)cc2)CC1 ZINC000013496984 555412547 /nfs/dbraw/zinc/41/25/47/555412547.db2.gz CSNMEWRSNNNZPM-UHFFFAOYSA-N 0 0 491.635 2.899 40 0 JFABRN CCC[C@@H](c1nnnn1CC(=O)OCC)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500887 555444729 /nfs/dbraw/zinc/44/47/29/555444729.db2.gz VJPSAXQTNKNOAY-UNMCSNQZSA-N 0 0 482.585 2.909 40 0 JFABRN CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501060 555446737 /nfs/dbraw/zinc/44/67/37/555446737.db2.gz NSXKAYGOJVHDDI-JTHBVZDNSA-N 0 0 484.601 2.818 40 0 JFABRN CC(C)CCNC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1nccs1 ZINC000013501933 555451966 /nfs/dbraw/zinc/45/19/66/555451966.db2.gz GDPIBBHHVANUHG-UHFFFAOYSA-N 0 0 460.556 2.782 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccccc1F ZINC000013502456 555455184 /nfs/dbraw/zinc/45/51/84/555455184.db2.gz GHDRKJHSCSLJLP-HSZRJFAPSA-N 0 0 465.485 2.696 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1cccc(OC)c1 ZINC000013502468 555455318 /nfs/dbraw/zinc/45/53/18/555455318.db2.gz TWVACRTWGFFDAF-XMMPIXPASA-N 0 0 477.521 2.566 40 0 JFABRN CCC[C@@H](C(=O)NC[C@@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1cccc(F)c1 ZINC000013502832 555457555 /nfs/dbraw/zinc/45/75/55/555457555.db2.gz SVAFHWMACRYMCS-UNMCSNQZSA-N 0 0 491.585 2.601 40 0 JFABRN CCC[C@H](C(=O)NC[C@@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000013502851 555457931 /nfs/dbraw/zinc/45/79/31/555457931.db2.gz GMVXCGOYUHEDFB-RBBKRZOGSA-N 0 0 491.585 2.601 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccco2)[C@H](C(=O)NC2CCCC2)C(C)C)cc1 ZINC000013502923 555458207 /nfs/dbraw/zinc/45/82/07/555458207.db2.gz HKNXOFQGTCCFJT-QHCPKHFHSA-N 0 0 475.611 2.979 40 0 JFABRN CCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(OC)cc1 ZINC000013503025 555458765 /nfs/dbraw/zinc/45/87/65/555458765.db2.gz BXMFYJSVFMFYRC-HXUWFJFHSA-N 0 0 479.599 2.679 40 0 JFABRN COc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccco2)[C@H](C(=O)NC(C)(C)C)C(C)C)cc1 ZINC000013503023 555458804 /nfs/dbraw/zinc/45/88/04/555458804.db2.gz JQJCZCUWHPRUGP-NRFANRHFSA-N 0 0 479.599 2.535 40 0 JFABRN CCC[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCC1 ZINC000013503064 555459108 /nfs/dbraw/zinc/45/91/08/555459108.db2.gz TYKDAURZXZQOJA-OAQYLSRUSA-N 0 0 479.574 2.953 40 0 JFABRN COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)c2cc(C)ccc2C)cc1 ZINC000013503050 555459121 /nfs/dbraw/zinc/45/91/21/555459121.db2.gz NLNQRTHPXCFLEG-UHFFFAOYSA-N 0 0 485.562 2.533 40 0 JFABRN COc1cc([C@@H](c2nnnn2C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc(OC)c1OC ZINC000013503935 555462131 /nfs/dbraw/zinc/46/21/31/555462131.db2.gz RZMHGPQGLZQKTI-QFIPXVFZSA-N 0 0 496.568 2.954 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013504452 555463842 /nfs/dbraw/zinc/46/38/42/555463842.db2.gz GEADHIJDGWQAMA-NFBKMPQASA-N 0 0 452.534 2.911 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000013504501 555464142 /nfs/dbraw/zinc/46/41/42/555464142.db2.gz DEDYXPDSPHGVIC-QPPBQGQZSA-N 0 0 482.560 2.920 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(F)c(Cl)c2)no1 ZINC000013505872 555468547 /nfs/dbraw/zinc/46/85/47/555468547.db2.gz YAZRXHAZCQKAJR-HNNXBMFYSA-N 0 0 466.897 2.823 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(F)c(Cl)c2)no1 ZINC000013505873 555468567 /nfs/dbraw/zinc/46/85/67/555468567.db2.gz YAZRXHAZCQKAJR-OAHLLOKOSA-N 0 0 466.897 2.823 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013506262 555470561 /nfs/dbraw/zinc/47/05/61/555470561.db2.gz HHRGQVHIHGYBQW-QFIPXVFZSA-N 0 0 489.569 2.809 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(C)o1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013508428 555478698 /nfs/dbraw/zinc/47/86/98/555478698.db2.gz UMZSZRBIVJRPKW-RUZDIDTESA-N 0 0 475.549 2.908 40 0 JFABRN COCCNC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC ZINC000013508702 555479381 /nfs/dbraw/zinc/47/93/81/555479381.db2.gz PXBLNYYWYMVETF-RUZDIDTESA-N 0 0 473.533 2.977 40 0 JFABRN COCCNC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC ZINC000013508700 555479393 /nfs/dbraw/zinc/47/93/93/555479393.db2.gz PXBLNYYWYMVETF-VWLOTQADSA-N 0 0 473.533 2.977 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(CCC(C)C)C(=O)Cn1nnc2ccccc21 ZINC000013509165 555480495 /nfs/dbraw/zinc/48/04/95/555480495.db2.gz ARWXZHGGPZSHGB-XMMPIXPASA-N 0 0 467.570 2.819 40 0 JFABRN CCc1ccc([C@H](C(=O)NCCOC)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013509130 555480544 /nfs/dbraw/zinc/48/05/44/555480544.db2.gz ZXGUTALSAPOHNB-PXDATVDWSA-N 0 0 479.581 2.505 40 0 JFABRN CCOc1ccccc1[C@@H](C(=O)NCCOC)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013509212 555480858 /nfs/dbraw/zinc/48/08/58/555480858.db2.gz SJQQEJPRDYIKHC-VWLOTQADSA-N 0 0 491.548 2.956 40 0 JFABRN COCCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1C ZINC000013509278 555481068 /nfs/dbraw/zinc/48/10/68/555481068.db2.gz MVQDSMUWWPPQLD-VWLOTQADSA-N 0 0 472.549 2.980 40 0 JFABRN O=C(Nc1cccc2c1CCCC2)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000013513478 555484212 /nfs/dbraw/zinc/48/42/12/555484212.db2.gz UEMAWYAJJYYOLJ-UHFFFAOYSA-N 0 0 466.567 2.581 40 0 JFABRN Cn1c(SCc2cccnc2)nnc1C1CCN(Cc2nnnn2Cc2cccs2)CC1 ZINC000013565111 555500935 /nfs/dbraw/zinc/50/09/35/555500935.db2.gz NXWHQNXNZNWAGH-UHFFFAOYSA-N 0 0 467.628 2.978 40 0 JFABRN O=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)Nc1ccccc1F ZINC000013565378 555501526 /nfs/dbraw/zinc/50/15/26/555501526.db2.gz YUQMVQPOJVEQRB-UHFFFAOYSA-N 0 0 476.574 2.885 40 0 JFABRN CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000013565725 555502635 /nfs/dbraw/zinc/50/26/35/555502635.db2.gz LFIVTUVYFMLAPL-DEOSSOPVSA-N 0 0 497.592 2.996 40 0 JFABRN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N1CCN(c2ccccc2F)CC1 ZINC000013572547 555511270 /nfs/dbraw/zinc/51/12/70/555511270.db2.gz SDEIZBNEKIDYGN-ZWKOTPCHSA-N 0 0 486.638 2.773 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000019856091 555513646 /nfs/dbraw/zinc/51/36/46/555513646.db2.gz NFBVIEORVKDMOI-UHFFFAOYSA-N 0 0 484.530 2.944 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)ccc1Cl ZINC000019856197 555514209 /nfs/dbraw/zinc/51/42/09/555514209.db2.gz WFGUHEAQBWGDCT-UHFFFAOYSA-N 0 0 456.904 2.549 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 ZINC000019856219 555514598 /nfs/dbraw/zinc/51/45/98/555514598.db2.gz MBBCVDDLKWGNDF-UHFFFAOYSA-N 0 0 468.915 2.626 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000019856270 555514807 /nfs/dbraw/zinc/51/48/07/555514807.db2.gz CDHAJONZQXOWOK-UHFFFAOYSA-N 0 0 488.440 2.683 40 0 JFABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000019856822 555517718 /nfs/dbraw/zinc/51/77/18/555517718.db2.gz MGSCLWZVRNCQSZ-UHFFFAOYSA-N 0 0 453.948 2.893 40 0 JFABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000019867609 555521761 /nfs/dbraw/zinc/52/17/61/555521761.db2.gz SSBOJBBKIIHHTE-OAQYLSRUSA-N 0 0 485.606 2.776 40 0 JFABRN COc1ccc(-c2cc(=O)[nH]c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC ZINC000013611343 555534416 /nfs/dbraw/zinc/53/44/16/555534416.db2.gz ZCYCJZQTARCYGM-UHFFFAOYSA-N 0 0 450.495 2.505 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1F ZINC000019934798 555552274 /nfs/dbraw/zinc/55/22/74/555552274.db2.gz IDQQCTBATWNZTN-UHFFFAOYSA-N 0 0 488.507 2.806 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(C(=S)NCCCN1CCOCC1)C1CCCCC1)OCO3 ZINC000019940461 555558531 /nfs/dbraw/zinc/55/85/31/555558531.db2.gz OOYSVJYTSPWMLH-UHFFFAOYSA-N 0 0 486.638 2.988 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(C(=S)NCCCN1CCOCC1)C1CCCC1)OCO3 ZINC000019940510 555558851 /nfs/dbraw/zinc/55/88/51/555558851.db2.gz IILTVSXEIHNAMW-UHFFFAOYSA-N 0 0 472.611 2.598 40 0 JFABRN CCOCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019940998 555559457 /nfs/dbraw/zinc/55/94/57/555559457.db2.gz PBWZKOZPKGVXSM-UHFFFAOYSA-N 0 0 474.671 2.970 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1F ZINC000019941171 555560035 /nfs/dbraw/zinc/56/00/35/555560035.db2.gz MJSKOPZZJSOIHF-NJHFVCTFSA-N 0 0 479.549 2.988 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C(=O)N1CCOCC1 ZINC000013672118 555563897 /nfs/dbraw/zinc/56/38/97/555563897.db2.gz YLSIHOKFSYAGHQ-LJQANCHMSA-N 0 0 460.552 2.748 40 0 JFABRN COc1ccc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1C(=O)N1CCOCC1 ZINC000013675211 555566393 /nfs/dbraw/zinc/56/63/93/555566393.db2.gz NLVLRAXSLLWGHH-UHFFFAOYSA-N 0 0 476.595 2.866 40 0 JFABRN COC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000013675536 555566615 /nfs/dbraw/zinc/56/66/15/555566615.db2.gz KUCNLYRECPLHGK-UHFFFAOYSA-N 0 0 476.551 2.554 40 0 JFABRN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1OC ZINC000013678117 555569213 /nfs/dbraw/zinc/56/92/13/555569213.db2.gz XRICLTIPTNCPNB-UHFFFAOYSA-N 0 0 493.538 2.796 40 0 JFABRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(I)cc2)Oc2ccccc21 ZINC000013678528 555569751 /nfs/dbraw/zinc/56/97/51/555569751.db2.gz YDEDTQZLOJVFRC-INIZCTEOSA-N 0 0 472.304 2.847 40 0 JFABRN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1OC ZINC000009973363 555574011 /nfs/dbraw/zinc/57/40/11/555574011.db2.gz MAWJIEXNGUHGSY-UHFFFAOYSA-N 0 0 459.503 2.632 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000019972832 555574599 /nfs/dbraw/zinc/57/45/99/555574599.db2.gz VNYTYAVXGNXXRU-HSZRJFAPSA-N 0 0 477.544 2.520 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000020005613 555579982 /nfs/dbraw/zinc/57/99/82/555579982.db2.gz PKQPWWXXBIBVER-HXUWFJFHSA-N 0 0 498.557 2.639 40 0 JFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NCCOC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013686628 555580247 /nfs/dbraw/zinc/58/02/47/555580247.db2.gz HWIJVIZSTSGITE-NRFANRHFSA-N 0 0 461.584 2.863 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1Cl ZINC000020006052 555580412 /nfs/dbraw/zinc/58/04/12/555580412.db2.gz BNKBDWAMROTHAA-FQEVSTJZSA-N 0 0 459.955 2.950 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000020009483 555584890 /nfs/dbraw/zinc/58/48/90/555584890.db2.gz XLSYCVYOJGWIKB-IBGZPJMESA-N 0 0 459.955 2.950 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000020009492 555584930 /nfs/dbraw/zinc/58/49/30/555584930.db2.gz RBRBZVSSTPAVTI-LJQANCHMSA-N 0 0 459.955 2.950 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2cccc(Br)c2)cc1OC ZINC000020013078 555589192 /nfs/dbraw/zinc/58/91/92/555589192.db2.gz RYUXRTLBHBPPOI-CYBMUJFWSA-N 0 0 471.373 2.964 40 0 JFABRN CC[C@@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713575 555591190 /nfs/dbraw/zinc/59/11/90/555591190.db2.gz GRPOSNUZUDJRNG-IBGZPJMESA-N 0 0 453.586 2.574 40 0 JFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1OC ZINC000020016703 555592570 /nfs/dbraw/zinc/59/25/70/555592570.db2.gz YMNOCFATIRNVLW-UHFFFAOYSA-N 0 0 462.568 2.738 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(OC)c(OC)c3)C2)cc1C ZINC000020016787 555592844 /nfs/dbraw/zinc/59/28/44/555592844.db2.gz PWCBTLMPCUFPPX-SFHVURJKSA-N 0 0 462.568 2.738 40 0 JFABRN CC[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716472 555593903 /nfs/dbraw/zinc/59/39/03/555593903.db2.gz PMOVZZGINZWPEV-QFIPXVFZSA-N 0 0 487.622 2.921 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3OC)CC2)c1 ZINC000020018065 555593971 /nfs/dbraw/zinc/59/39/71/555593971.db2.gz ATMLZFOHMDDARK-INIZCTEOSA-N 0 0 462.568 2.991 40 0 JFABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000020020598 555597606 /nfs/dbraw/zinc/59/76/06/555597606.db2.gz RSGFNVJMBLXCTL-OAHLLOKOSA-N 0 0 483.384 2.726 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000010040269 555604952 /nfs/dbraw/zinc/60/49/52/555604952.db2.gz BTCIESMBINSAHA-VWLOTQADSA-N 0 0 480.542 2.557 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)c2cc(OC)c(OC)cc2N(C)S(C)(=O)=O)cc1OC ZINC000020030145 555605194 /nfs/dbraw/zinc/60/51/94/555605194.db2.gz SVZGZEHCGFAGPH-CYBMUJFWSA-N 0 0 452.529 2.608 40 0 JFABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)cc1OC ZINC000010041653 555606228 /nfs/dbraw/zinc/60/62/28/555606228.db2.gz RTNGMLZNZRRKFW-MORCLJERSA-N 0 0 487.626 2.949 40 0 JFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1OC ZINC000020035124 555609433 /nfs/dbraw/zinc/60/94/33/555609433.db2.gz MAWKSNLZYBMBBX-UHFFFAOYSA-N 0 0 450.532 2.701 40 0 JFABRN Cc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@@H]2CCCO2)cc1 ZINC000013764070 555612892 /nfs/dbraw/zinc/61/28/92/555612892.db2.gz OBOJDHCVOMKVGH-IBGZPJMESA-N 0 0 470.547 2.978 40 0 JFABRN CCOc1ccccc1CCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000010111068 555621845 /nfs/dbraw/zinc/62/18/45/555621845.db2.gz KYWQBXFYVWQIQF-UHFFFAOYSA-N 0 0 462.568 2.762 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCc2ccccc2C1)OCO3 ZINC000020080802 555629860 /nfs/dbraw/zinc/62/98/60/555629860.db2.gz HBZWGWGVYPXUBG-YADARESESA-N 0 0 486.532 2.570 40 0 JFABRN CC[C@H](C)NC(=S)N(CCCN1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020081373 555630211 /nfs/dbraw/zinc/63/02/11/555630211.db2.gz YJMTWGGUEVOQNY-KRWDZBQOSA-N 0 0 476.643 2.743 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020083674 555631213 /nfs/dbraw/zinc/63/12/13/555631213.db2.gz FSNOVMLAILBRTH-XMMPIXPASA-N 0 0 491.571 2.829 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020083357 555631231 /nfs/dbraw/zinc/63/12/31/555631231.db2.gz LJCZZONXXMNKGW-XMMPIXPASA-N 0 0 491.571 2.829 40 0 JFABRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000010157522 555638600 /nfs/dbraw/zinc/63/86/00/555638600.db2.gz XKNMFHHDWSQDOX-SFTDATJTSA-N 0 0 470.957 2.877 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)cc1Cl ZINC000020106410 555640004 /nfs/dbraw/zinc/64/00/04/555640004.db2.gz DWYXXHMXFOYRCJ-UHFFFAOYSA-N 0 0 451.932 2.880 40 0 JFABRN COc1ccccc1NC(=O)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000020109264 555645281 /nfs/dbraw/zinc/64/52/81/555645281.db2.gz HFRCHCFLQVGHOB-UHFFFAOYSA-N 0 0 480.521 2.632 40 0 JFABRN CC(C)CCNC(=O)[C@@H](c1cccs1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21 ZINC000020109328 555645310 /nfs/dbraw/zinc/64/53/10/555645310.db2.gz WJOFVDIEZGZPAK-XMMPIXPASA-N 0 0 498.653 2.557 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 ZINC000020111269 555647813 /nfs/dbraw/zinc/64/78/13/555647813.db2.gz YGBOMNJLQPMCQO-UHFFFAOYSA-N 0 0 495.623 2.727 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3-n3ccnc3)C2)cc1 ZINC000020112753 555650200 /nfs/dbraw/zinc/65/02/00/555650200.db2.gz YMDMCIVAVIUTTQ-LJQANCHMSA-N 0 0 454.552 2.598 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(OC)c(OC)c2)C1C(=O)c1ccc(Cl)cc1 ZINC000010231951 555655652 /nfs/dbraw/zinc/65/56/52/555655652.db2.gz MTPLRDJWWDCMBS-GOSISDBHSA-N 0 0 455.858 2.669 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2cccc(Br)c2)C1C(=O)c1cccc(OC)c1 ZINC000010232327 555656894 /nfs/dbraw/zinc/65/68/94/555656894.db2.gz NMSAGXBZBPKZDK-QGZVFWFLSA-N 0 0 470.283 2.769 40 0 JFABRN COc1ccc(CCN2CCCn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)cc1OC ZINC000010250117 555660626 /nfs/dbraw/zinc/66/06/26/555660626.db2.gz FXXHNRYUKAQSRS-UHFFFAOYSA-N 0 0 493.539 2.554 40 0 JFABRN COCCCn1c2nnc(SCC(=O)c3[nH]c(C)c(C(=O)OC)c3C)n2c2ccccc2c1=O ZINC000010266333 555664772 /nfs/dbraw/zinc/66/47/72/555664772.db2.gz CWKFCHWMJQMTNP-UHFFFAOYSA-N 0 0 483.550 2.787 40 0 JFABRN COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000020150630 555666631 /nfs/dbraw/zinc/66/66/31/555666631.db2.gz OZRQGFYSBQVKDI-VWEIPLKFSA-N 0 0 484.574 2.819 40 0 JFABRN CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000020150730 555666969 /nfs/dbraw/zinc/66/69/69/555666969.db2.gz SXLYGBGVPSJFHR-OYSWMMLKSA-N 0 0 480.517 2.716 40 0 JFABRN COc1cccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000010299962 555676670 /nfs/dbraw/zinc/67/66/70/555676670.db2.gz YRDWNHOLYMTBOY-UHFFFAOYSA-N 0 0 455.536 2.919 40 0 JFABRN CCOc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300187 555676883 /nfs/dbraw/zinc/67/68/83/555676883.db2.gz AYSMKBXBWFTCKT-FQEVSTJZSA-N 0 0 462.568 2.893 40 0 JFABRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)c(OC)c1 ZINC000010303102 555678661 /nfs/dbraw/zinc/67/86/61/555678661.db2.gz LRFPETIUFXRILJ-UHFFFAOYSA-N 0 0 452.504 2.891 40 0 JFABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000010315244 555681994 /nfs/dbraw/zinc/68/19/94/555681994.db2.gz XCOZLIDYSAUOQP-UHFFFAOYSA-N 0 0 494.639 2.561 40 0 JFABRN C[C@H]1Cc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010325946 555684596 /nfs/dbraw/zinc/68/45/96/555684596.db2.gz YHOVIIMBFROCGS-HNNXBMFYSA-N 0 0 471.560 2.726 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000010333216 555688907 /nfs/dbraw/zinc/68/89/07/555688907.db2.gz YQIOOVZVJKISEQ-HNNXBMFYSA-N 0 0 462.524 2.670 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000010359415 555696479 /nfs/dbraw/zinc/69/64/79/555696479.db2.gz XQUDKESTSGGTHS-HNNXBMFYSA-N 0 0 462.524 2.670 40 0 JFABRN CN(C)S(=O)(=O)N1CCC(C(=O)NCCSCc2ccc(Cl)cc2Cl)CC1 ZINC000010433911 555708509 /nfs/dbraw/zinc/70/85/09/555708509.db2.gz MYLOYDFFDXTXBE-UHFFFAOYSA-N 0 0 454.445 2.861 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1C(=O)N1CCCCC1 ZINC000010543869 555725806 /nfs/dbraw/zinc/72/58/06/555725806.db2.gz XFMPIFRTFGYVDR-UHFFFAOYSA-N 0 0 478.567 2.826 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000020234200 555725932 /nfs/dbraw/zinc/72/59/32/555725932.db2.gz BKCRDEVGOIGGRL-UHFFFAOYSA-N 0 0 469.519 2.637 40 0 JFABRN C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000010794129 555740714 /nfs/dbraw/zinc/74/07/14/555740714.db2.gz DRFBXFKDWCWREY-QMTMVMCOSA-N 0 0 472.991 2.601 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccc(F)cc1 ZINC000020245089 555740923 /nfs/dbraw/zinc/74/09/23/555740923.db2.gz UWXBGCMUUJOTMG-UHFFFAOYSA-N 0 0 477.299 2.682 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000010860698 555743918 /nfs/dbraw/zinc/74/39/18/555743918.db2.gz GFMXOMXSUNDGBX-IBGZPJMESA-N 0 0 452.463 2.666 40 0 JFABRN Cc1ccccc1Cn1c2nnc(-c3ccc(Br)cc3)n2c2c1c(=O)n(C)c(=O)n2C ZINC000010968601 555750137 /nfs/dbraw/zinc/75/01/37/555750137.db2.gz SXGWIJYCJKSMAR-UHFFFAOYSA-N 0 0 479.338 2.868 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccc2ccccc2c1 ZINC000010995421 555751680 /nfs/dbraw/zinc/75/16/80/555751680.db2.gz NLLHFJLKFQEXRW-UHFFFAOYSA-N 0 0 454.548 2.978 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000014257307 555756841 /nfs/dbraw/zinc/75/68/41/555756841.db2.gz RTPADNMPRJMLIW-YMFQVDJJSA-N 0 0 450.516 2.513 40 0 JFABRN COc1cccc(OC)c1C(=O)NC(=S)NCc1ccc(-c2nn3c(C)nnc3s2)cc1 ZINC000014269651 555759832 /nfs/dbraw/zinc/75/98/32/555759832.db2.gz WXAUZXYQUFPJOH-UHFFFAOYSA-N 0 0 468.564 2.983 40 0 JFABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000014397929 555803619 /nfs/dbraw/zinc/80/36/19/555803619.db2.gz PGALYVVSJHKTCB-UHFFFAOYSA-N 0 0 451.570 2.509 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2O1 ZINC000014571410 555835103 /nfs/dbraw/zinc/83/51/03/555835103.db2.gz YRHPCUIBKLYGFB-FQEVSTJZSA-N 0 0 478.954 2.708 40 0 JFABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000014608303 555836788 /nfs/dbraw/zinc/83/67/88/555836788.db2.gz KNYACTBCAAHTAI-INIZCTEOSA-N 0 0 452.463 2.812 40 0 JFABRN COc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc(OC)c1OC ZINC000011859117 555838582 /nfs/dbraw/zinc/83/85/82/555838582.db2.gz YCKJNMILXDCOQM-RZQQEMMASA-N 0 0 454.401 2.816 40 0 JFABRN CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000011866987 555843388 /nfs/dbraw/zinc/84/33/88/555843388.db2.gz YAQVVCZXSMJVCM-RYGBOPQRSA-N 0 0 470.566 2.701 40 0 JFABRN CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000011866989 555843393 /nfs/dbraw/zinc/84/33/93/555843393.db2.gz YAQVVCZXSMJVCM-BNJIMDBKSA-N 0 0 470.566 2.701 40 0 JFABRN CCN(C1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)S(=O)(=O)c1ccccc1 ZINC000015022419 555863981 /nfs/dbraw/zinc/86/39/81/555863981.db2.gz HOCYDYBNQTYCGN-NRFANRHFSA-N 0 0 459.543 2.633 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(N4CCOCC4)n3)CC2)cc1 ZINC000022053299 555866938 /nfs/dbraw/zinc/86/69/38/555866938.db2.gz LSMWDMUAPAKZCA-HXUWFJFHSA-N 0 0 481.622 2.842 40 0 JFABRN C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 ZINC000015198572 555883836 /nfs/dbraw/zinc/88/38/36/555883836.db2.gz UJJBOJDOAPIHDN-INIZCTEOSA-N 0 0 460.577 2.741 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 ZINC000022227602 555886460 /nfs/dbraw/zinc/88/64/60/555886460.db2.gz BVZAUAJCYYLQBC-UHFFFAOYSA-N 0 0 482.624 2.836 40 0 JFABRN CCOc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000022227928 555886990 /nfs/dbraw/zinc/88/69/90/555886990.db2.gz UYJWNTZNNZEOAV-UHFFFAOYSA-N 0 0 461.005 2.946 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000022228043 555887027 /nfs/dbraw/zinc/88/70/27/555887027.db2.gz MZFDPMWAJZHOCT-UHFFFAOYSA-N 0 0 456.561 2.530 40 0 JFABRN O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000022228274 555887401 /nfs/dbraw/zinc/88/74/01/555887401.db2.gz YOWWQTAGSDXIHH-UHFFFAOYSA-N 0 0 478.014 2.926 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000022231254 555889695 /nfs/dbraw/zinc/88/96/95/555889695.db2.gz TVEWYIUILDLFFT-UHFFFAOYSA-N 0 0 474.579 2.833 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 ZINC000022232727 555892491 /nfs/dbraw/zinc/89/24/91/555892491.db2.gz CUBUJKJMIYMYIV-UHFFFAOYSA-N 0 0 492.569 2.972 40 0 JFABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000022233003 555892711 /nfs/dbraw/zinc/89/27/11/555892711.db2.gz NZDUPFMLFOFPGU-IBGZPJMESA-N 0 0 452.960 2.980 40 0 JFABRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(N)cc3C(F)(F)F)CC2)cc1 ZINC000015307143 555895378 /nfs/dbraw/zinc/89/53/78/555895378.db2.gz ZOQOYLOHNZJFNI-UHFFFAOYSA-N 0 0 457.474 2.975 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCn2ccnc2)cc1C ZINC000022247470 555897519 /nfs/dbraw/zinc/89/75/19/555897519.db2.gz NXRKHBDNAFVETC-QFIPXVFZSA-N 0 0 470.595 2.686 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC)CC2)cc1Cl ZINC000022248205 555898597 /nfs/dbraw/zinc/89/85/97/555898597.db2.gz UPLQRJHPBLYAEV-NRFANRHFSA-N 0 0 480.030 2.792 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)COC)cc1Cl ZINC000022248275 555898934 /nfs/dbraw/zinc/89/89/34/555898934.db2.gz VTHKZQJDGDIBJR-DNVCBOLYSA-N 0 0 454.976 2.779 40 0 JFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccc(F)c(F)c1F ZINC000022250507 555900353 /nfs/dbraw/zinc/90/03/53/555900353.db2.gz CHCHUBSLGMEUID-UHFFFAOYSA-N 0 0 464.849 2.796 40 0 JFABRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000022250467 555900408 /nfs/dbraw/zinc/90/04/08/555900408.db2.gz CYWMGLIOPYOKCX-OAHLLOKOSA-N 0 0 468.959 2.626 40 0 JFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000022252906 555901306 /nfs/dbraw/zinc/90/13/06/555901306.db2.gz YTGQSPQKRPNAES-UHFFFAOYSA-N 0 0 465.547 2.591 40 0 JFABRN COc1cc(C(=O)N2CCN(C)CC2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022254135 555902660 /nfs/dbraw/zinc/90/26/60/555902660.db2.gz DHDBWELHVZNLMH-UHFFFAOYSA-N 0 0 482.002 2.711 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCOC)cc1Cl ZINC000022269361 555908042 /nfs/dbraw/zinc/90/80/42/555908042.db2.gz DVSZKVWSEOQHTP-LJQANCHMSA-N 0 0 454.976 2.781 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000015537096 555913918 /nfs/dbraw/zinc/91/39/18/555913918.db2.gz IAXJNRSQYBPWPP-UHFFFAOYSA-N 0 0 476.595 2.822 40 0 JFABRN Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000015576568 555916320 /nfs/dbraw/zinc/91/63/20/555916320.db2.gz JDFLODZRRKLJEQ-KRWDZBQOSA-N 0 0 472.542 2.663 40 0 JFABRN CN(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015638455 555921241 /nfs/dbraw/zinc/92/12/41/555921241.db2.gz HXDULDSRNBNUEM-INIZCTEOSA-N 0 0 465.959 2.508 40 0 JFABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015638769 555921289 /nfs/dbraw/zinc/92/12/89/555921289.db2.gz KEXVYALICKDTMW-LJQANCHMSA-N 0 0 471.579 2.635 40 0 JFABRN CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc2c1CCN(Cc1ccccc1)C2 ZINC000022563386 555934797 /nfs/dbraw/zinc/93/47/97/555934797.db2.gz DGUNIMHUEMRFSJ-UHFFFAOYSA-N 0 0 456.612 2.669 40 0 JFABRN CC(=O)OC[C@@H]1O[C@@H](Sc2ccc(Cl)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000012364542 555959633 /nfs/dbraw/zinc/95/96/33/555959633.db2.gz FDRTYADXAMZRMR-WPVAHCMFSA-N 0 0 474.915 2.515 40 0 JFABRN Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCN3CC[NH+](C)CC3)ccc2Cl)c1 ZINC000022934817 555987463 /nfs/dbraw/zinc/98/74/63/555987463.db2.gz BOVICCGTLKBGAG-UHFFFAOYSA-N 0 0 465.019 2.817 40 0 JFABRN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(F)c(Cl)c3)CN21)N1CCc2ccccc21 ZINC000012530408 556000339 /nfs/dbraw/zinc/00/03/39/556000339.db2.gz IEPGNQCOMONBPG-SVMVAKDDSA-N 0 0 484.959 2.520 40 0 biogenic,in-vitro JFABRN CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000023124556 556013377 /nfs/dbraw/zinc/01/33/77/556013377.db2.gz WQFTWPWHSNXTKF-UHFFFAOYSA-N 0 0 476.551 2.920 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(Cc2cccs2)C(=O)[C@@H]2[C@@H](C(=O)NCc3ccc(F)cc3)[C@H]3C=C[C@@]12O3 ZINC000012642878 556096744 /nfs/dbraw/zinc/09/67/44/556096744.db2.gz CLJFBGWDFWTDFS-QDKCGITRSA-N 0 0 497.592 2.769 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)NCc3cccs3)[C@H]3C=C[C@@]12O3 ZINC000012642672 556096751 /nfs/dbraw/zinc/09/67/51/556096751.db2.gz WBERAOVVTLXGMQ-PDGNJTGUSA-N 0 0 465.575 2.634 40 0 JFABRN Cc1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccccc4F)CC2)[nH]c3=O)cc1 ZINC000015987584 556101559 /nfs/dbraw/zinc/10/15/59/556101559.db2.gz ZKMZNWQIORKQFN-UHFFFAOYSA-N 0 0 482.541 2.579 40 0 JFABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000015987582 556101649 /nfs/dbraw/zinc/10/16/49/556101649.db2.gz NWXYAWUTOHYXMB-UHFFFAOYSA-N 0 0 486.504 2.822 40 0 JFABRN Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000023958294 556106844 /nfs/dbraw/zinc/10/68/44/556106844.db2.gz OHAWZNSXTMSQGH-UHFFFAOYSA-N 0 0 471.623 2.932 40 0 JFABRN CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012868290 556120611 /nfs/dbraw/zinc/12/06/11/556120611.db2.gz JNTQSSGVHLUIBL-YUCJLLAJSA-N 0 0 464.643 2.883 40 0 biogenic JFABRN COC(=O)[C@@H](C(=O)C(=O)N[C@H]1Nc2ccc(C)cc2S1)c1nc2ccc(Cl)cc2[nH]c1=O ZINC000016958150 556189225 /nfs/dbraw/zinc/18/92/25/556189225.db2.gz VIXLQFGANPCWNB-QVKFZJNVSA-N 0 0 472.910 2.741 40 0 JFABRN CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(CCOC)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013029234 556223659 /nfs/dbraw/zinc/22/36/59/556223659.db2.gz MFHPODVUTLXIRC-XMMPIXPASA-N 0 0 497.596 2.970 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000026110474 556242545 /nfs/dbraw/zinc/24/25/45/556242545.db2.gz PZLSPISIORILKG-HNNXBMFYSA-N 0 0 492.425 2.836 40 0 JFABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)Oc2ccccc21 ZINC000026112668 556243831 /nfs/dbraw/zinc/24/38/31/556243831.db2.gz RKYLHIWUZCHIRW-OAQYLSRUSA-N 0 0 469.519 2.765 40 0 JFABRN COc1ccccc1NC(=O)N1CCC(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(C)=O)CC1 ZINC000013084816 556282194 /nfs/dbraw/zinc/28/21/94/556282194.db2.gz WGCIJJZHNNGYGJ-OAQYLSRUSA-N 0 0 456.518 2.694 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@@H](Cc3ccccc3C)NC(C)=O)CC2)c1 ZINC000013084901 556282568 /nfs/dbraw/zinc/28/25/68/556282568.db2.gz DAOYNWCBSMYJJG-HSZRJFAPSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccccc1NC(=O)N1CCC(NC(=O)[C@@H](Cc2ccccc2F)NC(C)=O)CC1 ZINC000013085187 556283232 /nfs/dbraw/zinc/28/32/32/556283232.db2.gz VNYHPWPDLWZKHV-OAQYLSRUSA-N 0 0 456.518 2.694 40 0 JFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000013085285 556283812 /nfs/dbraw/zinc/28/38/12/556283812.db2.gz CLCFIDRMTLSKOW-OAQYLSRUSA-N 0 0 456.518 2.694 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3F)CC2)c(OC)c1 ZINC000013085366 556283822 /nfs/dbraw/zinc/28/38/22/556283822.db2.gz PYHYKWJQNYBISB-JOCHJYFZSA-N 0 0 486.544 2.703 40 0 JFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000013085293 556283838 /nfs/dbraw/zinc/28/38/38/556283838.db2.gz OWKSOKDNEAJABR-OAQYLSRUSA-N 0 0 456.518 2.694 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1OC ZINC000013085438 556284041 /nfs/dbraw/zinc/28/40/41/556284041.db2.gz RYLASQXIZPOYKG-OAQYLSRUSA-N 0 0 486.544 2.703 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3F)CC2)cc1OC ZINC000013085443 556284060 /nfs/dbraw/zinc/28/40/60/556284060.db2.gz BXFYGZHODXSSFN-OAQYLSRUSA-N 0 0 486.544 2.703 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(OC)c(OC)c2)c(C)c1 ZINC000028207628 556317953 /nfs/dbraw/zinc/31/79/53/556317953.db2.gz OFFJFTSEACBXCD-UHFFFAOYSA-N 0 0 464.584 2.780 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](C(C)C)N2CCN(Cc3ccco3)CC2)cc1 ZINC000019211176 556334068 /nfs/dbraw/zinc/33/40/68/556334068.db2.gz NNDPTYPYMCWQQQ-OAQYLSRUSA-N 0 0 458.588 2.521 40 0 JFABRN O=C(COC(=O)c1ccc2c(c1)C(=O)N(CCCN1CCOCC1)C2=O)c1ccc(Cl)cc1 ZINC000019618842 556357562 /nfs/dbraw/zinc/35/75/62/556357562.db2.gz XRPIBIOEKLHCGO-UHFFFAOYSA-N 0 0 470.909 2.698 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000029882382 556359542 /nfs/dbraw/zinc/35/95/42/556359542.db2.gz QAHTZAUOIPAFMV-OAQYLSRUSA-N 0 0 492.041 2.889 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Br)c1 ZINC000030848537 556376423 /nfs/dbraw/zinc/37/64/23/556376423.db2.gz HZVYESVMRXBCKC-UHFFFAOYSA-N 0 0 466.357 2.981 40 0 JFABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000030869860 556384760 /nfs/dbraw/zinc/38/47/60/556384760.db2.gz ZWQVYXWZINIHBZ-UHFFFAOYSA-N 0 0 466.581 2.980 40 0 JFABRN C[C@H](C(=O)NCc1cc(F)cc(F)c1)[C@@H]1CC[C@@]2(C)CC[C@H](NS(C)(=O)=O)[C@@H](C)[C@@H]2[C@H]1O ZINC000030884234 556387319 /nfs/dbraw/zinc/38/73/19/556387319.db2.gz OKSPJCYBMWLNPO-SLLOQTRLSA-N 0 0 472.598 2.958 40 0 biogenic,in-vitro JFABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCCCC2)Oc2ccccc21 ZINC000030941808 556388789 /nfs/dbraw/zinc/38/87/89/556388789.db2.gz SRZRFZHLBKTOGE-NRFANRHFSA-N 0 0 457.552 2.869 40 0 JFABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)cc2c1 ZINC000019826225 556397014 /nfs/dbraw/zinc/39/70/14/556397014.db2.gz BFZUGBLLPBMQDX-ZEQKJWHPSA-N 0 0 499.619 2.909 40 0 JFABRN Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000019826434 556397057 /nfs/dbraw/zinc/39/70/57/556397057.db2.gz OZUPEJOCVUQPRO-OZXSUGGESA-N 0 0 499.619 2.909 40 0 JFABRN COc1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1Br ZINC000032125460 556430101 /nfs/dbraw/zinc/43/01/01/556430101.db2.gz UNNWHAWNWGDOIP-UHFFFAOYSA-N 0 0 468.373 2.792 40 0 JFABRN CCc1ccccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1OC ZINC000032640021 556459757 /nfs/dbraw/zinc/45/97/57/556459757.db2.gz YPFZEXGVYMKZCW-MJGOQNOKSA-N 0 0 459.593 2.971 40 0 JFABRN Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)S(C)(=O)=O ZINC000032894603 556524749 /nfs/dbraw/zinc/52/47/49/556524749.db2.gz PKIGCLQLYYQMEJ-UHFFFAOYSA-N 0 0 479.624 2.964 40 0 JFABRN C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CCN21 ZINC000514290437 560029254 /nfs/dbraw/zinc/02/92/54/560029254.db2.gz ZQYVOFJONNLWAP-DHLKQENFSA-N 0 0 455.986 2.692 40 0 biogenic,in-vitro JFABRN COc1c2c(c(C)c3c1C[C@@H]1[C@@](C)(C[C@H](O)[C@@]45O[C@@](O)(CC[C@@]14C)OC5(C)C)O3)COC2=O ZINC000247985734 560036784 /nfs/dbraw/zinc/03/67/84/560036784.db2.gz ZFKOTULZHLMUJE-SMHGGFFRSA-N 0 0 460.523 2.759 40 0 biogenic,in-vitro JFABRN COc1ccc(CN2CC3(C2)C(=O)N(Cc2ccccc2F)C(=O)[C@@H]2C[C@@H](O)CN23)c2ccccc12 ZINC000225389719 560043799 /nfs/dbraw/zinc/04/37/99/560043799.db2.gz PWQKDNOAKFONQA-YKSBVNFPSA-N 0 0 489.547 2.546 40 0 biogenic,in-vitro JFABRN Cn1c(CN2CCOC[C@H]2c2nc(-c3ccc(S(C)(=O)=O)cc3)c[nH]2)nc2ccccc21 ZINC000072322000 560076284 /nfs/dbraw/zinc/07/62/84/560076284.db2.gz MHJHTPRAHCABEY-NRFANRHFSA-N 0 0 451.552 2.940 40 0 biogenic,in-vitro JFABRN COc1ccc(CC(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4cccnc4)[C@@H]3CO)cc2)cc1 ZINC000072321243 560076659 /nfs/dbraw/zinc/07/66/59/560076659.db2.gz DANANMROHKRCPH-ZEQKJWHPSA-N 0 0 461.518 2.732 40 0 biogenic,in-vitro JFABRN O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1)c1ccnc(Cl)c1 ZINC000072321256 560076712 /nfs/dbraw/zinc/07/67/12/560076712.db2.gz NREPHMPLDLIATB-DENIHFKCSA-N 0 0 452.898 2.843 40 0 biogenic,in-vitro JFABRN COCCn1nnnc1[C@H](C(C)C)N(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000008582936 562940028 /nfs/dbraw/zinc/94/00/28/562940028.db2.gz LXVWWXRAPBLPGH-QHCPKHFHSA-N 0 0 477.569 2.964 40 0 JFABRN COc1cc2cc(CN(CCCO)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2cc1OC ZINC000008586276 562940912 /nfs/dbraw/zinc/94/09/12/562940912.db2.gz SVMOVBCYHYYSAG-UHFFFAOYSA-N 0 0 466.943 2.772 40 0 JFABRN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCN1C(=O)S/C(=C\c3ccccc3Cl)C1=O)CS2 ZINC000032990981 563110093 /nfs/dbraw/zinc/11/00/93/563110093.db2.gz XZZGSDICZHXPAY-DJSZKADPSA-N 0 0 465.984 2.947 40 0 JFABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000038140888 563131215 /nfs/dbraw/zinc/13/12/15/563131215.db2.gz JASYOPOIUHUBJK-QSCZZMGISA-N 0 0 464.643 2.850 40 0 biogenic JFABRN COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000054363276 569590161 /nfs/dbraw/zinc/59/01/61/569590161.db2.gz OZCHEXXAFUMWLO-LLVKDONJSA-N 0 0 483.395 2.656 40 0 JFABRN CSc1ccc([C@@H]2NC3=NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 ZINC000059623406 569607235 /nfs/dbraw/zinc/60/72/35/569607235.db2.gz CPQFQXWXUNEHCC-JOCHJYFZSA-N 0 0 463.611 2.634 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)C2)cc1 ZINC000033103608 569621515 /nfs/dbraw/zinc/62/15/15/569621515.db2.gz KATPIQRODGECBD-FQEVSTJZSA-N 0 0 485.606 2.900 40 0 JFABRN CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1 ZINC000033634041 569629321 /nfs/dbraw/zinc/62/93/21/569629321.db2.gz HKSKYLMAKBNGDO-UHFFFAOYSA-N 0 0 487.578 2.508 40 0 JFABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)CC1 ZINC000033654463 569629762 /nfs/dbraw/zinc/62/97/62/569629762.db2.gz VJUHGSRQQKMHQO-UHFFFAOYSA-N 0 0 463.987 2.634 40 0 JFABRN COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c1 ZINC000033687676 569630853 /nfs/dbraw/zinc/63/08/53/569630853.db2.gz YMGJQSQZVNVQPM-UHFFFAOYSA-N 0 0 464.540 2.760 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000033775955 569634308 /nfs/dbraw/zinc/63/43/08/569634308.db2.gz VYKKNOCZVAQDCI-UHFFFAOYSA-N 0 0 457.596 2.753 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OC(C)C)c([N+](=O)[O-])c3)C2=O)o1 ZINC000033782955 569634777 /nfs/dbraw/zinc/63/47/77/569634777.db2.gz QUUGEGOMZUJPTK-AUWJEWJLSA-N 0 0 459.411 2.863 40 0 JFABRN COc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@@H]23)[C@@H]2C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]42)c(OC)c1 ZINC000033821778 569635655 /nfs/dbraw/zinc/63/56/55/569635655.db2.gz RNAGIWXKFVEFRF-LJRZUCCGSA-N 0 0 476.485 2.804 40 0 JFABRN CCOC(=O)c1ccc(N2CN=c3s/c(=C/c4cccc(Br)c4)c(=O)n3C2)cc1 ZINC000033934160 569637963 /nfs/dbraw/zinc/63/79/63/569637963.db2.gz LHUGJYSDOZJEFO-WOJGMQOQSA-N 0 0 472.364 2.733 40 0 JFABRN COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000033936725 569638234 /nfs/dbraw/zinc/63/82/34/569638234.db2.gz VKLWKOGMBGLIPL-QPPBQGQZSA-N 0 0 472.549 2.850 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(Cc4ccccc4F)[C@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@]2(C)O4)no1 ZINC000033939906 569639224 /nfs/dbraw/zinc/63/92/24/569639224.db2.gz UGZBXOLTQWMBEM-SJQPQTGYSA-N 0 0 496.539 2.716 40 0 JFABRN CC(C)(C)NC(=O)[C@H]1N(Cc2cccnc2)C(=O)[C@@H]2[C@H](C(=O)Nc3ccccc3F)[C@]3(C)C=C[C@@]21O3 ZINC000033939887 569639231 /nfs/dbraw/zinc/63/92/31/569639231.db2.gz CHVLMVOAOQLBBG-FIWHOETCSA-N 0 0 492.551 2.815 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)[C@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@]2(C)O4)no1 ZINC000033939928 569639249 /nfs/dbraw/zinc/63/92/49/569639249.db2.gz CLWRQBMHDCACBI-QCWVNVONSA-N 0 0 482.512 2.721 40 0 JFABRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc2)C1 ZINC000034858841 569667677 /nfs/dbraw/zinc/66/76/77/569667677.db2.gz ARHOLYNFPHZWPK-DPOKWSEZSA-N 0 0 498.605 2.759 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccco3)C2=O)o1 ZINC000034879874 569668702 /nfs/dbraw/zinc/66/87/02/569668702.db2.gz IFFQSMYKJHSWRR-UVTDQMKNSA-N 0 0 481.373 2.880 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OC(C)=O)c([N+](=O)[O-])c3)C2=O)o1 ZINC000035074144 569674219 /nfs/dbraw/zinc/67/42/19/569674219.db2.gz FOICXJJPAXLLGA-MLPAPPSSSA-N 0 0 463.786 2.646 40 0 JFABRN CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000035084997 569674461 /nfs/dbraw/zinc/67/44/61/569674461.db2.gz OLNDHKWEXAFWCY-SFHVURJKSA-N 0 0 455.540 2.501 40 0 JFABRN CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000035084995 569674507 /nfs/dbraw/zinc/67/45/07/569674507.db2.gz OLNDHKWEXAFWCY-GOSISDBHSA-N 0 0 455.540 2.501 40 0 JFABRN COc1ccc(NC(=O)CSc2nnc(CCNC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000035125948 569675315 /nfs/dbraw/zinc/67/53/15/569675315.db2.gz AQODKNVGCYPQJW-UHFFFAOYSA-N 0 0 455.540 2.536 40 0 JFABRN CC1(C)[C@H](CC(=O)N[C@H](O)C(Cl)(Cl)Cl)C[C@@H]1C(=O)N[C@H](O)C(Cl)(Cl)Cl ZINC000035181695 569677619 /nfs/dbraw/zinc/67/76/19/569677619.db2.gz OGTLIIHRGUPOEW-NAXOPYRSSA-N 0 0 479.015 2.648 40 0 JFABRN C#CCOc1ccc(Br)cc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O ZINC000035314796 569680505 /nfs/dbraw/zinc/68/05/05/569680505.db2.gz RGRJYPMIICQABH-GDNBJRDFSA-N 0 0 459.252 2.934 40 0 JFABRN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000035363483 569682517 /nfs/dbraw/zinc/68/25/17/569682517.db2.gz FAKXREPARBMKKB-LJQANCHMSA-N 0 0 469.567 2.809 40 0 JFABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)C1=O ZINC000035401507 569691050 /nfs/dbraw/zinc/69/10/50/569691050.db2.gz IBZSUYKZYBPASB-CEITULEQSA-N 0 0 457.888 2.888 40 0 JFABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000070691531 569695689 /nfs/dbraw/zinc/69/56/89/569695689.db2.gz JASYOPOIUHUBJK-QYVFDFGXSA-N 0 0 464.643 2.850 40 0 biogenic JFABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H](CO)NC(=O)OCc4ccccc4)C3)cc2n1 ZINC000072341311 569703564 /nfs/dbraw/zinc/70/35/64/569703564.db2.gz CFOJGDXWFCCMFZ-FUHWJXTLSA-N 0 0 491.470 2.660 40 0 JFABRN CN(CCc1ccccn1)C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccccc1CNCC2=O ZINC000077267463 569705210 /nfs/dbraw/zinc/70/52/10/569705210.db2.gz UHORHRNOLNLTJN-GMAHTHKFSA-N 0 0 464.610 2.900 40 0 JFABRN CC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000095202034 569722032 /nfs/dbraw/zinc/72/20/32/569722032.db2.gz QAHPPMOIRKIBLA-NHCUHLMSSA-N 0 0 454.575 2.646 40 0 JFABRN COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(Cc4nccs4)CC3)O2)cc1 ZINC000096036689 569732287 /nfs/dbraw/zinc/73/22/87/569732287.db2.gz FHOGHPZVRKBSIT-IBGZPJMESA-N 0 0 453.568 2.555 40 0 JFABRN COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(Br)cc3)c(=O)n12 ZINC000035982223 569742890 /nfs/dbraw/zinc/74/28/90/569742890.db2.gz DZKQCGJUAUBQOZ-MYZHFFDJSA-N 0 0 485.359 2.622 40 0 JFABRN COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC)S1(=O)=O ZINC000036015038 569749051 /nfs/dbraw/zinc/74/90/51/569749051.db2.gz DGCPWCDNTJYODP-TVFCKZIOSA-N 0 0 472.346 2.877 40 0 JFABRN COC(=O)[C@@]1(CCSC)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000100422219 569759911 /nfs/dbraw/zinc/75/99/11/569759911.db2.gz QGKJXAMFYPSPLC-YGWSKSRPSA-N 0 0 496.585 2.881 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000100422487 569759933 /nfs/dbraw/zinc/75/99/33/569759933.db2.gz QGEGYURRMPKSKK-UPUUWEMXSA-N 0 0 482.558 2.710 40 0 JFABRN CCOC(=O)[C@H](C)Oc1c(Br)cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC ZINC000036612602 569777847 /nfs/dbraw/zinc/77/78/47/569777847.db2.gz DBWABUJYABVJDI-ZUZCIYMTSA-N 0 0 471.304 2.589 40 0 JFABRN O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@H]1CCCN12 ZINC000101091397 569782203 /nfs/dbraw/zinc/78/22/03/569782203.db2.gz DFFMFVYYJCWRFH-GKAYAJSDSA-N 0 0 466.335 2.876 40 0 JFABRN CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCc1ccco1 ZINC000101465210 569798593 /nfs/dbraw/zinc/79/85/93/569798593.db2.gz MRGCNXLYAARXML-SVMVAKDDSA-N 0 0 493.601 2.961 40 0 JFABRN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000101464824 569798603 /nfs/dbraw/zinc/79/86/03/569798603.db2.gz ZXQSVGNPUNLUPQ-GRGXKFILSA-N 0 0 483.634 2.781 40 0 JFABRN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)N1CCc2ccccc2C1 ZINC000101484373 569799455 /nfs/dbraw/zinc/79/94/55/569799455.db2.gz FHFLJVQFRPPXHH-PUZFROQSSA-N 0 0 487.597 2.612 40 0 JFABRN COc1ccc(NC(=O)CNC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000101490945 569799860 /nfs/dbraw/zinc/79/98/60/569799860.db2.gz JUYIZJYVQSMVEO-HDICACEKSA-N 0 0 459.568 2.535 40 0 JFABRN Cc1cc(Br)ccc1NC(=O)COc1ccccc1[C@@H]1CC(=O)N=C2NC=NN21 ZINC000038206682 569801025 /nfs/dbraw/zinc/80/10/25/569801025.db2.gz ZBOLUPCMFUIHEL-INIZCTEOSA-N 0 0 456.300 2.951 40 0 JFABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038855186 569808993 /nfs/dbraw/zinc/80/89/93/569808993.db2.gz KGFWGENAPCJZSW-IBGZPJMESA-N 0 0 465.959 2.892 40 0 JFABRN CCN1C(=O)C(=Cc2cn(CC(=O)NCCCOC)c3ccc(Br)cc23)NC1=S ZINC000039556414 569810342 /nfs/dbraw/zinc/81/03/42/569810342.db2.gz FEUBLFVNMMSYDI-SXGWCWSVSA-N 0 0 479.400 2.634 40 0 JFABRN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(=O)NCc2ccccc2)c2ccccc12 ZINC000039556628 569810571 /nfs/dbraw/zinc/81/05/71/569810571.db2.gz ASZJTEWBQFKZDY-MTJSOVHGSA-N 0 0 476.558 2.531 40 0 JFABRN CCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1cc(F)ccc1OC ZINC000039986394 569813220 /nfs/dbraw/zinc/81/32/20/569813220.db2.gz DTOZOOLUDSGIAU-JXMROGBWSA-N 0 0 475.586 2.703 40 0 JFABRN C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N=c1sccn1Cc1ccccc1Cl)CS2 ZINC000103070854 569832557 /nfs/dbraw/zinc/83/25/57/569832557.db2.gz VOVRVDLIVWZDBU-DJFRZAPWSA-N 0 0 465.984 2.676 40 0 JFABRN CCCCN1C(=O)[C@H]2[C@@H]([C@H](O)c3ccc(Cl)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000103088005 569832773 /nfs/dbraw/zinc/83/27/73/569832773.db2.gz FCCFRZPQNNQUST-JAUHRSLLSA-N 0 0 453.926 2.594 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3OC)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000103602308 569836647 /nfs/dbraw/zinc/83/66/47/569836647.db2.gz WJYRBMONUJVXEH-PZHBDVNGSA-N 0 0 479.558 2.837 40 0 JFABRN Cc1nn2c(nc(COC(=O)c3ccccc3NC(=O)COc3ccccc3)cc2=O)s1 ZINC000041085928 569837107 /nfs/dbraw/zinc/83/71/07/569837107.db2.gz ZAORCZMKRYGPJR-UHFFFAOYSA-N 0 0 450.476 2.834 40 0 JFABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000104058769 569840224 /nfs/dbraw/zinc/84/02/24/569840224.db2.gz HDZBPQNOWHTHBV-HJOGWXRNSA-N 0 0 456.502 2.969 40 0 JFABRN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)[C@]2(C[C@]1(C)O)NNC(=S)N2 ZINC000105106657 569852742 /nfs/dbraw/zinc/85/27/42/569852742.db2.gz JLEORZPEHVPALO-LTSYSURUSA-N 0 0 477.627 2.519 40 0 JFABRN COC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)C1=O ZINC000106758050 569855602 /nfs/dbraw/zinc/85/56/02/569855602.db2.gz MRQRQPSIMRRHQQ-ODLFYWEKSA-N 0 0 486.502 2.931 40 0 JFABRN COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1I ZINC000106770313 569855726 /nfs/dbraw/zinc/85/57/26/569855726.db2.gz PRZIFYCTENXWEQ-ZROIWOOFSA-N 0 0 472.304 2.959 40 0 JFABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)cc1 ZINC000107671216 569856976 /nfs/dbraw/zinc/85/69/76/569856976.db2.gz FSPCLHAECQJDTD-IBGZPJMESA-N 0 0 483.594 2.943 40 0 JFABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)cc1 ZINC000107809903 569857501 /nfs/dbraw/zinc/85/75/01/569857501.db2.gz UOMCBNDSEWHIIP-IBGZPJMESA-N 0 0 469.567 2.635 40 0 JFABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)cc1 ZINC000107882955 569857796 /nfs/dbraw/zinc/85/77/96/569857796.db2.gz VZFVWXKSARCRTR-SFHVURJKSA-N 0 0 489.985 2.980 40 0 JFABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000107969610 569858172 /nfs/dbraw/zinc/85/81/72/569858172.db2.gz GIVHYEFTXVPALZ-OAQYLSRUSA-N 0 0 473.551 2.701 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3OC)C2=O)o1 ZINC000108120433 569858702 /nfs/dbraw/zinc/85/87/02/569858702.db2.gz ZLRDUBTVHVHACD-QPEQYQDCSA-N 0 0 465.256 2.939 40 0 JFABRN COc1ccc(CC(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cccc(OC)c3)n2C)cc1 ZINC000108202176 569859032 /nfs/dbraw/zinc/85/90/32/569859032.db2.gz IRXOXMVHAILBLE-OAHLLOKOSA-N 0 0 469.567 2.983 40 0 JFABRN O=C(COc1ccc(I)cc1)NCc1cccc(CN2CCOCC2)c1 ZINC000108637540 569859612 /nfs/dbraw/zinc/85/96/12/569859612.db2.gz GBIRORRHKLCANS-UHFFFAOYSA-N 0 0 466.319 2.819 40 0 JFABRN Cc1cc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)ccc1Br ZINC000113935564 569862329 /nfs/dbraw/zinc/86/23/29/569862329.db2.gz DZPSWWJAYASOPO-UHFFFAOYSA-N 0 0 466.401 2.872 40 0 JFABRN CCN1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000113937342 569862478 /nfs/dbraw/zinc/86/24/78/569862478.db2.gz RYJKLKNTDYQUHK-UHFFFAOYSA-N 0 0 482.002 2.717 40 0 JFABRN Cc1c(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000113957277 569862581 /nfs/dbraw/zinc/86/25/81/569862581.db2.gz JAZSZXYGSCZQQQ-CQSZACIVSA-N 0 0 464.494 2.556 40 0 JFABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2c(OC)cccc2OC)C1 ZINC000138645199 569866129 /nfs/dbraw/zinc/86/61/29/569866129.db2.gz GFUSKKGFJXZSLR-SFHVURJKSA-N 0 0 497.548 2.504 40 0 JFABRN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1 ZINC000138631943 569866142 /nfs/dbraw/zinc/86/61/42/569866142.db2.gz MCOAYNAYZNZMBE-AWEZNQCLSA-N 0 0 464.305 2.977 40 0 JFABRN COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc3ccccc32)CC1=O ZINC000138816269 569866433 /nfs/dbraw/zinc/86/64/33/569866433.db2.gz DBRXDVRNCOCVQF-KRWDZBQOSA-N 0 0 461.474 2.524 40 0 JFABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(OC)c(OC)c2)C1 ZINC000139105767 569867102 /nfs/dbraw/zinc/86/71/02/569867102.db2.gz MGANYQGONCMIQI-LJQANCHMSA-N 0 0 497.548 2.504 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)Nc1ccccc1 ZINC000139148806 569867292 /nfs/dbraw/zinc/86/72/92/569867292.db2.gz MHHBXQGKHMYYPT-ZDUSSCGKSA-N 0 0 450.278 2.669 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000197481646 569873658 /nfs/dbraw/zinc/87/36/58/569873658.db2.gz DMCQDBRAVPPNGP-VLOXRPPESA-N 0 0 482.533 2.955 40 0 JFABRN O=C(NCCCN1CCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000216309777 569878266 /nfs/dbraw/zinc/87/82/66/569878266.db2.gz UWMHARXNJKHMMD-UHFFFAOYSA-N 0 0 459.587 2.937 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(-n4ccnc4C)cc3)C2)cc1 ZINC000216335741 569878422 /nfs/dbraw/zinc/87/84/22/569878422.db2.gz VTOMQIPGCSQPMK-HXUWFJFHSA-N 0 0 468.579 2.906 40 0 JFABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000216371746 569878544 /nfs/dbraw/zinc/87/85/44/569878544.db2.gz BPGNLQKBSZPJOH-UHFFFAOYSA-N 0 0 482.580 2.598 40 0 JFABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)Oc2ccccc21 ZINC000216430273 569878822 /nfs/dbraw/zinc/87/88/22/569878822.db2.gz NYYGKWCUQBSVOV-NRFANRHFSA-N 0 0 487.559 2.653 40 0 JFABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)Oc2ccccc21 ZINC000216430314 569878855 /nfs/dbraw/zinc/87/88/55/569878855.db2.gz NYYGKWCUQBSVOV-OAQYLSRUSA-N 0 0 487.559 2.653 40 0 JFABRN COC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000216472126 569879028 /nfs/dbraw/zinc/87/90/28/569879028.db2.gz ZQOZDSOVRJHSJJ-UHFFFAOYSA-N 0 0 477.410 2.947 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222370415 569883955 /nfs/dbraw/zinc/88/39/55/569883955.db2.gz OCRLSSNVCLYEME-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222370097 569883969 /nfs/dbraw/zinc/88/39/69/569883969.db2.gz AYFGLEYVQWXAEG-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222370174 569883973 /nfs/dbraw/zinc/88/39/73/569883973.db2.gz AYFGLEYVQWXAEG-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222415537 569884178 /nfs/dbraw/zinc/88/41/78/569884178.db2.gz QZSCPYHZQQQVCX-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222439802 569884316 /nfs/dbraw/zinc/88/43/16/569884316.db2.gz NXIJVYSEMAZFFJ-HSZRJFAPSA-N 0 0 488.654 2.940 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222469152 569884502 /nfs/dbraw/zinc/88/45/02/569884502.db2.gz UMFHHBYDIUENPE-OAHLLOKOSA-N 0 0 469.966 2.717 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222484557 569884720 /nfs/dbraw/zinc/88/47/20/569884720.db2.gz GXXOVKOFLHGJAO-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222486746 569884765 /nfs/dbraw/zinc/88/47/65/569884765.db2.gz OSXJFTPJCPHXGY-HSZRJFAPSA-N 0 0 488.654 2.940 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222497939 569884876 /nfs/dbraw/zinc/88/48/76/569884876.db2.gz UQKHTAJDKHOYRC-OAQYLSRUSA-N 0 0 485.606 2.862 40 0 JFABRN Cc1nc(SCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n[nH]1 ZINC000222543188 569885435 /nfs/dbraw/zinc/88/54/35/569885435.db2.gz FITYJBOTIGADJL-LBPRGKRZSA-N 0 0 478.427 2.729 40 0 JFABRN Cc1nc(SCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n[nH]1 ZINC000222543122 569885472 /nfs/dbraw/zinc/88/54/72/569885472.db2.gz FITYJBOTIGADJL-GFCCVEGCSA-N 0 0 478.427 2.729 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222552497 569885644 /nfs/dbraw/zinc/88/56/44/569885644.db2.gz UAADQEYEMWKPJE-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000222551438 569885659 /nfs/dbraw/zinc/88/56/59/569885659.db2.gz AUCSAMXPOYHTFF-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000222556433 569885782 /nfs/dbraw/zinc/88/57/82/569885782.db2.gz MNDXMQQZSDYMGO-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)CN(Cc3ccccc3Cl)S(C)(=O)=O)n2)c1 ZINC000222566416 569885942 /nfs/dbraw/zinc/88/59/42/569885942.db2.gz LUCQZVAAXHEYCC-UHFFFAOYSA-N 0 0 478.958 2.819 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 ZINC000222568874 569885965 /nfs/dbraw/zinc/88/59/65/569885965.db2.gz YFSBANZGFYTTKU-GOSISDBHSA-N 0 0 490.578 2.849 40 0 JFABRN COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000222570818 569886018 /nfs/dbraw/zinc/88/60/18/569886018.db2.gz VKQCJQXTORFXBY-SFHVURJKSA-N 0 0 462.568 2.772 40 0 JFABRN COc1ccc(CNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c(OC)c1OC ZINC000222582306 569886285 /nfs/dbraw/zinc/88/62/85/569886285.db2.gz WRLSXFNPCCXAAA-UHFFFAOYSA-N 0 0 450.557 2.883 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222592033 569886493 /nfs/dbraw/zinc/88/64/93/569886493.db2.gz VOTPXKJXGIYHSV-NQIIRXRSSA-N 0 0 485.606 2.596 40 0 JFABRN COC(=O)c1cn(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c2ccccc12 ZINC000222603425 569886767 /nfs/dbraw/zinc/88/67/67/569886767.db2.gz LCWXGOGQRZSAJO-UHFFFAOYSA-N 0 0 462.911 2.791 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCc2c(OC)cccc2OC)CC1 ZINC000222619440 569887111 /nfs/dbraw/zinc/88/71/11/569887111.db2.gz NUEZASBQJVYMGG-UHFFFAOYSA-N 0 0 466.531 2.569 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222623547 569887204 /nfs/dbraw/zinc/88/72/04/569887204.db2.gz RTSKOKAEZQWVJH-QFIPXVFZSA-N 0 0 493.601 2.932 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222628207 569887315 /nfs/dbraw/zinc/88/73/15/569887315.db2.gz IQCWNBVAIMQSFK-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000222640157 569887546 /nfs/dbraw/zinc/88/75/46/569887546.db2.gz MYQKULFAASQBKA-UHFFFAOYSA-N 0 0 471.579 2.654 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222641739 569887609 /nfs/dbraw/zinc/88/76/09/569887609.db2.gz UZISZTHVZCEDHR-KRWDZBQOSA-N 0 0 463.575 2.924 40 0 JFABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(N)=O)cc2)cc1)c1ccccc1 ZINC000222645337 569887655 /nfs/dbraw/zinc/88/76/55/569887655.db2.gz UOIJZWYBOGMBFX-QGZVFWFLSA-N 0 0 467.547 2.771 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222644518 569887664 /nfs/dbraw/zinc/88/76/64/569887664.db2.gz VCWHXNSMTJMTAL-HBMCJLEFSA-N 0 0 457.546 2.799 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222648648 569887714 /nfs/dbraw/zinc/88/77/14/569887714.db2.gz DPKMYZQAIUZHLC-HXUWFJFHSA-N 0 0 489.569 2.692 40 0 JFABRN COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc(OC)c1OC ZINC000222647535 569887734 /nfs/dbraw/zinc/88/77/34/569887734.db2.gz DDDCFNNQDIVZRV-UHFFFAOYSA-N 0 0 492.594 2.971 40 0 JFABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000222656111 569887830 /nfs/dbraw/zinc/88/78/30/569887830.db2.gz JNODNRLDZKDPGG-UHFFFAOYSA-N 0 0 489.623 2.693 40 0 JFABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000222658496 569887900 /nfs/dbraw/zinc/88/79/00/569887900.db2.gz BORZNJKLNUKWNP-INIZCTEOSA-N 0 0 480.583 2.827 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222660673 569887913 /nfs/dbraw/zinc/88/79/13/569887913.db2.gz TVMDRTAJHDJGEL-GOSISDBHSA-N 0 0 492.617 2.771 40 0 JFABRN C[C@H](NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222667263 569888046 /nfs/dbraw/zinc/88/80/46/569888046.db2.gz QNCZLYWHDSIBDN-ZDUSSCGKSA-N 0 0 469.357 2.864 40 0 JFABRN C[C@@H](NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222667193 569888057 /nfs/dbraw/zinc/88/80/57/569888057.db2.gz QNCZLYWHDSIBDN-CYBMUJFWSA-N 0 0 469.357 2.864 40 0 JFABRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222668768 569888081 /nfs/dbraw/zinc/88/80/81/569888081.db2.gz MDLJWQCMFKFNBA-ZDUSSCGKSA-N 0 0 454.932 2.763 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c2ccccc2O1 ZINC000222677489 569888245 /nfs/dbraw/zinc/88/82/45/569888245.db2.gz MJTRBJPYRJXUGZ-JOCHJYFZSA-N 0 0 482.514 2.833 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(N)=O)cc3)cc2)cc1 ZINC000222674570 569888264 /nfs/dbraw/zinc/88/82/64/569888264.db2.gz XYOONXVDQLVECU-UHFFFAOYSA-N 0 0 453.520 2.841 40 0 JFABRN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000222690748 569888664 /nfs/dbraw/zinc/88/86/64/569888664.db2.gz JRVBVIKQGBXMMT-CQSZACIVSA-N 0 0 466.943 2.623 40 0 JFABRN Cc1nc(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)n[nH]1 ZINC000222690697 569888696 /nfs/dbraw/zinc/88/86/96/569888696.db2.gz AOVRNQVCPCYLDB-UHFFFAOYSA-N 0 0 461.569 2.510 40 0 JFABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(N)=O)cc3)cc2)c1 ZINC000222691765 569888701 /nfs/dbraw/zinc/88/87/01/569888701.db2.gz AUFGMQAVBGNKJK-UHFFFAOYSA-N 0 0 453.520 2.841 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)C2)cc1 ZINC000222697601 569888874 /nfs/dbraw/zinc/88/88/74/569888874.db2.gz GVHOSGKBJSGYEN-FUHWJXTLSA-N 0 0 460.552 2.745 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222704610 569889075 /nfs/dbraw/zinc/88/90/75/569889075.db2.gz KMINFBKIQQNWLB-FQEVSTJZSA-N 0 0 459.612 2.782 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222704743 569889121 /nfs/dbraw/zinc/88/91/21/569889121.db2.gz GNIHBCMDTIHMMD-FQEVSTJZSA-N 0 0 459.612 2.638 40 0 JFABRN C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222707603 569889187 /nfs/dbraw/zinc/88/91/87/569889187.db2.gz YWKBDVPCPUJFLG-NRFANRHFSA-N 0 0 494.617 2.577 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222719050 569889424 /nfs/dbraw/zinc/88/94/24/569889424.db2.gz UESNSOJPLRPBBL-FQEVSTJZSA-N 0 0 471.623 2.957 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222723423 569889583 /nfs/dbraw/zinc/88/95/83/569889583.db2.gz BDEBHRJHYOHSOE-ZDUSSCGKSA-N 0 0 498.388 2.691 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000222747638 569890141 /nfs/dbraw/zinc/89/01/41/569890141.db2.gz LJTBPERCJVOWIJ-UHFFFAOYSA-N 0 0 473.595 2.900 40 0 JFABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222769682 569890648 /nfs/dbraw/zinc/89/06/48/569890648.db2.gz CAWVDORBKBUCHU-UHFFFAOYSA-N 0 0 489.623 2.754 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222781310 569890876 /nfs/dbraw/zinc/89/08/76/569890876.db2.gz PYQZTZDYMGXYNF-KRWDZBQOSA-N 0 0 466.003 2.655 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222797050 569891292 /nfs/dbraw/zinc/89/12/92/569891292.db2.gz XLMUDBUVMOOCIM-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000222798194 569891322 /nfs/dbraw/zinc/89/13/22/569891322.db2.gz UWJIUHXNFVQACC-SFHVURJKSA-N 0 0 483.590 2.778 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000222817361 569891838 /nfs/dbraw/zinc/89/18/38/569891838.db2.gz MUQCWDKQEBIQHN-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCCSc1nnc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 ZINC000222817885 569891849 /nfs/dbraw/zinc/89/18/49/569891849.db2.gz SLQJFTLPLJFQLC-LLVKDONJSA-N 0 0 458.587 2.605 40 0 JFABRN C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl ZINC000222830468 569892108 /nfs/dbraw/zinc/89/21/08/569892108.db2.gz ZPPGTNHRFQYDPL-HNNXBMFYSA-N 0 0 450.944 2.718 40 0 JFABRN C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000222853393 569892755 /nfs/dbraw/zinc/89/27/55/569892755.db2.gz ODAGXGDLFVYAPL-IBGZPJMESA-N 0 0 459.974 2.585 40 0 JFABRN COC(=O)c1c(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)sc2c1CCCC2 ZINC000222858093 569892849 /nfs/dbraw/zinc/89/28/49/569892849.db2.gz CKXOQPOBXLZDSF-UHFFFAOYSA-N 0 0 452.554 2.827 40 0 JFABRN CCOc1cc(CNC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)ccc1OC ZINC000222864546 569893022 /nfs/dbraw/zinc/89/30/22/569893022.db2.gz IQTJICCOOCBYFX-UHFFFAOYSA-N 0 0 450.557 2.965 40 0 JFABRN CCc1ccc(N(CCCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222867374 569893086 /nfs/dbraw/zinc/89/30/86/569893086.db2.gz OCKVLIYDTMGTAC-IBGZPJMESA-N 0 0 489.638 2.967 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c2ccccc2O1 ZINC000222868758 569893128 /nfs/dbraw/zinc/89/31/28/569893128.db2.gz KONVDBLDRGJJDL-FQEVSTJZSA-N 0 0 460.552 2.663 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222891538 569893710 /nfs/dbraw/zinc/89/37/10/569893710.db2.gz YGUDTRMNNSXPHZ-KRWDZBQOSA-N 0 0 466.003 2.620 40 0 JFABRN COc1cc(CN(C)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc(OC)c1OC ZINC000222896650 569893823 /nfs/dbraw/zinc/89/38/23/569893823.db2.gz ITFTZGINFYEWGI-UHFFFAOYSA-N 0 0 462.568 2.744 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000222899111 569893912 /nfs/dbraw/zinc/89/39/12/569893912.db2.gz GDHRIOSXCFFJGH-HNNXBMFYSA-N 0 0 486.421 2.965 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000222902796 569893919 /nfs/dbraw/zinc/89/39/19/569893919.db2.gz IJVLVGQKSJZKFG-IBGZPJMESA-N 0 0 473.639 2.956 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222902210 569893942 /nfs/dbraw/zinc/89/39/42/569893942.db2.gz SQTXPXOGASDQGN-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000222901979 569893947 /nfs/dbraw/zinc/89/39/47/569893947.db2.gz AZOBALBMKXFUEV-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222916347 569894330 /nfs/dbraw/zinc/89/43/30/569894330.db2.gz HSIQZKAFKCYRQG-QHCPKHFHSA-N 0 0 489.638 2.836 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222926193 569894574 /nfs/dbraw/zinc/89/45/74/569894574.db2.gz GPXDFNOKNGGERE-INIZCTEOSA-N 0 0 499.008 2.645 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000222935757 569894868 /nfs/dbraw/zinc/89/48/68/569894868.db2.gz DPJGVVCMMMXPFC-IBGZPJMESA-N 0 0 496.427 2.769 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222935754 569894894 /nfs/dbraw/zinc/89/48/94/569894894.db2.gz HUBZXFQPSLIVAX-BHIFYINESA-N 0 0 453.583 2.702 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222952160 569895315 /nfs/dbraw/zinc/89/53/15/569895315.db2.gz YPQGROGKWJKCHY-SFHVURJKSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222955181 569895388 /nfs/dbraw/zinc/89/53/88/569895388.db2.gz VZADQIKIYOIFFE-HNNXBMFYSA-N 0 0 499.992 2.807 40 0 JFABRN COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000222960720 569895502 /nfs/dbraw/zinc/89/55/02/569895502.db2.gz ZYWMHDADOVCULQ-AVRDEDQJSA-N 0 0 470.566 2.967 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222975104 569895885 /nfs/dbraw/zinc/89/58/85/569895885.db2.gz UMBHVMZTQQFVDW-GOSISDBHSA-N 0 0 489.594 2.515 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222979062 569896007 /nfs/dbraw/zinc/89/60/07/569896007.db2.gz OFIZGSPYUIWCQA-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222981896 569896019 /nfs/dbraw/zinc/89/60/19/569896019.db2.gz QZPXYXXJCIMUMY-LJQANCHMSA-N 0 0 466.003 2.968 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)NC)S(C)(=O)=O ZINC000222981610 569896029 /nfs/dbraw/zinc/89/60/29/569896029.db2.gz BHWYKKQZBPJFHY-NRFANRHFSA-N 0 0 459.612 2.877 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000222984308 569896171 /nfs/dbraw/zinc/89/61/71/569896171.db2.gz WFFGPMHNWHNRMS-HXUWFJFHSA-N 0 0 475.611 2.631 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222986654 569896256 /nfs/dbraw/zinc/89/62/56/569896256.db2.gz BVYROEAKNNIOTC-LJQANCHMSA-N 0 0 485.606 2.945 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222989430 569896357 /nfs/dbraw/zinc/89/63/57/569896357.db2.gz ZCKXUEVFWYOHPR-QFIPXVFZSA-N 0 0 459.612 2.877 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222998560 569896514 /nfs/dbraw/zinc/89/65/14/569896514.db2.gz KOAITILNBQCOGF-JOCHJYFZSA-N 0 0 488.654 2.778 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NC(C)(C)Cc1ccccc1 ZINC000222999269 569896564 /nfs/dbraw/zinc/89/65/64/569896564.db2.gz LXPHTURJOUJDEM-UHFFFAOYSA-N 0 0 460.596 2.786 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223022281 569897027 /nfs/dbraw/zinc/89/70/27/569897027.db2.gz OZDXIFBJFZMJFD-ZYSHUDEJSA-N 0 0 490.398 2.644 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223029522 569897234 /nfs/dbraw/zinc/89/72/34/569897234.db2.gz XIUROBGBRKHHGQ-FQEVSTJZSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223031485 569897339 /nfs/dbraw/zinc/89/73/39/569897339.db2.gz LBFXJEPBVWWDLF-LJQANCHMSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223031630 569897368 /nfs/dbraw/zinc/89/73/68/569897368.db2.gz BFOQWZJTBXSWEE-HXUWFJFHSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223033219 569897401 /nfs/dbraw/zinc/89/74/01/569897401.db2.gz HEIFPZIGYQPZHW-OAQYLSRUSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223048678 569897745 /nfs/dbraw/zinc/89/77/45/569897745.db2.gz SDKPHSRTFZCGLP-INIZCTEOSA-N 0 0 496.427 2.769 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223052673 569897836 /nfs/dbraw/zinc/89/78/36/569897836.db2.gz LYTQADDSUWOVIN-HXUWFJFHSA-N 0 0 466.003 2.822 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000223065946 569898358 /nfs/dbraw/zinc/89/83/58/569898358.db2.gz CNZVTXKVEKOXIJ-INIZCTEOSA-N 0 0 483.612 2.519 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223075357 569898660 /nfs/dbraw/zinc/89/86/60/569898660.db2.gz XZLNRIXBWUYGTJ-QFIPXVFZSA-N 0 0 459.612 2.931 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)NC)S(C)(=O)=O ZINC000223075494 569898687 /nfs/dbraw/zinc/89/86/87/569898687.db2.gz HLGFGEBRPAQJHB-NRFANRHFSA-N 0 0 459.612 2.877 40 0 JFABRN Cc1ccccc1N(CCCC(=O)NCc1ccc(CN2CCCC2=O)cc1)S(C)(=O)=O ZINC000223081169 569898867 /nfs/dbraw/zinc/89/88/67/569898867.db2.gz VJWUDHXQRTVPFK-UHFFFAOYSA-N 0 0 457.596 2.980 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223101606 569899499 /nfs/dbraw/zinc/89/94/99/569899499.db2.gz VGXQEEBKRICHHK-QZTJIDSGSA-N 0 0 463.575 2.924 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223108478 569899636 /nfs/dbraw/zinc/89/96/36/569899636.db2.gz BILPJSYVBKTGQO-GOSISDBHSA-N 0 0 477.602 2.966 40 0 JFABRN COc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000223113062 569899755 /nfs/dbraw/zinc/89/97/55/569899755.db2.gz CENRUTXKEAJRLH-IBGZPJMESA-N 0 0 489.638 2.836 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223120556 569900083 /nfs/dbraw/zinc/90/00/83/569900083.db2.gz CFOGZWBTTIWRIT-FQEVSTJZSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223126019 569900253 /nfs/dbraw/zinc/90/02/53/569900253.db2.gz GHDRYGPDJUSJKX-KVPLUYHFSA-N 0 0 457.546 2.799 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223132155 569900497 /nfs/dbraw/zinc/90/04/97/569900497.db2.gz LXICMKVRHKFQEL-ILWGZMRPSA-N 0 0 453.583 2.970 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223133962 569900560 /nfs/dbraw/zinc/90/05/60/569900560.db2.gz VXLDVTJYCKPGIF-LJQANCHMSA-N 0 0 487.956 2.938 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223133537 569900596 /nfs/dbraw/zinc/90/05/96/569900596.db2.gz HLXWCAWKZCQNTM-HXUWFJFHSA-N 0 0 481.018 2.506 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccccc1Cl ZINC000223143362 569900974 /nfs/dbraw/zinc/90/09/74/569900974.db2.gz FDQQVWUMEJYOJD-UHFFFAOYSA-N 0 0 452.960 2.619 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223142918 569900977 /nfs/dbraw/zinc/90/09/77/569900977.db2.gz SKQCFZDUIKMXCG-IBGZPJMESA-N 0 0 491.997 2.818 40 0 JFABRN CCSc1nnc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)s1 ZINC000223148170 569901160 /nfs/dbraw/zinc/90/11/60/569901160.db2.gz SRAHIORHBAYOSS-UHFFFAOYSA-N 0 0 451.393 2.817 40 0 JFABRN CC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)s1 ZINC000223155192 569901372 /nfs/dbraw/zinc/90/13/72/569901372.db2.gz LRGHNNQADATDSW-UHFFFAOYSA-N 0 0 450.546 2.665 40 0 JFABRN COc1ccc2cc(S(=O)(=O)Nc3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)ccc2c1 ZINC000223163545 569901635 /nfs/dbraw/zinc/90/16/35/569901635.db2.gz YMIYRKDQOODTFO-UHFFFAOYSA-N 0 0 489.619 2.894 40 0 JFABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 ZINC000223165835 569901694 /nfs/dbraw/zinc/90/16/94/569901694.db2.gz UYIBWZMJSBJVQO-BJKOFHAPSA-N 0 0 491.617 2.964 40 0 JFABRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 ZINC000223165384 569901703 /nfs/dbraw/zinc/90/17/03/569901703.db2.gz ITUGTMKNLXJXJG-ZEQRLZLVSA-N 0 0 491.617 2.964 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223165350 569901713 /nfs/dbraw/zinc/90/17/13/569901713.db2.gz SGQLWEKFSNJGNX-HXUWFJFHSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223171926 569901934 /nfs/dbraw/zinc/90/19/34/569901934.db2.gz RHZYVJICFJZCOS-FQEVSTJZSA-N 0 0 485.606 2.943 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223175777 569902141 /nfs/dbraw/zinc/90/21/41/569902141.db2.gz ICDXVLQRFCVZBZ-NRFANRHFSA-N 0 0 494.013 2.862 40 0 JFABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1CCCN1CCOCC1 ZINC000223178076 569902230 /nfs/dbraw/zinc/90/22/30/569902230.db2.gz WWNPZXYZNBTLPS-PMOQBDJRSA-N 0 0 455.628 2.757 40 0 JFABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223184847 569902610 /nfs/dbraw/zinc/90/26/10/569902610.db2.gz VYYIRXPLCCZKBK-JOCHJYFZSA-N 0 0 477.602 2.573 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223210576 569903588 /nfs/dbraw/zinc/90/35/88/569903588.db2.gz PEJKJYUINYULOR-LJQANCHMSA-N 0 0 469.966 2.799 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223214122 569903773 /nfs/dbraw/zinc/90/37/73/569903773.db2.gz BRUSXARGOAYUNM-FQEVSTJZSA-N 0 0 463.575 2.762 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223233284 569904335 /nfs/dbraw/zinc/90/43/35/569904335.db2.gz DDFYFQBTXNZGPT-OAQYLSRUSA-N 0 0 463.575 2.780 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223234669 569904394 /nfs/dbraw/zinc/90/43/94/569904394.db2.gz OSBIEOZZUZOYJT-QFIPXVFZSA-N 0 0 493.601 2.934 40 0 JFABRN CN(c1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1)S(C)(=O)=O ZINC000223239687 569904565 /nfs/dbraw/zinc/90/45/65/569904565.db2.gz FRONOEYERITJEL-UHFFFAOYSA-N 0 0 457.508 2.623 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000223239154 569904573 /nfs/dbraw/zinc/90/45/73/569904573.db2.gz DTXRBCBHDAPAHS-UHFFFAOYSA-N 0 0 464.931 2.678 40 0 JFABRN COc1cccc(N(CCCC(=O)NCc2nc(-c3ccccc3C)no2)S(C)(=O)=O)c1 ZINC000223241995 569904644 /nfs/dbraw/zinc/90/46/44/569904644.db2.gz CJMXALKYXVJNPC-UHFFFAOYSA-N 0 0 458.540 2.916 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223253545 569904983 /nfs/dbraw/zinc/90/49/83/569904983.db2.gz JAGTXWZXQVLGCS-UHFFFAOYSA-N 0 0 483.537 2.916 40 0 JFABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000223270279 569905558 /nfs/dbraw/zinc/90/55/58/569905558.db2.gz WTIPGZOGOYWTPB-VWLOTQADSA-N 0 0 467.610 2.884 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223276821 569905911 /nfs/dbraw/zinc/90/59/11/569905911.db2.gz XWVRELYVZBLQLL-KRWDZBQOSA-N 0 0 489.569 2.694 40 0 JFABRN CCOc1cc(CNC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)ccc1OC ZINC000223281641 569906009 /nfs/dbraw/zinc/90/60/09/569906009.db2.gz GTVMZDDFNWYNIZ-UHFFFAOYSA-N 0 0 450.557 2.602 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000223290420 569906380 /nfs/dbraw/zinc/90/63/80/569906380.db2.gz AWIASQPEZYHJLI-UHFFFAOYSA-N 0 0 462.612 2.734 40 0 JFABRN CC(C)CSc1nnc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)s1 ZINC000223290499 569906396 /nfs/dbraw/zinc/90/63/96/569906396.db2.gz FYWGTKFHFSIYPP-UHFFFAOYSA-N 0 0 469.658 2.616 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223351997 569908334 /nfs/dbraw/zinc/90/83/34/569908334.db2.gz AOEJJSZRGLKZKU-QGZVFWFLSA-N 0 0 498.388 2.691 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223430455 569911110 /nfs/dbraw/zinc/91/11/10/569911110.db2.gz JVFAOOYIHDENLH-OAQYLSRUSA-N 0 0 475.611 2.631 40 0 JFABRN CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1)S(C)(=O)=O ZINC000223469361 569912331 /nfs/dbraw/zinc/91/23/31/569912331.db2.gz BRNDLUUIJXARNY-HSZRJFAPSA-N 0 0 487.553 2.696 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223474271 569912508 /nfs/dbraw/zinc/91/25/08/569912508.db2.gz LNNYJCKPIJEVFY-FQEVSTJZSA-N 0 0 466.003 2.702 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223497735 569913594 /nfs/dbraw/zinc/91/35/94/569913594.db2.gz CBIMGYIEXAPGOE-NRFANRHFSA-N 0 0 489.638 2.837 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223504661 569913864 /nfs/dbraw/zinc/91/38/64/569913864.db2.gz BLIBVVPATKVHSI-HXUWFJFHSA-N 0 0 489.638 2.958 40 0 JFABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223528603 569914636 /nfs/dbraw/zinc/91/46/36/569914636.db2.gz JDPZOORFOBGZAE-FQEVSTJZSA-N 0 0 459.612 2.829 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000223537680 569915116 /nfs/dbraw/zinc/91/51/16/569915116.db2.gz ZDEDOBIDWXRUDD-UHFFFAOYSA-N 0 0 497.639 2.911 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000223543162 569915405 /nfs/dbraw/zinc/91/54/05/569915405.db2.gz PICAJQHWNWOWKJ-GOSISDBHSA-N 0 0 463.575 2.925 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223574526 569916543 /nfs/dbraw/zinc/91/65/43/569916543.db2.gz GYYRGPXYMBDJKT-GOSISDBHSA-N 0 0 473.595 2.517 40 0 JFABRN CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)ccc1OC ZINC000223598875 569917404 /nfs/dbraw/zinc/91/74/04/569917404.db2.gz JNRXCICNUJTQAR-UHFFFAOYSA-N 0 0 464.931 2.969 40 0 JFABRN Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1I ZINC000223605493 569917609 /nfs/dbraw/zinc/91/76/09/569917609.db2.gz GGDCNFKVFMYBNY-HOTGVXAUSA-N 0 0 456.353 2.986 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223607642 569917732 /nfs/dbraw/zinc/91/77/32/569917732.db2.gz BEUZBRSRVLJXMQ-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223609065 569917798 /nfs/dbraw/zinc/91/77/98/569917798.db2.gz GFEOSKYWDUBHMZ-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223634570 569918596 /nfs/dbraw/zinc/91/85/96/569918596.db2.gz WLIPPFDWJRFBOZ-OAQYLSRUSA-N 0 0 485.606 2.863 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 ZINC000223637894 569918655 /nfs/dbraw/zinc/91/86/55/569918655.db2.gz JWNYKZJRCZBGNG-OAHLLOKOSA-N 0 0 474.539 2.615 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223652415 569919024 /nfs/dbraw/zinc/91/90/24/569919024.db2.gz RKASSBMOWNOOJN-LJQANCHMSA-N 0 0 459.612 2.877 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223665689 569919429 /nfs/dbraw/zinc/91/94/29/569919429.db2.gz PSIRNNLRTGAKBT-INIZCTEOSA-N 0 0 467.538 2.593 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223696981 569920265 /nfs/dbraw/zinc/92/02/65/569920265.db2.gz OGHDJGOVDCKGDA-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223700311 569920436 /nfs/dbraw/zinc/92/04/36/569920436.db2.gz KQLGGAVYGIJSSZ-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223710283 569920787 /nfs/dbraw/zinc/92/07/87/569920787.db2.gz VGYASAMVKZTJQV-CQSZACIVSA-N 0 0 487.956 2.938 40 0 JFABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000223721290 569921084 /nfs/dbraw/zinc/92/10/84/569921084.db2.gz MPCUYHRQNADEFQ-UHFFFAOYSA-N 0 0 460.596 2.955 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccccc2C(C)(C)C)cc1OC ZINC000223739168 569921696 /nfs/dbraw/zinc/92/16/96/569921696.db2.gz CVLXFPJSEZXJJQ-UHFFFAOYSA-N 0 0 464.584 2.817 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccccc1C(C)C ZINC000223774601 569922860 /nfs/dbraw/zinc/92/28/60/569922860.db2.gz HZAWMRXSSLRHPB-UHFFFAOYSA-N 0 0 462.568 2.648 40 0 JFABRN C[C@@H]1CCC[N@H+](CCC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)C1 ZINC000223781348 569923061 /nfs/dbraw/zinc/92/30/61/569923061.db2.gz XGQXMNUPZZGALN-CYBMUJFWSA-N 0 0 458.009 2.844 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223785639 569923231 /nfs/dbraw/zinc/92/32/31/569923231.db2.gz DHSXTDZAUIRVNH-SFHVURJKSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223786935 569923273 /nfs/dbraw/zinc/92/32/73/569923273.db2.gz CSSBRHQHOQWFKC-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223785723 569923300 /nfs/dbraw/zinc/92/33/00/569923300.db2.gz GRFATWORTYLDCZ-QGZVFWFLSA-N 0 0 463.575 2.708 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223787067 569923306 /nfs/dbraw/zinc/92/33/06/569923306.db2.gz VJLMBCCPNCAXBF-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)CCCN(c3ccc(OC)cc3)S(C)(=O)=O)n2)cc1 ZINC000223798107 569923724 /nfs/dbraw/zinc/92/37/24/569923724.db2.gz NJWGLKHWPJGZJP-UHFFFAOYSA-N 0 0 488.566 2.959 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223828247 569924547 /nfs/dbraw/zinc/92/45/47/569924547.db2.gz LBWFODZXSRVMBE-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(=O)N1CCCCC1 ZINC000223850278 569925097 /nfs/dbraw/zinc/92/50/97/569925097.db2.gz QKWXSFKBMBCTFZ-INIZCTEOSA-N 0 0 480.608 2.764 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223877170 569925905 /nfs/dbraw/zinc/92/59/05/569925905.db2.gz STSLFYKJRVWGQL-SFHVURJKSA-N 0 0 463.575 2.698 40 0 JFABRN C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223876887 569925912 /nfs/dbraw/zinc/92/59/12/569925912.db2.gz QPGNNOSULNSFHX-KRWDZBQOSA-N 0 0 464.609 2.897 40 0 JFABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223893027 569926441 /nfs/dbraw/zinc/92/64/41/569926441.db2.gz RYYGVRKPSWNIGZ-YHYVQYDKSA-N 0 0 469.557 2.943 40 0 JFABRN CCCn1c2ccc(S(=O)(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2sc1=O ZINC000223896078 569926582 /nfs/dbraw/zinc/92/65/82/569926582.db2.gz ZFYUNSFGYCUOHU-CYBMUJFWSA-N 0 0 454.595 2.916 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)c1 ZINC000223910328 569926971 /nfs/dbraw/zinc/92/69/71/569926971.db2.gz RHHADCBKTKAFJI-UHFFFAOYSA-N 0 0 460.603 2.708 40 0 JFABRN CC(C)C(=O)Nc1nnc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000223961146 569928515 /nfs/dbraw/zinc/92/85/15/569928515.db2.gz UJWXORASFFOBGG-UHFFFAOYSA-N 0 0 463.507 2.662 40 0 JFABRN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCCOCc1ccccc1 ZINC000223987667 569929581 /nfs/dbraw/zinc/92/95/81/569929581.db2.gz HVDLZZFDBJVTCL-UHFFFAOYSA-N 0 0 482.558 2.986 40 0 JFABRN COc1ccccc1OCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000223987578 569929598 /nfs/dbraw/zinc/92/95/98/569929598.db2.gz BBLPXXJDHIDDNL-UHFFFAOYSA-N 0 0 498.557 2.857 40 0 JFABRN COc1ccccc1OCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000223995600 569929814 /nfs/dbraw/zinc/92/98/14/569929814.db2.gz OYWATKVOXYKBSO-HSZRJFAPSA-N 0 0 468.531 2.847 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000224002146 569930021 /nfs/dbraw/zinc/93/00/21/569930021.db2.gz JUESJTJKLRURLE-IBGZPJMESA-N 0 0 475.611 2.649 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224021462 569930798 /nfs/dbraw/zinc/93/07/98/569930798.db2.gz UIHRCLQIKCBFGN-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224022248 569930831 /nfs/dbraw/zinc/93/08/31/569930831.db2.gz XWLYUJJMZZPFTL-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000224024671 569930950 /nfs/dbraw/zinc/93/09/50/569930950.db2.gz FLALEKOUCKSHBF-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224043457 569931598 /nfs/dbraw/zinc/93/15/98/569931598.db2.gz NQWJAZFRJHYSRB-INIZCTEOSA-N 0 0 482.002 2.523 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)s1 ZINC000224061620 569931998 /nfs/dbraw/zinc/93/19/98/569931998.db2.gz CIQVPDRMNDQVPL-UHFFFAOYSA-N 0 0 492.604 2.946 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000224066676 569932189 /nfs/dbraw/zinc/93/21/89/569932189.db2.gz TWUFXTUTQPXHFV-QGZVFWFLSA-N 0 0 496.029 2.711 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000224066722 569932209 /nfs/dbraw/zinc/93/22/09/569932209.db2.gz TWUFXTUTQPXHFV-KRWDZBQOSA-N 0 0 496.029 2.711 40 0 JFABRN COc1ccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224068554 569932296 /nfs/dbraw/zinc/93/22/96/569932296.db2.gz PLXHTLUCWPQSRU-YSZBQJHXSA-N 0 0 481.593 2.812 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000224067717 569932297 /nfs/dbraw/zinc/93/22/97/569932297.db2.gz YPTIIXYWWLBTDF-FQEVSTJZSA-N 0 0 459.612 2.665 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000224070117 569932370 /nfs/dbraw/zinc/93/23/70/569932370.db2.gz PEZFJXOFFJNICL-IBGZPJMESA-N 0 0 450.557 2.916 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000224074085 569932449 /nfs/dbraw/zinc/93/24/49/569932449.db2.gz BBXFZEZZDJSYSW-MRXNPFEDSA-N 0 0 483.993 2.841 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000224074139 569932489 /nfs/dbraw/zinc/93/24/89/569932489.db2.gz BBXFZEZZDJSYSW-INIZCTEOSA-N 0 0 483.993 2.841 40 0 JFABRN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccc(N4CC[NH+](C)CC4)cc3)s2)cc1 ZINC000224079201 569932625 /nfs/dbraw/zinc/93/26/25/569932625.db2.gz WKSYUKATFYCWAP-UHFFFAOYSA-N 0 0 472.596 2.651 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224087130 569932893 /nfs/dbraw/zinc/93/28/93/569932893.db2.gz PUHVUOVTYYUOME-FQEVSTJZSA-N 0 0 471.623 2.971 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224103153 569933249 /nfs/dbraw/zinc/93/32/49/569933249.db2.gz HZVIPYIQQHHGSK-LJQANCHMSA-N 0 0 492.617 2.628 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224103426 569933277 /nfs/dbraw/zinc/93/32/77/569933277.db2.gz QRESWCGJCBQLRU-AJSBUHFISA-N 0 0 465.594 2.846 40 0 JFABRN Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1Cl ZINC000224147888 569934491 /nfs/dbraw/zinc/93/44/91/569934491.db2.gz SOEFJRALFPIDNB-UHFFFAOYSA-N 0 0 452.960 2.787 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000224154046 569934700 /nfs/dbraw/zinc/93/47/00/569934700.db2.gz YIBOLGILSKROSU-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1Cl ZINC000224173227 569935319 /nfs/dbraw/zinc/93/53/19/569935319.db2.gz NXRXRXHRBKTNOR-UHFFFAOYSA-N 0 0 466.003 2.702 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224203479 569936360 /nfs/dbraw/zinc/93/63/60/569936360.db2.gz RUWXRMOWFXHAOL-FQEVSTJZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224241632 569937747 /nfs/dbraw/zinc/93/77/47/569937747.db2.gz FWHSZBJCQCFGAK-FQEVSTJZSA-N 0 0 463.575 2.844 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1nc(-c2cccs2)no1)c1ccc(F)c(F)c1 ZINC000224267227 569938594 /nfs/dbraw/zinc/93/85/94/569938594.db2.gz ZACHOTRRGOLFKL-UHFFFAOYSA-N 0 0 456.496 2.939 40 0 JFABRN COc1ccc(OCCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000224309364 569939975 /nfs/dbraw/zinc/93/99/75/569939975.db2.gz NBBZLUZHYUDUTO-UHFFFAOYSA-N 0 0 462.568 2.834 40 0 JFABRN O=C(COc1ccc(Br)cc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224313343 569940158 /nfs/dbraw/zinc/94/01/58/569940158.db2.gz HFKDDIQFPHKGRO-UHFFFAOYSA-N 0 0 483.384 2.808 40 0 JFABRN CC[C@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224321220 569940461 /nfs/dbraw/zinc/94/04/61/569940461.db2.gz DLZIWBSFVGTHTL-GFCCVEGCSA-N 0 0 479.005 2.640 40 0 JFABRN CSc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2C)cc1C(=O)N1CCOCC1 ZINC000224323980 569940641 /nfs/dbraw/zinc/94/06/41/569940641.db2.gz XYCQPQOEHFXZNQ-UHFFFAOYSA-N 0 0 464.609 2.855 40 0 JFABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224327674 569940787 /nfs/dbraw/zinc/94/07/87/569940787.db2.gz SHJUSYNKYMLXJS-HXUWFJFHSA-N 0 0 462.568 2.832 40 0 JFABRN CC[C@H](Oc1ccccc1F)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224327866 569940808 /nfs/dbraw/zinc/94/08/08/569940808.db2.gz AQNAEEYQFGHOMQ-FQEVSTJZSA-N 0 0 450.532 2.963 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1nnc(SCC(C)C)s1 ZINC000224334661 569940998 /nfs/dbraw/zinc/94/09/98/569940998.db2.gz NWEDXJZTDBSUTC-UHFFFAOYSA-N 0 0 469.658 2.783 40 0 JFABRN COc1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000224353763 569941666 /nfs/dbraw/zinc/94/16/66/569941666.db2.gz BGBIGIVNGGMHMD-UHFFFAOYSA-N 0 0 450.532 2.571 40 0 JFABRN O=C(/C=C/c1ccc2c(c1)OCO2)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224354084 569941710 /nfs/dbraw/zinc/94/17/10/569941710.db2.gz NXEMWAGPTDWSRY-VZUCSPMQSA-N 0 0 458.536 2.798 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224368916 569942326 /nfs/dbraw/zinc/94/23/26/569942326.db2.gz DAIVWPWQWFDBLI-HXUWFJFHSA-N 0 0 493.601 2.852 40 0 JFABRN COc1cc(C)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000224422797 569944101 /nfs/dbraw/zinc/94/41/01/569944101.db2.gz VPWJGCVZYZNCMW-UHFFFAOYSA-N 0 0 482.624 2.844 40 0 JFABRN Cc1ccc(S[C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000224433407 569944429 /nfs/dbraw/zinc/94/44/29/569944429.db2.gz XQWIPDPVTVCQBG-GOSISDBHSA-N 0 0 464.609 2.692 40 0 JFABRN COc1cccc(-c2noc(CNC(=O)CCCN(c3ccccc3OC)S(C)(=O)=O)n2)c1 ZINC000224452112 569944931 /nfs/dbraw/zinc/94/49/31/569944931.db2.gz AZEPIHLZPUGUNQ-UHFFFAOYSA-N 0 0 474.539 2.616 40 0 JFABRN C[C@@H](Oc1cccc2ccccc21)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224468690 569945432 /nfs/dbraw/zinc/94/54/32/569945432.db2.gz YKRNRHUFTULCCW-LJQANCHMSA-N 0 0 484.574 2.823 40 0 JFABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224475419 569945556 /nfs/dbraw/zinc/94/55/56/569945556.db2.gz XIKYWFNRJFNLDZ-NRFANRHFSA-N 0 0 482.986 2.714 40 0 JFABRN COc1cc(C)c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(C)C ZINC000224501129 569946421 /nfs/dbraw/zinc/94/64/21/569946421.db2.gz SPAUNOMWFJPTOV-UHFFFAOYSA-N 0 0 476.595 2.957 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224499740 569946422 /nfs/dbraw/zinc/94/64/22/569946422.db2.gz LRXMWYWBPFVIPM-LJQANCHMSA-N 0 0 477.602 2.824 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224509597 569946703 /nfs/dbraw/zinc/94/67/03/569946703.db2.gz KRGWFRFDFNHTKF-HXUWFJFHSA-N 0 0 499.633 2.843 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224528334 569947281 /nfs/dbraw/zinc/94/72/81/569947281.db2.gz XHUKYOCMRYODBJ-QFIPXVFZSA-N 0 0 475.611 2.713 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224535631 569947608 /nfs/dbraw/zinc/94/76/08/569947608.db2.gz YGOQFLCYUJZROP-QHCPKHFHSA-N 0 0 489.638 2.967 40 0 JFABRN COc1ccc(N(CCCC(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)cc1 ZINC000224538504 569947630 /nfs/dbraw/zinc/94/76/30/569947630.db2.gz HFBNTACMZYMNBT-UHFFFAOYSA-N 0 0 461.584 2.599 40 0 JFABRN CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccc(S(C)(=O)=O)cc1 ZINC000224537733 569947665 /nfs/dbraw/zinc/94/76/65/569947665.db2.gz ZZMYRYBQPXHJRB-FQEVSTJZSA-N 0 0 482.624 2.549 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224540305 569947737 /nfs/dbraw/zinc/94/77/37/569947737.db2.gz LDRTWTIDUYYAIA-OAQYLSRUSA-N 0 0 497.564 2.683 40 0 JFABRN Cc1ccc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000224549654 569948083 /nfs/dbraw/zinc/94/80/83/569948083.db2.gz LFCRVLMTJJRQOG-UHFFFAOYSA-N 0 0 466.003 2.563 40 0 JFABRN CC[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224568284 569948875 /nfs/dbraw/zinc/94/88/75/569948875.db2.gz GODZOSBSGMBVDJ-XMMPIXPASA-N 0 0 473.639 2.997 40 0 JFABRN CC(C)c1ccccc1N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O ZINC000224568935 569948902 /nfs/dbraw/zinc/94/89/02/569948902.db2.gz WPCHIOKYDABRIT-UHFFFAOYSA-N 0 0 459.612 2.725 40 0 JFABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)c1 ZINC000224569943 569948972 /nfs/dbraw/zinc/94/89/72/569948972.db2.gz JVOWSACRVLRTTI-UHFFFAOYSA-N 0 0 485.650 2.685 40 0 JFABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC000224570006 569948975 /nfs/dbraw/zinc/94/89/75/569948975.db2.gz VXUXOVUCVBBEPE-UHFFFAOYSA-N 0 0 485.650 2.685 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224574213 569949072 /nfs/dbraw/zinc/94/90/72/569949072.db2.gz UGHXMXJRYAMQQW-HSZRJFAPSA-N 0 0 489.638 2.967 40 0 JFABRN CC[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000224579555 569949338 /nfs/dbraw/zinc/94/93/38/569949338.db2.gz BACRXCHXVMWAEB-NRFANRHFSA-N 0 0 463.575 2.519 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O ZINC000224581732 569949460 /nfs/dbraw/zinc/94/94/60/569949460.db2.gz QITAHZIUIBMZFA-UHFFFAOYSA-N 0 0 489.638 2.780 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000224607947 569950488 /nfs/dbraw/zinc/95/04/88/569950488.db2.gz OGHIAEVZNLYXEA-QHCPKHFHSA-N 0 0 489.638 2.837 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224609005 569950572 /nfs/dbraw/zinc/95/05/72/569950572.db2.gz IKQUHSYAHUSCSA-NRFANRHFSA-N 0 0 489.638 2.756 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)s1 ZINC000224611984 569950664 /nfs/dbraw/zinc/95/06/64/569950664.db2.gz ARDQYYVWLNQQDE-UHFFFAOYSA-N 0 0 485.396 2.515 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224623077 569951229 /nfs/dbraw/zinc/95/12/29/569951229.db2.gz KUPQIAATINIZTG-JOCHJYFZSA-N 0 0 459.612 2.602 40 0 JFABRN CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224623205 569951237 /nfs/dbraw/zinc/95/12/37/569951237.db2.gz ICRKJVXSPRUVAT-QFIPXVFZSA-N 0 0 497.617 2.740 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224660770 569952607 /nfs/dbraw/zinc/95/26/07/569952607.db2.gz ACYRHLOJHDCZRY-SFHVURJKSA-N 0 0 471.579 2.555 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000224666747 569952894 /nfs/dbraw/zinc/95/28/94/569952894.db2.gz BUBLCHZCKWGPDH-SFHVURJKSA-N 0 0 463.575 2.697 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)NCCOc1cccc(OC)c1)S(C)(=O)=O ZINC000224699037 569953993 /nfs/dbraw/zinc/95/39/93/569953993.db2.gz KYMDISRAVORGDS-UHFFFAOYSA-N 0 0 450.557 2.835 40 0 JFABRN CCOc1ccc(N(CCCC(=O)NCCOc2ccccc2OC)S(C)(=O)=O)cc1 ZINC000224702789 569954131 /nfs/dbraw/zinc/95/41/31/569954131.db2.gz GATZKEQUBRFWQK-UHFFFAOYSA-N 0 0 450.557 2.835 40 0 JFABRN CCOc1ccc(N(CCCC(=O)NCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000224703143 569954148 /nfs/dbraw/zinc/95/41/48/569954148.db2.gz IQBMGGJXOLCLEX-UHFFFAOYSA-N 0 0 450.557 2.965 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000224714841 569954552 /nfs/dbraw/zinc/95/45/52/569954552.db2.gz YSFFUDQCYQRLOS-UHFFFAOYSA-N 0 0 486.421 2.908 40 0 JFABRN Cc1ccc(Cl)cc1N(CC(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O ZINC000224715256 569954565 /nfs/dbraw/zinc/95/45/65/569954565.db2.gz UDUQJSLFRPONBW-UHFFFAOYSA-N 0 0 466.003 2.563 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224717454 569954573 /nfs/dbraw/zinc/95/45/73/569954573.db2.gz GDOWFDIRHRUJQL-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224717335 569954588 /nfs/dbraw/zinc/95/45/88/569954588.db2.gz PAAAYSQGTDOQHQ-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224717289 569954598 /nfs/dbraw/zinc/95/45/98/569954598.db2.gz PAAAYSQGTDOQHQ-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224718328 569954654 /nfs/dbraw/zinc/95/46/54/569954654.db2.gz TVDWFUKWBAMGFL-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN COc1ccc(N(CCCC(=O)NCCOc2ccccc2C)S(C)(=O)=O)cc1OC ZINC000224731348 569955211 /nfs/dbraw/zinc/95/52/11/569955211.db2.gz AFJOHTGVSZLRRW-UHFFFAOYSA-N 0 0 450.557 2.754 40 0 JFABRN COc1ccc(N(CCCC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)cc1OC ZINC000224732386 569955279 /nfs/dbraw/zinc/95/52/79/569955279.db2.gz LAMABCYOIDPDNO-UHFFFAOYSA-N 0 0 454.520 2.584 40 0 JFABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1)c1ccc(OC)c(OC)c1 ZINC000224733460 569955288 /nfs/dbraw/zinc/95/52/88/569955288.db2.gz YPZHLZQXGVNDTO-INIZCTEOSA-N 0 0 462.524 2.795 40 0 JFABRN CC[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224734708 569955342 /nfs/dbraw/zinc/95/53/42/569955342.db2.gz BNXVGBOXNGPHKF-JOCHJYFZSA-N 0 0 463.575 2.519 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224734617 569955363 /nfs/dbraw/zinc/95/53/63/569955363.db2.gz BGYODBZNLFBZBD-IBGZPJMESA-N 0 0 485.606 2.863 40 0 JFABRN CC[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224734782 569955393 /nfs/dbraw/zinc/95/53/93/569955393.db2.gz VALUYXQZWDXDOK-DEOSSOPVSA-N 0 0 473.639 2.997 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O ZINC000224748558 569955902 /nfs/dbraw/zinc/95/59/02/569955902.db2.gz ATKWZCNPCXIZCQ-UHFFFAOYSA-N 0 0 489.638 2.780 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224749493 569955953 /nfs/dbraw/zinc/95/59/53/569955953.db2.gz FPHMLFRFENSJOK-CQSZACIVSA-N 0 0 469.510 2.524 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224760012 569956411 /nfs/dbraw/zinc/95/64/11/569956411.db2.gz QCZLUPKZOBLLQS-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224765837 569956696 /nfs/dbraw/zinc/95/66/96/569956696.db2.gz FPUSXIODQGPUSK-LJQANCHMSA-N 0 0 492.617 2.690 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224768217 569956772 /nfs/dbraw/zinc/95/67/72/569956772.db2.gz LYTCVJZDWBFBKR-FQEVSTJZSA-N 0 0 459.612 2.867 40 0 JFABRN CCN1CCN(C(=O)c2ccc(OC)c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000224795715 569957972 /nfs/dbraw/zinc/95/79/72/569957972.db2.gz BWDCRVMQNABHBB-UHFFFAOYSA-N 0 0 466.003 2.947 40 0 JFABRN CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224827904 569959399 /nfs/dbraw/zinc/95/93/99/569959399.db2.gz AHESTEWOAVSHBD-UHFFFAOYSA-N 0 0 459.612 2.992 40 0 JFABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000224829054 569959466 /nfs/dbraw/zinc/95/94/66/569959466.db2.gz FSMGBKXZYCJLCW-UHFFFAOYSA-N 0 0 450.542 2.621 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224859520 569960522 /nfs/dbraw/zinc/96/05/22/569960522.db2.gz WNFQIPSWWZFPQV-INIZCTEOSA-N 0 0 467.538 2.674 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000224858901 569960525 /nfs/dbraw/zinc/96/05/25/569960525.db2.gz NBPZMUCDCGHXON-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224864257 569960744 /nfs/dbraw/zinc/96/07/44/569960744.db2.gz AUQIUTWXMZTZQU-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1N1C(=O)CCC1=O ZINC000224864951 569960787 /nfs/dbraw/zinc/96/07/87/569960787.db2.gz SMPGNOPTFDMRFL-UHFFFAOYSA-N 0 0 490.925 2.873 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224867796 569960893 /nfs/dbraw/zinc/96/08/93/569960893.db2.gz WHBYRPZXVMBANC-HNNXBMFYSA-N 0 0 485.528 2.813 40 0 JFABRN COc1ccccc1N1CCN(C(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 ZINC000224884173 569961834 /nfs/dbraw/zinc/96/18/34/569961834.db2.gz IQXWPJGPLPIRCD-UHFFFAOYSA-N 0 0 467.538 2.868 40 0 JFABRN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000224886938 569961914 /nfs/dbraw/zinc/96/19/14/569961914.db2.gz PLQQBKHUEIGLIU-UHFFFAOYSA-N 0 0 457.474 2.915 40 0 JFABRN O=C(Nc1nnc(S(=O)(=O)[N-]CCC[NH+]2CCCCCC2)s1)c1ccc(Cl)cc1 ZINC000224919899 569963436 /nfs/dbraw/zinc/96/34/36/569963436.db2.gz CWWKMNSPUNMJHF-UHFFFAOYSA-N 0 0 458.009 2.988 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000224937644 569964100 /nfs/dbraw/zinc/96/41/00/569964100.db2.gz PRYZJTOJXQIVHA-UHFFFAOYSA-N 0 0 481.574 2.927 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1C(=O)N1CCOCC1 ZINC000224956416 569965063 /nfs/dbraw/zinc/96/50/63/569965063.db2.gz GOAMXKXEPPCJNF-UHFFFAOYSA-N 0 0 459.568 2.959 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C(=O)NCC(C)C ZINC000408593749 569965110 /nfs/dbraw/zinc/96/51/10/569965110.db2.gz OCJDOHAQCQOGLJ-UHFFFAOYSA-N 0 0 473.595 2.616 40 0 JFABRN CCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1Cl ZINC000224966594 569965727 /nfs/dbraw/zinc/96/57/27/569965727.db2.gz AVGUDJBYFMXRJO-UHFFFAOYSA-N 0 0 470.931 2.793 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)cc1 ZINC000408596039 569966613 /nfs/dbraw/zinc/96/66/13/569966613.db2.gz MWINQEXRODHCLP-UHFFFAOYSA-N 0 0 485.541 2.834 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000408597081 569967221 /nfs/dbraw/zinc/96/72/21/569967221.db2.gz WGLYUNRBUREIKX-HXUWFJFHSA-N 0 0 479.986 2.530 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224987168 569967584 /nfs/dbraw/zinc/96/75/84/569967584.db2.gz OODZGRRMAZBWIV-QZTJIDSGSA-N 0 0 463.575 2.924 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224993994 569967845 /nfs/dbraw/zinc/96/78/45/569967845.db2.gz FQSWISVFCMAABW-WOJBJXKFSA-N 0 0 474.627 2.631 40 0 JFABRN COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(I)cc2)ccc1C ZINC000408601704 569969288 /nfs/dbraw/zinc/96/92/88/569969288.db2.gz GOMRLLKFAOXDGM-UHFFFAOYSA-N 0 0 474.320 2.777 40 0 JFABRN COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl ZINC000408602041 569969394 /nfs/dbraw/zinc/96/93/94/569969394.db2.gz HNCRCRSLZGABJX-UHFFFAOYSA-N 0 0 454.932 2.695 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccc2c1CCCC2 ZINC000225023190 569969800 /nfs/dbraw/zinc/96/98/00/569969800.db2.gz RGNHPDNFWABDMI-UHFFFAOYSA-N 0 0 460.552 2.612 40 0 JFABRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000408603571 569969985 /nfs/dbraw/zinc/96/99/85/569969985.db2.gz KYSYUQMHWMECNS-INIZCTEOSA-N 0 0 451.976 2.673 40 0 JFABRN Cc1ccccc1N(CCCC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O ZINC000225027966 569970112 /nfs/dbraw/zinc/97/01/12/569970112.db2.gz CVFHYQUWOWZWHN-UHFFFAOYSA-N 0 0 453.586 2.576 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1OC ZINC000408605791 569970970 /nfs/dbraw/zinc/97/09/70/569970970.db2.gz NMKFHLLBVYKRRU-INIZCTEOSA-N 0 0 450.557 2.517 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000408606607 569971216 /nfs/dbraw/zinc/97/12/16/569971216.db2.gz LAXNWCUIUAUYPG-UHFFFAOYSA-N 0 0 461.584 2.981 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225045442 569971558 /nfs/dbraw/zinc/97/15/58/569971558.db2.gz WQWUTDZVYRZJHF-RBUKOAKNSA-N 0 0 485.606 2.862 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000225062504 569972869 /nfs/dbraw/zinc/97/28/69/569972869.db2.gz XHGCEJSCFVTWLO-UHFFFAOYSA-N 0 0 470.598 2.539 40 0 JFABRN COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)C1 ZINC000408614868 569974306 /nfs/dbraw/zinc/97/43/06/569974306.db2.gz IYRMAGNNNAIKBF-IBGZPJMESA-N 0 0 453.539 2.827 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1nnc(SC(C)C)s1 ZINC000225108909 569975477 /nfs/dbraw/zinc/97/54/77/569975477.db2.gz TZXKCIVNKZOWIA-UHFFFAOYSA-N 0 0 455.631 2.535 40 0 JFABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 ZINC000408616469 569975617 /nfs/dbraw/zinc/97/56/17/569975617.db2.gz ZCFYHXSWAIAEIR-GDBMZVCRSA-N 0 0 459.930 2.516 40 0 JFABRN CCn1c2ccc(NC(=O)[C@@H](C)N(c3ccc(OC)c(OC)c3)S(C)(=O)=O)cc2sc1=O ZINC000225115180 569975751 /nfs/dbraw/zinc/97/57/51/569975751.db2.gz NWTUQARMAMQRHQ-CYBMUJFWSA-N 0 0 479.580 2.893 40 0 JFABRN CCn1c2ccc(NC(=O)[C@@H](C)N(c3cc(OC)ccc3OC)S(C)(=O)=O)cc2sc1=O ZINC000225115082 569975756 /nfs/dbraw/zinc/97/57/56/569975756.db2.gz BGLIDCGCCYQBCE-CYBMUJFWSA-N 0 0 479.580 2.893 40 0 JFABRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCCN1CCOCC1 ZINC000408616831 569975853 /nfs/dbraw/zinc/97/58/53/569975853.db2.gz CGPUTWZALBSSNA-UHFFFAOYSA-N 0 0 472.394 2.637 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1C ZINC000408616916 569975970 /nfs/dbraw/zinc/97/59/70/569975970.db2.gz BNVDAGQFTGARNF-CQSZACIVSA-N 0 0 480.539 2.503 40 0 JFABRN Cc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408617389 569976131 /nfs/dbraw/zinc/97/61/31/569976131.db2.gz GJJNITKCUXMHFC-UHFFFAOYSA-N 0 0 466.003 2.682 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1 ZINC000408617457 569976169 /nfs/dbraw/zinc/97/61/69/569976169.db2.gz CXUVRDOASVHDRS-UHFFFAOYSA-N 0 0 490.578 2.990 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225121461 569976365 /nfs/dbraw/zinc/97/63/65/569976365.db2.gz UNPWXBVKBKNDNH-QHCPKHFHSA-N 0 0 488.654 2.941 40 0 JFABRN CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)S(C)(=O)=O ZINC000408619217 569977223 /nfs/dbraw/zinc/97/72/23/569977223.db2.gz NEGIODCPKUFZMI-UHFFFAOYSA-N 0 0 466.563 2.979 40 0 JFABRN CCCSc1nnc(NC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)s1 ZINC000225137624 569977318 /nfs/dbraw/zinc/97/73/18/569977318.db2.gz PFPZXRVUKKZYFV-LLVKDONJSA-N 0 0 460.603 2.851 40 0 JFABRN COC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000408619482 569977374 /nfs/dbraw/zinc/97/73/74/569977374.db2.gz IOJLHFJVNACDTF-HNNXBMFYSA-N 0 0 455.374 2.791 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000408620613 569977835 /nfs/dbraw/zinc/97/78/35/569977835.db2.gz PTDVKYXXYZOKAI-UHFFFAOYSA-N 0 0 456.904 2.549 40 0 JFABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000408620789 569977948 /nfs/dbraw/zinc/97/79/48/569977948.db2.gz MBLBSPYNIQGREJ-UHFFFAOYSA-N 0 0 494.057 2.905 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225151441 569978267 /nfs/dbraw/zinc/97/82/67/569978267.db2.gz BHZNGSCNDGFJES-CVEARBPZSA-N 0 0 491.997 2.817 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408621575 569978414 /nfs/dbraw/zinc/97/84/14/569978414.db2.gz LOSYOFNZELLLKL-AHKGRUIUSA-N 0 0 478.014 2.873 40 0 JFABRN Cc1ccc(CN(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000408622500 569978887 /nfs/dbraw/zinc/97/88/87/569978887.db2.gz OVRABIFNQYIRMS-UHFFFAOYSA-N 0 0 487.666 2.950 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225158607 569979057 /nfs/dbraw/zinc/97/90/57/569979057.db2.gz PVVCDYRMPZGWBP-OAQYLSRUSA-N 0 0 485.606 2.863 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000408623101 569979134 /nfs/dbraw/zinc/97/91/34/569979134.db2.gz OWRBERLWHINBMV-KRWDZBQOSA-N 0 0 466.003 2.981 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000408624803 569979876 /nfs/dbraw/zinc/97/98/76/569979876.db2.gz UTOKWTBHSGEZEV-UHFFFAOYSA-N 0 0 466.003 2.682 40 0 JFABRN CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)sc2c1CCC2 ZINC000408627298 569981058 /nfs/dbraw/zinc/98/10/58/569981058.db2.gz ZFPSKCALXVZDEB-UHFFFAOYSA-N 0 0 452.554 2.827 40 0 JFABRN Cc1cc(N(CC(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)ccc1Br ZINC000408629483 569981643 /nfs/dbraw/zinc/98/16/43/569981643.db2.gz BUXNITNRPZPEHJ-UHFFFAOYSA-N 0 0 452.330 2.509 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000225193946 569981666 /nfs/dbraw/zinc/98/16/66/569981666.db2.gz XHQHYSBPCGARKS-OAHLLOKOSA-N 0 0 471.501 2.635 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000408629709 569981706 /nfs/dbraw/zinc/98/17/06/569981706.db2.gz GQQXHBXKPMCMJX-UHFFFAOYSA-N 0 0 483.974 2.520 40 0 JFABRN Cc1cc(Cl)ccc1N(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000408629678 569981720 /nfs/dbraw/zinc/98/17/20/569981720.db2.gz GDPNKZRYTYHQBQ-UHFFFAOYSA-N 0 0 466.003 2.682 40 0 JFABRN CCOC(=O)c1c(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)sc2c1CCC2 ZINC000408629660 569981731 /nfs/dbraw/zinc/98/17/31/569981731.db2.gz FTNGJXRVYBTXKS-UHFFFAOYSA-N 0 0 466.537 2.547 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000225223923 569983658 /nfs/dbraw/zinc/98/36/58/569983658.db2.gz COHDJAIUMSWDIK-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN COc1ccc(N(CCCC(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1 ZINC000225225173 569983913 /nfs/dbraw/zinc/98/39/13/569983913.db2.gz VXYUUSPHRJEUQF-UHFFFAOYSA-N 0 0 458.540 2.916 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225240481 569984963 /nfs/dbraw/zinc/98/49/63/569984963.db2.gz CKFGXLAESJFMJA-LJQANCHMSA-N 0 0 491.997 2.818 40 0 JFABRN COc1ccc(-c2noc(CNC(=O)CCCN(c3ccccc3F)S(C)(=O)=O)n2)cc1 ZINC000225242432 569985080 /nfs/dbraw/zinc/98/50/80/569985080.db2.gz ZPYRCPVAHHRJGE-UHFFFAOYSA-N 0 0 462.503 2.747 40 0 JFABRN CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(OCc2ccccc2)cc1 ZINC000225249317 569985680 /nfs/dbraw/zinc/98/56/80/569985680.db2.gz ZKQHSESURDJOLM-JOCHJYFZSA-N 0 0 482.558 2.988 40 0 JFABRN COC(=O)c1cc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000225250868 569985732 /nfs/dbraw/zinc/98/57/32/569985732.db2.gz XKSBCYHWEAOBBP-UHFFFAOYSA-N 0 0 462.524 2.753 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000225265193 569986887 /nfs/dbraw/zinc/98/68/87/569986887.db2.gz OKPZBFZEBLCFON-NHCUHLMSSA-N 0 0 458.580 2.617 40 0 JFABRN Cc1ccc2c(c1)O[C@H](C(=O)NC[C@@H]1COc3ccccc3O1)CN2S(=O)(=O)c1ccccc1 ZINC000225268496 569987137 /nfs/dbraw/zinc/98/71/37/569987137.db2.gz UJQMMHOXHSZGJB-KOSHJBKYSA-N 0 0 480.542 2.908 40 0 JFABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)c(Cl)c2)cc1 ZINC000408637120 569987157 /nfs/dbraw/zinc/98/71/57/569987157.db2.gz XZUYXRSDKRILFS-UHFFFAOYSA-N 0 0 454.932 2.777 40 0 JFABRN CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000225275919 569987677 /nfs/dbraw/zinc/98/76/77/569987677.db2.gz PGKGBEWVJSZWTM-WBVHZDCISA-N 0 0 468.959 2.849 40 0 JFABRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)Oc2ccccc21 ZINC000225355070 569992572 /nfs/dbraw/zinc/99/25/72/569992572.db2.gz BBFGKEDNVHEDIB-KRWDZBQOSA-N 0 0 460.537 2.770 40 0 JFABRN COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)CC1=O ZINC000408651264 569994220 /nfs/dbraw/zinc/99/42/20/569994220.db2.gz CXYCXVYQOFUETK-LBPRGKRZSA-N 0 0 480.304 2.677 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225398146 569994919 /nfs/dbraw/zinc/99/49/19/569994919.db2.gz DAXQKYKDINIXES-QZTJIDSGSA-N 0 0 493.601 2.932 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225401589 569995040 /nfs/dbraw/zinc/99/50/40/569995040.db2.gz QURRWHCLPWZZRH-JOCHJYFZSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225408727 569995413 /nfs/dbraw/zinc/99/54/13/569995413.db2.gz YFJOTBFBFKPUQY-YHBROIRLSA-N 0 0 469.582 2.668 40 0 JFABRN COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)c1 ZINC000408653602 569995526 /nfs/dbraw/zinc/99/55/26/569995526.db2.gz IULZTBCNVKCQHQ-QGZVFWFLSA-N 0 0 454.479 2.795 40 0 JFABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1C ZINC000408653502 569995558 /nfs/dbraw/zinc/99/55/58/569995558.db2.gz IEUXUXBILZKTRR-INIZCTEOSA-N 0 0 488.338 2.741 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000225421650 569995991 /nfs/dbraw/zinc/99/59/91/569995991.db2.gz CVEPRULDRIYVRO-QGZVFWFLSA-N 0 0 463.575 2.878 40 0 JFABRN Cc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000408654135 569996034 /nfs/dbraw/zinc/99/60/34/569996034.db2.gz JRAANXAQSABJGB-GOSISDBHSA-N 0 0 451.523 2.968 40 0 JFABRN Cc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000408654137 569996062 /nfs/dbraw/zinc/99/60/62/569996062.db2.gz JRAANXAQSABJGB-SFHVURJKSA-N 0 0 451.523 2.968 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000225424349 569996261 /nfs/dbraw/zinc/99/62/61/569996261.db2.gz JPKNSFRXKYLIBQ-QGZVFWFLSA-N 0 0 471.554 2.908 40 0 JFABRN COC(=O)c1ccc(Cl)c(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 ZINC000225426389 569996328 /nfs/dbraw/zinc/99/63/28/569996328.db2.gz QFOLBJVLRNXNDN-UHFFFAOYSA-N 0 0 496.969 2.727 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000408655204 569996656 /nfs/dbraw/zinc/99/66/56/569996656.db2.gz LLTZUJWDEMDATI-CQSZACIVSA-N 0 0 475.295 2.771 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225437879 569996825 /nfs/dbraw/zinc/99/68/25/569996825.db2.gz NDTLZNFKACTBJB-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225438813 569996908 /nfs/dbraw/zinc/99/69/08/569996908.db2.gz WLVPHLALMGDPCA-RBUKOAKNSA-N 0 0 477.602 2.966 40 0 JFABRN COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)on2)C3=O)c(OC)c1 ZINC000408655494 569996927 /nfs/dbraw/zinc/99/69/27/569996927.db2.gz DEIIBRWXIYKJHU-UHFFFAOYSA-N 0 0 465.418 2.596 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225439341 569996971 /nfs/dbraw/zinc/99/69/71/569996971.db2.gz NSBMDYQOPDFFKU-JOCHJYFZSA-N 0 0 477.602 2.968 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225438767 569996996 /nfs/dbraw/zinc/99/69/96/569996996.db2.gz WLVPHLALMGDPCA-RTBURBONSA-N 0 0 477.602 2.966 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000225450466 569997346 /nfs/dbraw/zinc/99/73/46/569997346.db2.gz LAZIAWSTHDJHCO-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225460351 569997671 /nfs/dbraw/zinc/99/76/71/569997671.db2.gz JPDQBIALRQBEIM-IBGZPJMESA-N 0 0 459.612 2.957 40 0 JFABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2cccc(C)c2)C1 ZINC000408656651 569997820 /nfs/dbraw/zinc/99/78/20/569997820.db2.gz NTKWSHKPZFBNKO-FQEVSTJZSA-N 0 0 451.523 2.795 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225474476 569998518 /nfs/dbraw/zinc/99/85/18/569998518.db2.gz XMRVBNGBXCDHRB-PXNSSMCTSA-N 0 0 471.579 2.553 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225485828 569999105 /nfs/dbraw/zinc/99/91/05/569999105.db2.gz FQQBFFNZGGFSGV-NQIIRXRSSA-N 0 0 485.606 2.943 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225490086 569999432 /nfs/dbraw/zinc/99/94/32/569999432.db2.gz DQTJJQNEXUWVCJ-MRXNPFEDSA-N 0 0 496.427 2.541 40 0 JFABRN COc1ccc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2c1 ZINC000225498272 570000005 /nfs/dbraw/zinc/00/00/05/570000005.db2.gz VNJNMVXNPOPBRL-UHFFFAOYSA-N 0 0 462.549 2.670 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)COc3ccccc3OC)CC2)cc1 ZINC000225501801 570000378 /nfs/dbraw/zinc/00/03/78/570000378.db2.gz MTJMTMQTVASDDG-KRWDZBQOSA-N 0 0 462.568 2.688 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000225502424 570000459 /nfs/dbraw/zinc/00/04/59/570000459.db2.gz ZARFAMWCHTXVNP-UHFFFAOYSA-N 0 0 470.551 2.805 40 0 JFABRN Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c1 ZINC000408661440 570000929 /nfs/dbraw/zinc/00/09/29/570000929.db2.gz VVTVVGJCIWESEZ-INIZCTEOSA-N 0 0 488.338 2.741 40 0 JFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225510218 570001112 /nfs/dbraw/zinc/00/11/12/570001112.db2.gz HWFIWSADTUGSEW-DEOSSOPVSA-N 0 0 497.592 2.978 40 0 JFABRN COc1cccc(N(CCCC(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)c1 ZINC000225512464 570001309 /nfs/dbraw/zinc/00/13/09/570001309.db2.gz MPHYEERIGPJJCS-UHFFFAOYSA-N 0 0 458.540 2.916 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 ZINC000225519592 570001982 /nfs/dbraw/zinc/00/19/82/570001982.db2.gz YPWIHXZWUDZXRG-KRWDZBQOSA-N 0 0 474.535 2.608 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 ZINC000225519895 570002004 /nfs/dbraw/zinc/00/20/04/570002004.db2.gz BUGFWBYSMVIMDA-LJQANCHMSA-N 0 0 491.635 2.819 40 0 JFABRN COc1cc(CNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)ccc1OC(C)C ZINC000225523100 570002309 /nfs/dbraw/zinc/00/23/09/570002309.db2.gz MLEHYQURZSNFAJ-MRXNPFEDSA-N 0 0 450.557 2.962 40 0 JFABRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)n2)cc1 ZINC000225528076 570002650 /nfs/dbraw/zinc/00/26/50/570002650.db2.gz BYIAVJAINZDHTC-UHFFFAOYSA-N 0 0 480.572 2.792 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000408663890 570002748 /nfs/dbraw/zinc/00/27/48/570002748.db2.gz PJJFBVQLOXTSLF-UHFFFAOYSA-N 0 0 456.451 2.551 40 0 JFABRN COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000408664560 570003338 /nfs/dbraw/zinc/00/33/38/570003338.db2.gz ZVFHSNMLLNOJGS-LBPRGKRZSA-N 0 0 480.304 2.677 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1 ZINC000408665411 570003932 /nfs/dbraw/zinc/00/39/32/570003932.db2.gz ROHAUBMMCRFVLC-WOJBJXKFSA-N 0 0 464.474 2.948 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)cc1 ZINC000408665404 570003940 /nfs/dbraw/zinc/00/39/40/570003940.db2.gz ROHAUBMMCRFVLC-BGYRXZFFSA-N 0 0 464.474 2.948 40 0 JFABRN COc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)cc1 ZINC000225541802 570004109 /nfs/dbraw/zinc/00/41/09/570004109.db2.gz XREPXRYIZNJODR-INIZCTEOSA-N 0 0 474.514 2.601 40 0 JFABRN COc1cccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1 ZINC000225541752 570004112 /nfs/dbraw/zinc/00/41/12/570004112.db2.gz FZTSVTVMRMJQNA-INIZCTEOSA-N 0 0 474.514 2.601 40 0 JFABRN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225561321 570005841 /nfs/dbraw/zinc/00/58/41/570005841.db2.gz TZLOBNOBBHGVRI-UHFFFAOYSA-N 0 0 471.579 2.976 40 0 JFABRN CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000225571301 570006562 /nfs/dbraw/zinc/00/65/62/570006562.db2.gz BMAUNFYPKLJUNL-HXUWFJFHSA-N 0 0 450.582 2.756 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225581908 570007353 /nfs/dbraw/zinc/00/73/53/570007353.db2.gz ZYPOIYMUCXPVDV-MRXNPFEDSA-N 0 0 467.538 2.673 40 0 JFABRN CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(C(=O)OC)cc1)N1C(=O)c2ccccc2C1=O ZINC000408671627 570007840 /nfs/dbraw/zinc/00/78/40/570007840.db2.gz ZPGQZNYTVRWKIH-IBGZPJMESA-N 0 0 452.463 2.810 40 0 JFABRN CCCC[C@H](C(=O)OCC(=O)Nc1ccc(C(=O)OC)cc1)N1C(=O)c2ccccc2C1=O ZINC000408671628 570007851 /nfs/dbraw/zinc/00/78/51/570007851.db2.gz ZPGQZNYTVRWKIH-LJQANCHMSA-N 0 0 452.463 2.810 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000225587712 570007906 /nfs/dbraw/zinc/00/79/06/570007906.db2.gz PNDNXBXFDSMEIA-KRWDZBQOSA-N 0 0 496.580 2.520 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)Nc1ccc(Br)cc1 ZINC000408672422 570008251 /nfs/dbraw/zinc/00/82/51/570008251.db2.gz WNNLCMRHEUWVSS-LBPRGKRZSA-N 0 0 494.729 2.778 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)c(C)c2)cc1C ZINC000408675447 570010248 /nfs/dbraw/zinc/01/02/48/570010248.db2.gz ZNJFIBKXISMURX-UHFFFAOYSA-N 0 0 459.568 2.515 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225654296 570012596 /nfs/dbraw/zinc/01/25/96/570012596.db2.gz LQOXSYYTNFRGQE-OXQOHEQNSA-N 0 0 489.569 2.692 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225655545 570012621 /nfs/dbraw/zinc/01/26/21/570012621.db2.gz SLYCPQWATKMLRL-IBGZPJMESA-N 0 0 489.638 2.966 40 0 JFABRN CSc1nnc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)s1 ZINC000225655124 570012632 /nfs/dbraw/zinc/01/26/32/570012632.db2.gz IQNIMDHLPVSQDH-UHFFFAOYSA-N 0 0 451.393 2.736 40 0 JFABRN COC(=O)c1cc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)ccc1Cl ZINC000225667061 570013494 /nfs/dbraw/zinc/01/34/94/570013494.db2.gz AKEPTJGOGCQMSN-UHFFFAOYSA-N 0 0 454.932 2.957 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000225673797 570013927 /nfs/dbraw/zinc/01/39/27/570013927.db2.gz NAUWMHIBDJSQLH-IBGZPJMESA-N 0 0 489.638 2.966 40 0 JFABRN Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)N[C@H](C)c4ccccc4)cc3C2=O)s1 ZINC000408685567 570013919 /nfs/dbraw/zinc/01/39/19/570013919.db2.gz LNOWNJYRKGGMBH-GFCCVEGCSA-N 0 0 450.476 2.681 40 0 JFABRN Cn1c2ccc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2sc1=O ZINC000225676416 570013943 /nfs/dbraw/zinc/01/39/43/570013943.db2.gz NOJPFQBZKRUUKT-UHFFFAOYSA-N 0 0 481.621 2.966 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000225682205 570014277 /nfs/dbraw/zinc/01/42/77/570014277.db2.gz XNRLVIAGBLFBRO-SFHVURJKSA-N 0 0 493.601 2.790 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225681399 570014334 /nfs/dbraw/zinc/01/43/34/570014334.db2.gz NCPLPQMYZIEVLH-GOSISDBHSA-N 0 0 463.575 2.781 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225690823 570014899 /nfs/dbraw/zinc/01/48/99/570014899.db2.gz VUTZLHYGQDMXGD-KRWDZBQOSA-N 0 0 489.569 2.550 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225691202 570015035 /nfs/dbraw/zinc/01/50/35/570015035.db2.gz ZHJDRLJNQYXPHJ-QGZVFWFLSA-N 0 0 481.565 2.715 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225696394 570015552 /nfs/dbraw/zinc/01/55/52/570015552.db2.gz JNPZJGDNUBYNJI-GOSISDBHSA-N 0 0 480.030 2.945 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 ZINC000408693002 570015796 /nfs/dbraw/zinc/01/57/96/570015796.db2.gz ASECRUOMYBGIOA-UHFFFAOYSA-N 0 0 495.623 2.763 40 0 JFABRN CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC)c1ccc(S(C)(=O)=O)cc1 ZINC000225698036 570015907 /nfs/dbraw/zinc/01/59/07/570015907.db2.gz FKBYITUOEHVRDM-INIZCTEOSA-N 0 0 454.595 2.916 40 0 JFABRN COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC ZINC000225705409 570016111 /nfs/dbraw/zinc/01/61/11/570016111.db2.gz STROATQFYWFMRO-AWEZNQCLSA-N 0 0 456.511 2.886 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225707191 570016342 /nfs/dbraw/zinc/01/63/42/570016342.db2.gz SVFASANCZIETDM-OAQYLSRUSA-N 0 0 463.575 2.924 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225707158 570016352 /nfs/dbraw/zinc/01/63/52/570016352.db2.gz SVFASANCZIETDM-NRFANRHFSA-N 0 0 463.575 2.924 40 0 JFABRN O=C(Nc1nnc(S(=O)(=O)[N-]CCC[NH+]2CCCC2)s1)c1ccc(Cl)cc1Cl ZINC000225771327 570020860 /nfs/dbraw/zinc/02/08/60/570020860.db2.gz DPDUFFRFWSUNAQ-UHFFFAOYSA-N 0 0 464.400 2.861 40 0 JFABRN CCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1S(=O)(=O)NC(C)C ZINC000408700951 570021438 /nfs/dbraw/zinc/02/14/38/570021438.db2.gz OVUNODUHFJHLLY-UHFFFAOYSA-N 0 0 478.523 2.598 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(OC(C)C)cc1 ZINC000225787459 570021699 /nfs/dbraw/zinc/02/16/99/570021699.db2.gz OOZBJEXTANQLRK-UHFFFAOYSA-N 0 0 476.595 2.752 40 0 JFABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000408701414 570021887 /nfs/dbraw/zinc/02/18/87/570021887.db2.gz XMNCBVCRIKYFRQ-KRWDZBQOSA-N 0 0 495.623 2.505 40 0 JFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)CC1 ZINC000408702504 570022536 /nfs/dbraw/zinc/02/25/36/570022536.db2.gz HNTNKTOXISQHII-UHFFFAOYSA-N 0 0 466.003 2.767 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc2c(c1)OCO2 ZINC000408703017 570023020 /nfs/dbraw/zinc/02/30/20/570023020.db2.gz DALDTCPODRVCAD-UHFFFAOYSA-N 0 0 473.551 2.836 40 0 JFABRN C[C@H](C(=O)Nc1ccccc1C(=O)N1CCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704326 570023932 /nfs/dbraw/zinc/02/39/32/570023932.db2.gz LZUXLCPZXFXKAL-QGZVFWFLSA-N 0 0 487.578 2.877 40 0 JFABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704550 570024127 /nfs/dbraw/zinc/02/41/27/570024127.db2.gz PMGCTWVVTVNVIP-INIZCTEOSA-N 0 0 475.567 2.637 40 0 JFABRN CS(=O)(=O)N1CCc2cc(C(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)ccc21 ZINC000225842904 570024330 /nfs/dbraw/zinc/02/43/30/570024330.db2.gz NNSKXKINUNJRIW-DEOSSOPVSA-N 0 0 491.569 2.733 40 0 JFABRN CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408705199 570024424 /nfs/dbraw/zinc/02/44/24/570024424.db2.gz ZQIKQVCKTCUGTR-INIZCTEOSA-N 0 0 475.567 2.781 40 0 JFABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000408705126 570024464 /nfs/dbraw/zinc/02/44/64/570024464.db2.gz YMAPEEJLXUPHFI-LBPRGKRZSA-N 0 0 468.915 2.691 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccc(OC)c(OC)c1OC ZINC000225852259 570024907 /nfs/dbraw/zinc/02/49/07/570024907.db2.gz XADYYHATBSPPRN-UHFFFAOYSA-N 0 0 492.594 2.755 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSCc2ccccc2F)cc1OC ZINC000225854745 570025045 /nfs/dbraw/zinc/02/50/45/570025045.db2.gz QYWBZEMXYJPTLM-UHFFFAOYSA-N 0 0 456.561 2.513 40 0 JFABRN Cc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1S(=O)(=O)N1CCOCC1 ZINC000225859987 570025338 /nfs/dbraw/zinc/02/53/38/570025338.db2.gz DRWNZZCDIQTLNN-UHFFFAOYSA-N 0 0 456.615 2.868 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000225876630 570026176 /nfs/dbraw/zinc/02/61/76/570026176.db2.gz WPXRAUKQLMOBJX-UHFFFAOYSA-N 0 0 480.539 2.684 40 0 JFABRN CC(C)CNC(=S)Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225891616 570026448 /nfs/dbraw/zinc/02/64/48/570026448.db2.gz GYVZGRQOECSQFY-UHFFFAOYSA-N 0 0 455.632 2.582 40 0 JFABRN COCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225897724 570026449 /nfs/dbraw/zinc/02/64/49/570026449.db2.gz ONQPNBYCAPWTNV-UHFFFAOYSA-N 0 0 455.632 2.726 40 0 JFABRN COCCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225900389 570026601 /nfs/dbraw/zinc/02/66/01/570026601.db2.gz PRJBIZKWFDXBPP-UHFFFAOYSA-N 0 0 455.632 2.726 40 0 JFABRN CC1CCN(c2cc(N3CCCCCC3)nc(NC(=S)NCCN3CCOCC3)n2)CC1 ZINC000225904133 570026821 /nfs/dbraw/zinc/02/68/21/570026821.db2.gz UVXNVYQJKYMTIW-UHFFFAOYSA-N 0 0 461.680 2.712 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)Cn2ccc(=O)c3cc(Br)ccc32)c2ccccc2O1 ZINC000225919217 570027584 /nfs/dbraw/zinc/02/75/84/570027584.db2.gz AYVIDAFKYDFTAF-LJQANCHMSA-N 0 0 457.280 2.731 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c2ccccc2O1 ZINC000225924601 570027929 /nfs/dbraw/zinc/02/79/29/570027929.db2.gz GWLQTHCNEJGWLZ-OAQYLSRUSA-N 0 0 472.563 2.671 40 0 JFABRN COc1ccc([C@@H](CC(=O)Nc2ccc(I)cc2)NS(C)(=O)=O)cc1 ZINC000225955730 570029616 /nfs/dbraw/zinc/02/96/16/570029616.db2.gz KMWVEIPOTVUNEB-MRXNPFEDSA-N 0 0 474.320 2.919 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(CC(N)=O)cc2)cc1 ZINC000225999728 570031727 /nfs/dbraw/zinc/03/17/27/570031727.db2.gz MAYUYBDZPGPVPV-UHFFFAOYSA-N 0 0 465.575 2.895 40 0 JFABRN Cc1nc(SCCNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC000226000252 570031862 /nfs/dbraw/zinc/03/18/62/570031862.db2.gz PHNVWNNNWZTCIB-UHFFFAOYSA-N 0 0 451.618 2.653 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccccc2F)cc1 ZINC000226022439 570033326 /nfs/dbraw/zinc/03/33/26/570033326.db2.gz BHUXHZJDAOPPBQ-UHFFFAOYSA-N 0 0 469.538 2.992 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000226026986 570033349 /nfs/dbraw/zinc/03/33/49/570033349.db2.gz XNEZAIFKWAYREX-UHFFFAOYSA-N 0 0 455.511 2.683 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccc(F)cc2)cc1 ZINC000226027621 570033451 /nfs/dbraw/zinc/03/34/51/570033451.db2.gz GJAODUMBONIKSV-UHFFFAOYSA-N 0 0 469.538 2.992 40 0 JFABRN CN(CC(=O)NCCNc1ccnc2cc(Cl)ccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000226036719 570033611 /nfs/dbraw/zinc/03/36/11/570033611.db2.gz WHNMRRUIJLKXTJ-UHFFFAOYSA-N 0 0 450.923 2.876 40 0 JFABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCSc2nc[nH]n2)Cc2ccccc2)c(C)c1 ZINC000226033270 570033641 /nfs/dbraw/zinc/03/36/41/570033641.db2.gz ZMCKZUHIQXZODZ-UHFFFAOYSA-N 0 0 473.624 2.829 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000226044529 570033861 /nfs/dbraw/zinc/03/38/61/570033861.db2.gz AOVYLUQYDXYTHB-UHFFFAOYSA-N 0 0 459.568 2.509 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1Cl ZINC000226047343 570034160 /nfs/dbraw/zinc/03/41/60/570034160.db2.gz SUCGLOJYSJMKQP-UHFFFAOYSA-N 0 0 496.014 2.663 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1Cl ZINC000226047537 570034167 /nfs/dbraw/zinc/03/41/67/570034167.db2.gz GVJPETZDEYGODH-UHFFFAOYSA-N 0 0 479.986 2.773 40 0 JFABRN CCN(CC(=O)NCCSc1n[nH]c(-c2ccccc2)n1)S(=O)(=O)c1ccc(F)cc1 ZINC000226056281 570034751 /nfs/dbraw/zinc/03/47/51/570034751.db2.gz BXZQLVRRKGLHHN-UHFFFAOYSA-N 0 0 463.560 2.530 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCCSc1nc[nH]n1)Cc1ccccc1 ZINC000226066704 570035442 /nfs/dbraw/zinc/03/54/42/570035442.db2.gz BJSFXVSNHLUWNC-UHFFFAOYSA-N 0 0 496.014 2.566 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)CN(CC)S(=O)(=O)c2cc(F)ccc2OC)cc1 ZINC000226069856 570035598 /nfs/dbraw/zinc/03/55/98/570035598.db2.gz CBEROPPDDDIDAC-UHFFFAOYSA-N 0 0 452.504 2.589 40 0 JFABRN CCN(CC(=O)NCCSc1n[nH]c(-c2ccccc2)n1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000226070416 570035650 /nfs/dbraw/zinc/03/56/50/570035650.db2.gz VFFXQXRZJQCMSK-UHFFFAOYSA-N 0 0 489.623 2.708 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000226073507 570035910 /nfs/dbraw/zinc/03/59/10/570035910.db2.gz CDKFEXYQNKHCNJ-UHFFFAOYSA-N 0 0 480.384 2.516 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)NCC(C)C)cc3)c2)n1 ZINC000226087085 570036914 /nfs/dbraw/zinc/03/69/14/570036914.db2.gz GYJZBVUTWGXTQI-UHFFFAOYSA-N 0 0 470.551 2.697 40 0 JFABRN COc1cccc(C(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 ZINC000226347325 570037567 /nfs/dbraw/zinc/03/75/67/570037567.db2.gz XIFSVJBSGJOGLU-QUWPRKBASA-N 0 0 459.498 2.840 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408776134 570040314 /nfs/dbraw/zinc/04/03/14/570040314.db2.gz MHPYLKVCLHTVMX-DPWKNNTCSA-N 0 0 456.545 2.574 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC[C@@H](C)C3)cc2c1 ZINC000231510134 570046703 /nfs/dbraw/zinc/04/67/03/570046703.db2.gz MZGCCTQYOFRAMY-ZWDAVXSWSA-N 0 0 452.559 2.914 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)oc(C)c(-c2cscn2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238924036 570048022 /nfs/dbraw/zinc/04/80/22/570048022.db2.gz QLPBVUOEXHYSIY-GCZGMXNJSA-N 0 0 589.575 2.687 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H]1N(C2CCCC2)C(=O)[C@@H]2[C@H](C(=O)NCc3cccs3)[C@H]3C=C[C@@]12O3 ZINC000245227472 570055220 /nfs/dbraw/zinc/05/52/20/570055220.db2.gz OFTGLLBKGULVDB-CIICBDETSA-N 0 0 471.623 2.762 40 0 JFABRN CCOC(=O)[C@]1(C)N[C@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000245229717 570056188 /nfs/dbraw/zinc/05/61/88/570056188.db2.gz DSWHZCCDFZIMPG-BTKWVRSESA-N 0 0 480.517 2.678 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(c2cccnc2)C(=O)[C@H]2[C@H](C(=O)Nc3ccccc3F)[C@@]3(C)C=C[C@@]12O3 ZINC000245230001 570056293 /nfs/dbraw/zinc/05/62/93/570056293.db2.gz JSWKVDFMYAQIAI-XCTUXTECSA-N 0 0 478.524 2.819 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000245230208 570056372 /nfs/dbraw/zinc/05/63/72/570056372.db2.gz NKHFTZBGCLGXNM-PABYOWBDSA-N 0 0 458.511 2.646 40 0 JFABRN CCC[C@]1(C(=O)OC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000245230374 570056495 /nfs/dbraw/zinc/05/64/95/570056495.db2.gz QDNNJANLDZUYRT-IFOBJOEFSA-N 0 0 496.516 2.595 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000408862463 570057456 /nfs/dbraw/zinc/05/74/56/570057456.db2.gz JWAZHJFWSBQSQH-IMEWXKHHSA-N 0 0 465.575 2.762 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(F)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408873679 570060476 /nfs/dbraw/zinc/06/04/76/570060476.db2.gz URWLQJNWZAJWGN-FNGUVFISSA-N 0 0 467.522 2.967 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408885353 570064380 /nfs/dbraw/zinc/06/43/80/570064380.db2.gz ZVGKJHZBDBLZOU-FNGUVFISSA-N 0 0 467.522 2.967 40 0 JFABRN COC(=O)C1=C(NCCc2ccc(OC)c(OC)c2)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccccc1 ZINC000252430657 570080391 /nfs/dbraw/zinc/08/03/91/570080391.db2.gz CHCBNBXOVYBRHA-DPPGTGKWSA-N 0 0 483.561 2.991 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc(OC)c4)c(=O)n32)cc1OCC ZINC000408933187 570080778 /nfs/dbraw/zinc/08/07/78/570080778.db2.gz IFNYWRNKSWSRMH-UWYGHVLSSA-N 0 0 494.569 2.824 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408934617 570080989 /nfs/dbraw/zinc/08/09/89/570080989.db2.gz CRCYZGBROOBYLK-YOGOOIESSA-N 0 0 498.944 2.799 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408987609 570093033 /nfs/dbraw/zinc/09/30/33/570093033.db2.gz QRGVHUSAWUVULK-AFHVAHMMSA-N 0 0 482.533 2.955 40 0 JFABRN CCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000408992896 570094643 /nfs/dbraw/zinc/09/46/43/570094643.db2.gz UXLREFGALPBJSS-KRWDZBQOSA-N 0 0 472.348 2.707 40 0 JFABRN O=C(CN1C(=O)N/C(=C\c2cccn2-c2ccc(O)cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409014176 570100483 /nfs/dbraw/zinc/10/04/83/570100483.db2.gz GCYFHUSOUDKCKV-KQWNVCNZSA-N 0 0 487.516 2.551 40 0 JFABRN C[C@@H]1CCCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc4c(cc3[nH]c2=O)OCCO4)C1 ZINC000253499993 570101189 /nfs/dbraw/zinc/10/11/89/570101189.db2.gz MBAZTGAUPXLYDG-ZDPZECHZSA-N 0 0 466.542 2.698 40 0 JFABRN Cc1ccc2[nH]c(=O)c(CN(CCCO)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500405 570101759 /nfs/dbraw/zinc/10/17/59/570101759.db2.gz KJZBLCAHNHMBSH-IRLDBZIGSA-N 0 0 454.575 2.996 40 0 JFABRN COc1ccccc1N1CCN(C(=O)C2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)CC1 ZINC000409023831 570103856 /nfs/dbraw/zinc/10/38/56/570103856.db2.gz RLJRZQBPFXVAHJ-UHFFFAOYSA-N 0 0 497.592 2.922 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(N)=O)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000409024612 570104033 /nfs/dbraw/zinc/10/40/33/570104033.db2.gz GLWAFGXAMDCODE-UHFFFAOYSA-N 0 0 483.546 2.945 40 0 JFABRN CC(C)C(NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)C(C)C ZINC000409025906 570104400 /nfs/dbraw/zinc/10/44/00/570104400.db2.gz ZYZQDFSMDSMUGA-UHFFFAOYSA-N 0 0 452.358 2.854 40 0 JFABRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccccc1OC ZINC000254607546 570106097 /nfs/dbraw/zinc/10/60/97/570106097.db2.gz VTVZUVQMRDUGPF-JOCHJYFZSA-N 0 0 478.526 2.536 40 0 JFABRN CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2=O)cc1 ZINC000257199244 570107540 /nfs/dbraw/zinc/10/75/40/570107540.db2.gz XMBWUKBXLGKHAC-DSKINZAPSA-N 0 0 462.550 2.823 40 0 JFABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cccc(OC)c3O)sc2=N1 ZINC000409042572 570107827 /nfs/dbraw/zinc/10/78/27/570107827.db2.gz YJZVYACWZGVLMR-ZPBCLNFZSA-N 0 0 450.516 2.513 40 0 JFABRN Cc1nn(C)cc1C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257200886 570108070 /nfs/dbraw/zinc/10/80/70/570108070.db2.gz AFGLOZCGHBROAO-UWJYYQICSA-N 0 0 460.962 2.541 40 0 JFABRN O=C(CCn1ccnc1)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 ZINC000257201425 570108158 /nfs/dbraw/zinc/10/81/58/570108158.db2.gz AHQVYSGIWRKKFO-DEOSSOPVSA-N 0 0 474.989 2.863 40 0 JFABRN COc1ccc([C@H]2CN(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CCN2C)cc1 ZINC000257202723 570108587 /nfs/dbraw/zinc/10/85/87/570108587.db2.gz ANBJVPKMQWQQIX-XMMPIXPASA-N 0 0 486.638 2.797 40 0 JFABRN CNc1cc([C@@]2(C)CCCN(C(=O)c3ccccc3OCCN3CCOCC3)C2)nc(C)n1 ZINC000257206446 570109837 /nfs/dbraw/zinc/10/98/37/570109837.db2.gz BDLQWNCMUWJORV-VWLOTQADSA-N 0 0 453.587 2.732 40 0 JFABRN CN1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)c3cncnc3)CC2)CC1 ZINC000257210433 570111309 /nfs/dbraw/zinc/11/13/09/570111309.db2.gz BUOMKKQNEDDFTD-UHFFFAOYSA-N 0 0 471.989 2.596 40 0 JFABRN Cc1nonc1COc1ccccc1C(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000257215541 570112728 /nfs/dbraw/zinc/11/27/28/570112728.db2.gz CQQFCLFOWHTKIJ-VWLOTQADSA-N 0 0 462.506 2.601 40 0 JFABRN CC(C)n1nccc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257219203 570113942 /nfs/dbraw/zinc/11/39/42/570113942.db2.gz DGAAONSTLVBNRH-REWPJTCUSA-N 0 0 453.587 2.538 40 0 JFABRN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCCCO ZINC000409066105 570116384 /nfs/dbraw/zinc/11/63/84/570116384.db2.gz HFJHAHBCXUYFOI-UHFFFAOYSA-N 0 0 475.792 2.792 40 0 JFABRN O=C([O-])c1ccc(O[C@@H]2CN(CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)C[C@H]2O)cc1 ZINC000257228477 570116612 /nfs/dbraw/zinc/11/66/12/570116612.db2.gz FUARKESQZLJAFO-RTBURBONSA-N 0 0 457.483 2.710 40 0 JFABRN COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1OC ZINC000409068139 570117322 /nfs/dbraw/zinc/11/73/22/570117322.db2.gz FUPDAFYJPASGDS-PBJWJZLWSA-N 0 0 488.312 2.607 40 0 JFABRN CN1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)c3cnccn3)CC2)CC1 ZINC000257231081 570117399 /nfs/dbraw/zinc/11/73/99/570117399.db2.gz GFDKSUQKNUQARO-UHFFFAOYSA-N 0 0 471.989 2.596 40 0 JFABRN COc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C1=O)OCO2 ZINC000409069364 570117732 /nfs/dbraw/zinc/11/77/32/570117732.db2.gz IQVJHDPDSRBVHB-MKMNVTDBSA-N 0 0 474.267 2.718 40 0 JFABRN CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccnc1Nc1ccc(OC)cc1 ZINC000257235774 570118857 /nfs/dbraw/zinc/11/88/57/570118857.db2.gz GZJSVKBKXOQGGC-HSZRJFAPSA-N 0 0 459.550 2.906 40 0 JFABRN Cn1c(CNC(=O)CN2CCOC[C@]3(CN(c4ccc(Cl)cc4)C(=O)O3)C2)nc2ccccc21 ZINC000257238142 570119595 /nfs/dbraw/zinc/11/95/95/570119595.db2.gz HJUDUUDBVDJEOD-XMMPIXPASA-N 0 0 483.956 2.571 40 0 JFABRN Cc1cnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCNc3nc(C)cc(C)n3)CC2)cn1 ZINC000257242363 570120790 /nfs/dbraw/zinc/12/07/90/570120790.db2.gz ICDDQKDZIORRQH-QFIPXVFZSA-N 0 0 465.602 2.927 40 0 JFABRN CCc1nc(C)c(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)[nH]1 ZINC000257245165 570121633 /nfs/dbraw/zinc/12/16/33/570121633.db2.gz IOHYNHJBGUHHPC-VWLOTQADSA-N 0 0 490.048 2.748 40 0 JFABRN CCn1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCOCC3)C2)cn1 ZINC000257250000 570123155 /nfs/dbraw/zinc/12/31/55/570123155.db2.gz JKOQCYXHVDUJLQ-UWJYYQICSA-N 0 0 460.962 2.715 40 0 JFABRN Cc1nc(N(C)C)cc([C@]2(C)CCCN(C(=O)c3ccccc3OCCN3CCOCC3)C2)n1 ZINC000257254621 570124659 /nfs/dbraw/zinc/12/46/59/570124659.db2.gz KDYWMLCANHTFPA-AREMUKBSSA-N 0 0 467.614 2.756 40 0 JFABRN Cc1nn(C)cc1NC(=O)CN1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1 ZINC000257255831 570124904 /nfs/dbraw/zinc/12/49/04/570124904.db2.gz KJAQEPXYCMCCDR-NRFANRHFSA-N 0 0 476.585 2.516 40 0 JFABRN CNC(=O)[C@@H]1CN(C(=O)c2cccc(Nc3cc(C)nc(C)n3)c2)CCN1Cc1ccccc1 ZINC000257257972 570125650 /nfs/dbraw/zinc/12/56/50/570125650.db2.gz KRVVTWPIMFVJLN-QHCPKHFHSA-N 0 0 458.566 2.910 40 0 JFABRN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1)C1CCOCC1 ZINC000257258596 570125805 /nfs/dbraw/zinc/12/58/05/570125805.db2.gz KUSDEDAFONMSFF-NGSHPTGOSA-N 0 0 454.542 2.676 40 0 JFABRN Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccccc2NC(=O)CN2CCOCC2)n1 ZINC000257259878 570126249 /nfs/dbraw/zinc/12/62/49/570126249.db2.gz LALFICVVBKOKTQ-HSZRJFAPSA-N 0 0 474.565 2.824 40 0 JFABRN CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cncs3)CC[C@@H]2Oc2ccc(Cl)cc2)CC1 ZINC000257259728 570126310 /nfs/dbraw/zinc/12/63/10/570126310.db2.gz KZRYGPLMXQSOEB-LPHOPBHVSA-N 0 0 463.003 2.870 40 0 JFABRN COc1cccc(C(=O)N2CC[C@H](Cc3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C)CC4)n3)C2)c1 ZINC000257264948 570127950 /nfs/dbraw/zinc/12/79/50/570127950.db2.gz LWQFZEQJPQBMDI-LJQANCHMSA-N 0 0 490.612 2.717 40 0 JFABRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(I)c1O ZINC000409100245 570128174 /nfs/dbraw/zinc/12/81/74/570128174.db2.gz URSFAJQEXWAHAH-LQGZHCLWSA-N 0 0 477.276 2.993 40 0 JFABRN CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CCCn1cnc2ccccc2c1=O ZINC000257274502 570131017 /nfs/dbraw/zinc/13/10/17/570131017.db2.gz NLIWEBZYMFHJBT-HHHXNRCGSA-N 0 0 486.576 2.610 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1cccs1 ZINC000409109557 570131565 /nfs/dbraw/zinc/13/15/65/570131565.db2.gz HERUQFHJECSKOV-FXBHHXAOSA-N 0 0 485.974 2.836 40 0 JFABRN CC(C)(NC(=O)Cc1cccc(F)c1)C(=O)N1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257277482 570131912 /nfs/dbraw/zinc/13/19/12/570131912.db2.gz NYDHHMZIOBLHOV-IBGZPJMESA-N 0 0 452.530 2.628 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(CC3CCN(C(=O)C4CCCC4)CC3)n2)n[nH]1 ZINC000257278562 570132348 /nfs/dbraw/zinc/13/23/48/570132348.db2.gz OCTDMKHNQIKBFD-UHFFFAOYSA-N 0 0 466.634 2.975 40 0 JFABRN O=C(c1ccccc1OCCN1CCCC1=O)N1CCOC[C@H](Cc2cccn3nccc23)C1 ZINC000257283673 570133671 /nfs/dbraw/zinc/13/36/71/570133671.db2.gz OZHZGCYXSYVLQC-HXUWFJFHSA-N 0 0 462.550 2.667 40 0 JFABRN COc1ccccc1Cc1ccc(C(=O)N2CCC[C@@H](Cc3cc(C(N)=O)nc(C)n3)C2)cn1 ZINC000257283871 570133806 /nfs/dbraw/zinc/13/38/06/570133806.db2.gz PAFVHXCQNHHAQN-SFHVURJKSA-N 0 0 459.550 2.973 40 0 JFABRN COCCCNC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000409122230 570136216 /nfs/dbraw/zinc/13/62/16/570136216.db2.gz ZGLLCEPEQSCBOT-UHFFFAOYSA-N 0 0 488.347 2.639 40 0 JFABRN CN1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)CC3(O)CCCCC3)CC2)CC1 ZINC000257292800 570136438 /nfs/dbraw/zinc/13/64/38/570136438.db2.gz QMZMCKNQKWBPKQ-UHFFFAOYSA-N 0 0 471.642 2.924 40 0 JFABRN NC(=O)c1ccc2c(ccn2[C@@H]2CN(C(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)C[C@H]2O)c1 ZINC000257293729 570136668 /nfs/dbraw/zinc/13/66/68/570136668.db2.gz QQXLLWQKOHAVBB-QZTJIDSGSA-N 0 0 457.412 2.693 40 0 JFABRN CN(c1cccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1)S(C)(=O)=O ZINC000409124236 570137124 /nfs/dbraw/zinc/13/71/24/570137124.db2.gz AFKGTEJJCMXHOC-UHFFFAOYSA-N 0 0 480.395 2.794 40 0 JFABRN Cc1cncc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)c1 ZINC000257300973 570138789 /nfs/dbraw/zinc/13/87/89/570138789.db2.gz RWKZPFVEIXYYFO-XMMPIXPASA-N 0 0 459.974 2.942 40 0 JFABRN CC(=O)Nc1ccc(OCC(=O)NCC[C@@]23CCCC[C@@H]2c2c([nH]c(=O)[nH]c2=O)O3)cc1C ZINC000257301301 570138890 /nfs/dbraw/zinc/13/88/90/570138890.db2.gz RXWLGPQRSWIXQE-MWTRTKDXSA-N 0 0 456.499 2.529 40 0 JFABRN Cc1cncc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)c1 ZINC000257304825 570139910 /nfs/dbraw/zinc/13/99/10/570139910.db2.gz SNHLGCRPTHXEMS-VWLOTQADSA-N 0 0 473.017 2.858 40 0 JFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)n1 ZINC000257305694 570140080 /nfs/dbraw/zinc/14/00/80/570140080.db2.gz SRBRPZRHAQVNRM-INIZCTEOSA-N 0 0 468.945 2.532 40 0 JFABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1 ZINC000409132203 570140658 /nfs/dbraw/zinc/14/06/58/570140658.db2.gz PBGHCIYIALMEER-AWEZNQCLSA-N 0 0 460.328 2.922 40 0 JFABRN CCCn1cc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)cn1 ZINC000257309590 570141331 /nfs/dbraw/zinc/14/13/31/570141331.db2.gz UBMQUTFSELRRKV-RUZDIDTESA-N 0 0 490.048 2.761 40 0 JFABRN COc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C(N)=O)cc1NCc1ccncc1 ZINC000257311985 570142139 /nfs/dbraw/zinc/14/21/39/570142139.db2.gz ULXCXMMIAABLHZ-QHCPKHFHSA-N 0 0 459.550 2.514 40 0 JFABRN NC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)cc3Cl)cc2)C1 ZINC000409136266 570142346 /nfs/dbraw/zinc/14/23/46/570142346.db2.gz SXJSUDNKLGWVTC-LLVKDONJSA-N 0 0 466.719 2.958 40 0 JFABRN CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3cccnc3)CCO2)CC1 ZINC000257315556 570143184 /nfs/dbraw/zinc/14/31/84/570143184.db2.gz VBXLEWQBJNRRTG-XMMPIXPASA-N 0 0 458.990 2.549 40 0 JFABRN CN(C(=O)COc1cccnc1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257319401 570144291 /nfs/dbraw/zinc/14/42/91/570144291.db2.gz VSHLAOIPLYBZKU-ZDOFJRLWSA-N 0 0 454.567 2.916 40 0 JFABRN O=C(CCCn1c2ccccc2nc1C(F)(F)F)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1 ZINC000257319504 570144425 /nfs/dbraw/zinc/14/44/25/570144425.db2.gz VSVQMUDYJSHYHW-HNAYVOBHSA-N 0 0 472.471 2.940 40 0 JFABRN CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)C3(c4ccc(OC)cc4)CCOCC3)CC2)n1 ZINC000257320457 570144531 /nfs/dbraw/zinc/14/45/31/570144531.db2.gz VWXJYQIKBJHKHG-UHFFFAOYSA-N 0 0 466.582 2.782 40 0 JFABRN CN1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)C3CCOCC3)CC2)CC1 ZINC000257329043 570147229 /nfs/dbraw/zinc/14/72/29/570147229.db2.gz XIDFVDRJOZCZOW-UHFFFAOYSA-N 0 0 478.033 2.918 40 0 JFABRN Cc1cc(C(=O)N2CCOC[C@@]3(CN(c4ccc(F)cc4)C(=O)O3)C2)nc(N2CCCCC2)n1 ZINC000257336982 570149574 /nfs/dbraw/zinc/14/95/74/570149574.db2.gz YQXFZDAJLSSEBA-DEOSSOPVSA-N 0 0 469.517 2.782 40 0 JFABRN CC(=O)NCCCCCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCC(F)(F)CC1 ZINC000257341817 570150790 /nfs/dbraw/zinc/15/07/90/570150790.db2.gz ZMCATFNOXVJJNN-SQMBMXPBSA-N 0 0 485.547 2.619 40 0 JFABRN Cc1cc(NC(=O)CN2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)n(C)n3)C2)nn1C ZINC000257341736 570150892 /nfs/dbraw/zinc/15/08/92/570150892.db2.gz ZLTMRPLBHQHFAD-NRFANRHFSA-N 0 0 472.977 2.749 40 0 JFABRN CC(=O)NC1(CC(=O)N2CCO[C@@H](c3cc(Nc4cc(C)[nH]n4)nc(C)n3)C2)CCCCC1 ZINC000257342745 570151123 /nfs/dbraw/zinc/15/11/23/570151123.db2.gz ZPZRRQRGMIQJBJ-LJQANCHMSA-N 0 0 455.563 2.689 40 0 JFABRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)NCc3ccccc3)n2C)cc1 ZINC000409158117 570151172 /nfs/dbraw/zinc/15/11/72/570151172.db2.gz NSJNIRBPPDKJQX-QGZVFWFLSA-N 0 0 467.595 2.870 40 0 JFABRN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1OC ZINC000409161890 570152240 /nfs/dbraw/zinc/15/22/40/570152240.db2.gz ZXCYPOWTPRZAKT-UHFFFAOYSA-N 0 0 469.567 2.905 40 0 JFABRN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCS/C2=C\c2nc(-c3ccccc3F)no2)C1 ZINC000260658801 570154677 /nfs/dbraw/zinc/15/46/77/570154677.db2.gz NPIDCKPNAMKIAR-QCUKBLKESA-N 0 0 466.560 2.811 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260704499 570154707 /nfs/dbraw/zinc/15/47/07/570154707.db2.gz AVQSDBVPNJXOAM-QGZVFWFLSA-N 0 0 479.574 2.542 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260710544 570154915 /nfs/dbraw/zinc/15/49/15/570154915.db2.gz CVNKTQSITHQNCN-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260720082 570155084 /nfs/dbraw/zinc/15/50/84/570155084.db2.gz GGTJEDDVRMIJKD-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)NCc2ccco2)c2ccccc2)cc1 ZINC000260722387 570155222 /nfs/dbraw/zinc/15/52/22/570155222.db2.gz OCUIWVSTDKAFBN-DEOSSOPVSA-N 0 0 499.589 2.566 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C ZINC000260730474 570155456 /nfs/dbraw/zinc/15/54/56/570155456.db2.gz JKFGZIUNDQWZFJ-LJQANCHMSA-N 0 0 492.617 2.689 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000260743305 570156034 /nfs/dbraw/zinc/15/60/34/570156034.db2.gz OPPZHSONJGKMKY-SFHVURJKSA-N 0 0 492.594 2.780 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260754923 570156699 /nfs/dbraw/zinc/15/66/99/570156699.db2.gz RJMWWNRMSXUKCB-HXUWFJFHSA-N 0 0 489.638 2.754 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1OC ZINC000260764746 570157209 /nfs/dbraw/zinc/15/72/09/570157209.db2.gz LYPJMDJTZFJQAN-LLVKDONJSA-N 0 0 460.603 2.849 40 0 JFABRN C[C@H](C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260762142 570157000 /nfs/dbraw/zinc/15/70/00/570157000.db2.gz GSUYXAVOXZKZFW-GDBMZVCRSA-N 0 0 481.521 2.667 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 ZINC000260774538 570157833 /nfs/dbraw/zinc/15/78/33/570157833.db2.gz XQTRJTJRWKIVSW-QGZVFWFLSA-N 0 0 479.574 2.542 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260774553 570157878 /nfs/dbraw/zinc/15/78/78/570157878.db2.gz XSANDNZBQNNIBB-LJQANCHMSA-N 0 0 489.638 2.966 40 0 JFABRN CC(=O)Oc1ccc(C(=O)COC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000409178236 570157935 /nfs/dbraw/zinc/15/79/35/570157935.db2.gz FUQBBZVJKFNKDI-UHFFFAOYSA-N 0 0 450.230 2.941 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 ZINC000260813176 570159096 /nfs/dbraw/zinc/15/90/96/570159096.db2.gz QDLLPURXWHHFTN-CABCVRRESA-N 0 0 466.556 2.753 40 0 JFABRN COc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000260821612 570159258 /nfs/dbraw/zinc/15/92/58/570159258.db2.gz YJOFKSWSDPBXKE-LJQANCHMSA-N 0 0 489.638 2.956 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21)Cc1ccccc1 ZINC000260830822 570159521 /nfs/dbraw/zinc/15/95/21/570159521.db2.gz SSMGQWXGFMLNPF-XMMPIXPASA-N 0 0 493.585 2.559 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260844494 570160472 /nfs/dbraw/zinc/16/04/72/570160472.db2.gz BUBLCHZCKWGPDH-GOSISDBHSA-N 0 0 463.575 2.697 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC)S(C)(=O)=O ZINC000260858280 570161035 /nfs/dbraw/zinc/16/10/35/570161035.db2.gz MSXZNFBHTJVWAE-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](CC)C(=O)NC)S(C)(=O)=O ZINC000260863249 570161112 /nfs/dbraw/zinc/16/11/12/570161112.db2.gz YKTRTSWCBRMDOY-HXUWFJFHSA-N 0 0 475.611 2.713 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](CC)C(=O)NC)S(C)(=O)=O ZINC000260863063 570161124 /nfs/dbraw/zinc/16/11/24/570161124.db2.gz VFHVVHUHGYEMCU-HXUWFJFHSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000260863275 570161146 /nfs/dbraw/zinc/16/11/46/570161146.db2.gz BOFWJQQSLCRUFM-MOPGFXCFSA-N 0 0 475.611 2.793 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](CC)C(=O)NC)S(C)(=O)=O ZINC000260860643 570161162 /nfs/dbraw/zinc/16/11/62/570161162.db2.gz OUTYXZCKXBOSQN-OAQYLSRUSA-N 0 0 475.611 2.577 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260875599 570161367 /nfs/dbraw/zinc/16/13/67/570161367.db2.gz GRYHUMBYNOQUPH-LJQANCHMSA-N 0 0 475.611 2.651 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260887707 570161603 /nfs/dbraw/zinc/16/16/03/570161603.db2.gz KFBNHESNRMRTCL-GOSISDBHSA-N 0 0 493.601 2.790 40 0 JFABRN CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000260888410 570161717 /nfs/dbraw/zinc/16/17/17/570161717.db2.gz AQAGGMRHDDFDPW-WMLDXEAASA-N 0 0 456.923 2.980 40 0 JFABRN CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000260890315 570161832 /nfs/dbraw/zinc/16/18/32/570161832.db2.gz BVSYVZBRJKVJAB-HOTGVXAUSA-N 0 0 468.959 2.849 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000260890866 570161923 /nfs/dbraw/zinc/16/19/23/570161923.db2.gz LRCQMHDEZKXQGP-LJQANCHMSA-N 0 0 475.611 2.651 40 0 JFABRN COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000260890438 570161994 /nfs/dbraw/zinc/16/19/94/570161994.db2.gz DDUGFKSNLIBHCH-IRXDYDNUSA-N 0 0 450.532 2.819 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1OC ZINC000260892560 570162055 /nfs/dbraw/zinc/16/20/55/570162055.db2.gz ZTOFLQJCDXTAMA-QGZVFWFLSA-N 0 0 450.557 2.670 40 0 JFABRN CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(C)C2=O)cc1Br ZINC000409191433 570162133 /nfs/dbraw/zinc/16/21/33/570162133.db2.gz HHBQQEBUQDFZMP-IZZDOVSWSA-N 0 0 462.094 2.676 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3CN3CCCC3=O)C2)cc1 ZINC000260899534 570162552 /nfs/dbraw/zinc/16/25/52/570162552.db2.gz LTSBAAWWQJHYNL-QFIPXVFZSA-N 0 0 469.607 2.835 40 0 JFABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(N3CCOCC3)cc1)O2 ZINC000260899995 570162638 /nfs/dbraw/zinc/16/26/38/570162638.db2.gz RILDCEUKHCFEFM-JOCHJYFZSA-N 0 0 473.595 2.986 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260901137 570162647 /nfs/dbraw/zinc/16/26/47/570162647.db2.gz ABCHFGGVIYPAHM-GOSISDBHSA-N 0 0 493.601 2.790 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000260901830 570162812 /nfs/dbraw/zinc/16/28/12/570162812.db2.gz OKPZBFZEBLCFON-LEWJYISDSA-N 0 0 458.580 2.617 40 0 JFABRN CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000260903532 570162874 /nfs/dbraw/zinc/16/28/74/570162874.db2.gz PGKGBEWVJSZWTM-RDJZCZTQSA-N 0 0 468.959 2.849 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000260905631 570162981 /nfs/dbraw/zinc/16/29/81/570162981.db2.gz OZOYNQRHHUQWNX-UXHICEINSA-N 0 0 459.612 2.948 40 0 JFABRN Cc1cc(C)cc(N([C@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000260903957 570162993 /nfs/dbraw/zinc/16/29/93/570162993.db2.gz YRPSFXPVHRHTIK-HXUWFJFHSA-N 0 0 459.612 2.607 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)C2)cc1 ZINC000260903824 570162998 /nfs/dbraw/zinc/16/29/98/570162998.db2.gz QLCPMPLHNUDHIX-VQTJNVASSA-N 0 0 485.606 2.943 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000260910074 570163289 /nfs/dbraw/zinc/16/32/89/570163289.db2.gz WOFUHYFLIIHEOX-HKUYNNGSSA-N 0 0 464.971 2.838 40 0 JFABRN COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000409197478 570164012 /nfs/dbraw/zinc/16/40/12/570164012.db2.gz GLJKHMPQOYTQSM-VCHYOVAHSA-N 0 0 454.460 2.919 40 0 JFABRN CCOc1ccc(N([C@@H](CC)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000260937197 570165380 /nfs/dbraw/zinc/16/53/80/570165380.db2.gz PNLXVINUXSCWEP-IERDGZPVSA-N 0 0 482.624 2.911 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000260938923 570165425 /nfs/dbraw/zinc/16/54/25/570165425.db2.gz ZKHDXYBHNNGKNC-OALUTQOASA-N 0 0 487.622 2.987 40 0 JFABRN Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1C ZINC000260943074 570165757 /nfs/dbraw/zinc/16/57/57/570165757.db2.gz SZBBVOGHNQKWFD-DLBZAZTESA-N 0 0 452.598 2.739 40 0 JFABRN Cc1ccc(C)c(N([C@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000260949448 570166039 /nfs/dbraw/zinc/16/60/39/570166039.db2.gz XEVLSRDVKOYCBE-DLBZAZTESA-N 0 0 452.598 2.739 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000260994483 570166559 /nfs/dbraw/zinc/16/65/59/570166559.db2.gz DDMIEZOIGRAVNJ-QGZVFWFLSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000261004901 570166678 /nfs/dbraw/zinc/16/66/78/570166678.db2.gz FTSHXCJRNFFOMB-MSOLQXFVSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000261104423 570167196 /nfs/dbraw/zinc/16/71/96/570167196.db2.gz WVNMRKMGKOIYJY-MOPGFXCFSA-N 0 0 492.617 2.771 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000261104424 570167236 /nfs/dbraw/zinc/16/72/36/570167236.db2.gz WVNMRKMGKOIYJY-OALUTQOASA-N 0 0 492.617 2.771 40 0 JFABRN CCOC(=O)Cn1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc21 ZINC000409211993 570170408 /nfs/dbraw/zinc/17/04/08/570170408.db2.gz PLUPQNXRVXUFML-YBFXNURJSA-N 0 0 464.453 2.875 40 0 JFABRN O=C(CN1C(=O)SC(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)C1=O)c1ccccc1 ZINC000409225344 570175833 /nfs/dbraw/zinc/17/58/33/570175833.db2.gz OMJBDSFYNPZKPK-KGENOOAVSA-N 0 0 466.515 2.843 40 0 JFABRN CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2ccccn21 ZINC000306128317 570178210 /nfs/dbraw/zinc/17/82/10/570178210.db2.gz GWZGZQVSDGWFJU-NRFANRHFSA-N 0 0 474.565 2.751 40 0 JFABRN OCCCNc1nc(Nc2ccc(I)cc2F)cc(C(F)(F)F)n1 ZINC000329008979 570181520 /nfs/dbraw/zinc/18/15/20/570181520.db2.gz LTVYDNUYKOAHMT-UHFFFAOYSA-N 0 0 456.181 2.621 40 0 JFABRN CCCN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)OCC)c(OC)c2)C1=O ZINC000409244949 570183742 /nfs/dbraw/zinc/18/37/42/570183742.db2.gz LASSJNWTWYSPSB-MDWZMJQESA-N 0 0 488.278 2.544 40 0 JFABRN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1)c1cccc(I)c1 ZINC000408528088 570186670 /nfs/dbraw/zinc/18/66/70/570186670.db2.gz FDRULHLYZLVIRU-UHFFFAOYSA-N 0 0 464.263 2.962 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 ZINC000409264212 570188047 /nfs/dbraw/zinc/18/80/47/570188047.db2.gz PSRVLDRPAANVPC-UHFFFAOYSA-N 0 0 489.333 2.971 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2ccccc2OC)cc1 ZINC000409267600 570188732 /nfs/dbraw/zinc/18/87/32/570188732.db2.gz OLHHYKWOWZLURF-UHFFFAOYSA-N 0 0 450.557 2.830 40 0 JFABRN COC(=O)c1cccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1C ZINC000409267381 570188734 /nfs/dbraw/zinc/18/87/34/570188734.db2.gz UHPIGSIWWRCNHE-UHFFFAOYSA-N 0 0 455.330 2.949 40 0 JFABRN COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)C1=O ZINC000408548103 570194111 /nfs/dbraw/zinc/19/41/11/570194111.db2.gz DKSCRJRZNHYTGE-LZYBPNLTSA-N 0 0 491.859 2.571 40 0 JFABRN O=C(CNC(=O)C(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1 ZINC000408550181 570194896 /nfs/dbraw/zinc/19/48/96/570194896.db2.gz AYLLJKROWJSYIV-UHFFFAOYSA-N 0 0 455.106 2.905 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000408555945 570197084 /nfs/dbraw/zinc/19/70/84/570197084.db2.gz BJJRLDPTJPARJW-LJQANCHMSA-N 0 0 475.586 2.974 40 0 JFABRN CCOc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)c1ccccc1F ZINC000408556317 570197447 /nfs/dbraw/zinc/19/74/47/570197447.db2.gz HPJPLJCTZORRJA-UHFFFAOYSA-N 0 0 493.538 2.925 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)c1ccc(C)cc1 ZINC000408557146 570198032 /nfs/dbraw/zinc/19/80/32/570198032.db2.gz LIKLJKLZVJHRMP-UHFFFAOYSA-N 0 0 475.548 2.704 40 0 JFABRN CCOc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)c1ccccc1 ZINC000408558783 570199315 /nfs/dbraw/zinc/19/93/15/570199315.db2.gz TUIHORPNTHOKKB-UHFFFAOYSA-N 0 0 475.548 2.786 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000408559838 570199996 /nfs/dbraw/zinc/19/99/96/570199996.db2.gz ZIWIUVJPGBVJGI-UHFFFAOYSA-N 0 0 466.003 2.752 40 0 JFABRN COCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408560474 570200460 /nfs/dbraw/zinc/20/04/60/570200460.db2.gz PDZRTJSQMIGRDU-UHFFFAOYSA-N 0 0 457.346 2.781 40 0 JFABRN Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000409317731 570200576 /nfs/dbraw/zinc/20/05/76/570200576.db2.gz ROTNIXIYHVBEDT-UHFFFAOYSA-N 0 0 465.959 2.526 40 0 JFABRN COc1ccccc1N(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000409319131 570200760 /nfs/dbraw/zinc/20/07/60/570200760.db2.gz AOHRXTDHAIJANO-UHFFFAOYSA-N 0 0 454.504 2.936 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408562094 570201525 /nfs/dbraw/zinc/20/15/25/570201525.db2.gz XTKSAYVLJWBFMS-UHFFFAOYSA-N 0 0 465.959 2.877 40 0 JFABRN O=C(COc1ccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)cc1)Nc1ccc(F)cc1 ZINC000408576402 570205901 /nfs/dbraw/zinc/20/59/01/570205901.db2.gz GXLCCSFLPGEMKK-GOSISDBHSA-N 0 0 479.512 2.599 40 0 JFABRN CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCN3CCOCC3)CC2=O)cc1 ZINC000408576899 570206008 /nfs/dbraw/zinc/20/60/08/570206008.db2.gz HDSVWCWQDKFVRW-HXUWFJFHSA-N 0 0 494.592 2.527 40 0 JFABRN C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000408578041 570206264 /nfs/dbraw/zinc/20/62/64/570206264.db2.gz KBLVRFHKNAOXSZ-KGLIPLIRSA-N 0 0 480.348 2.861 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408584935 570207776 /nfs/dbraw/zinc/20/77/76/570207776.db2.gz WTTXTASRTWEZQQ-OAHLLOKOSA-N 0 0 464.540 2.966 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc(C(=O)OC)c1 ZINC000408584975 570207815 /nfs/dbraw/zinc/20/78/15/570207815.db2.gz XHVSGLAIRIVOTR-SNVBAGLBSA-N 0 0 489.333 2.872 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)N1CCOCC1 ZINC000408586259 570208125 /nfs/dbraw/zinc/20/81/25/570208125.db2.gz AWBXCRWCWXNUBC-UHFFFAOYSA-N 0 0 450.944 2.719 40 0 JFABRN COCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000408587607 570208409 /nfs/dbraw/zinc/20/84/09/570208409.db2.gz BQEGNDRKNBEZDP-UHFFFAOYSA-N 0 0 460.474 2.980 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1Cl ZINC000408588162 570208527 /nfs/dbraw/zinc/20/85/27/570208527.db2.gz CSRMTASPNORGRY-GFCCVEGCSA-N 0 0 498.941 2.617 40 0 JFABRN CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1 ZINC000408589242 570208788 /nfs/dbraw/zinc/20/87/88/570208788.db2.gz FBMBNJCBAGNFDJ-UHFFFAOYSA-N 0 0 452.916 2.581 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)CC1 ZINC000408590622 570209037 /nfs/dbraw/zinc/20/90/37/570209037.db2.gz KARLQYNFFOPIJO-MRXNPFEDSA-N 0 0 472.991 2.551 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)cc1Cl ZINC000408592245 570209411 /nfs/dbraw/zinc/20/94/11/570209411.db2.gz KUZRQSYJRQNXPU-UHFFFAOYSA-N 0 0 478.958 2.931 40 0 JFABRN CCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408592333 570209438 /nfs/dbraw/zinc/20/94/38/570209438.db2.gz JYOMVHRWODDUIH-UHFFFAOYSA-N 0 0 482.002 2.992 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000408593175 570209691 /nfs/dbraw/zinc/20/96/91/570209691.db2.gz PJMSQYPUFMBDCE-UHFFFAOYSA-N 0 0 466.943 2.794 40 0 JFABRN COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408593299 570209712 /nfs/dbraw/zinc/20/97/12/570209712.db2.gz MHGAJTNFKGDXSU-UHFFFAOYSA-N 0 0 467.975 2.602 40 0 JFABRN COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccc(OC)c(OC)c3)[C@H](O)[C@H]2[C@@H]1C ZINC000030883821 291485423 /nfs/dbraw/zinc/48/54/23/291485423.db2.gz CQDKDTUUTFVPEQ-NHSZCXJYSA-N 0 0 490.641 2.911 40 0 biogenic,in-vitro JFABRN COc1c2c(c(C)c3c1C[C@H]1[C@@](C)(C[C@]4(O)OC[C@]5(C)O[C@@]6(OC)CC[C@]1(C)[C@]54O6)O3)COC2=O ZINC000253389130 291486250 /nfs/dbraw/zinc/48/62/50/291486250.db2.gz UEVWVMGTABEFID-CRKMLOTMSA-N 0 0 488.533 2.751 40 0 biogenic,in-vitro JFABRN COc1ccc(-c2nnn(CC(=O)N([C@@H](C)C(=O)NC3CCCC3)C3CCCCC3)n2)cc1OC ZINC000000885926 193948553 /nfs/dbraw/zinc/94/85/53/193948553.db2.gz LWEYITSKHCPNSX-KRWDZBQOSA-N 0 0 484.601 2.966 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)C3CCCCC3)n2)cc1OC ZINC000000903601 193958480 /nfs/dbraw/zinc/95/84/80/193958480.db2.gz VFNXOUUDCOSSON-UHFFFAOYSA-N 0 0 484.601 2.968 40 0 JFABRN O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1 ZINC000000903653 193958544 /nfs/dbraw/zinc/95/85/44/193958544.db2.gz HVSWWWGNXWJOSF-UHFFFAOYSA-N 0 0 494.527 2.686 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2CC)cc1 ZINC000000920675 193971684 /nfs/dbraw/zinc/97/16/84/193971684.db2.gz RZWZUITVAUFSML-UHFFFAOYSA-N 0 0 477.612 2.997 40 0 JFABRN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C ZINC000000931293 193983314 /nfs/dbraw/zinc/98/33/14/193983314.db2.gz CWPCRBGSJDTCMG-MRXNPFEDSA-N 0 0 463.629 2.760 40 0 JFABRN COc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1OC ZINC000000934212 193985040 /nfs/dbraw/zinc/98/50/40/193985040.db2.gz SZIVLLGDZLCPFQ-UHFFFAOYSA-N 0 0 469.523 2.972 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001222703 194074683 /nfs/dbraw/zinc/07/46/83/194074683.db2.gz CQLOXCZDKRJQRW-UHFFFAOYSA-N 0 0 490.564 2.906 40 0 JFABRN CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)N4CCN(C(=O)c5ccco5)CC4)c(=O)c32)C1 ZINC000001331984 194090261 /nfs/dbraw/zinc/09/02/61/194090261.db2.gz ZGCPVKYZIWSZPM-OAHLLOKOSA-N 0 0 483.594 2.582 40 0 JFABRN COc1ccccc1C(=O)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)CC1 ZINC000001324817 194085872 /nfs/dbraw/zinc/08/58/72/194085872.db2.gz QVZXSECLKNMJMR-UHFFFAOYSA-N 0 0 462.485 2.730 40 0 JFABRN COc1ccc([C@@H](NS(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)c2ccccc2)cc1 ZINC000001325490 194086556 /nfs/dbraw/zinc/08/65/56/194086556.db2.gz ZJFKSPCBWCMPIP-QFIPXVFZSA-N 0 0 451.508 2.747 40 0 JFABRN COc1ccc2cc(CN(C[C@@H]3COCCO3)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2c1 ZINC000001335386 194094110 /nfs/dbraw/zinc/09/41/10/194094110.db2.gz HDFRWQGXMRPGIG-GOSISDBHSA-N 0 0 478.954 2.796 40 0 JFABRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2OCCc3ccccc32)cc1 ZINC000001351075 194099379 /nfs/dbraw/zinc/09/93/79/194099379.db2.gz DGSGBNHKMZXCHL-VGOFRKELSA-N 0 0 464.609 2.842 40 0 JFABRN O=C(CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1 ZINC000001333439 194092020 /nfs/dbraw/zinc/09/20/20/194092020.db2.gz UTDQMVLKCWUOAR-UHFFFAOYSA-N 0 0 477.608 2.653 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCC1)C[C@H]1CCCO1)OCO3 ZINC000001375714 194110469 /nfs/dbraw/zinc/11/04/69/194110469.db2.gz DPIVWUKGBNLHEE-GOSISDBHSA-N 0 0 452.515 2.540 40 0 JFABRN O=S(=O)(c1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)cc1)N1CCCCC1 ZINC000001380571 194113150 /nfs/dbraw/zinc/11/31/50/194113150.db2.gz HBUGZEJSYGSVDF-UHFFFAOYSA-N 0 0 489.623 2.632 40 0 JFABRN Cc1nc2ccc(S(=O)(=O)Nc3ccccc3)cc2c(=O)n1NC(=O)CNc1ccccc1 ZINC000001651069 194130521 /nfs/dbraw/zinc/13/05/21/194130521.db2.gz YHYFNAIRYLYWBC-UHFFFAOYSA-N 0 0 463.519 2.688 40 0 JFABRN CC(C)NS(=O)(=O)c1ccc(OCCOc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000001664667 194130780 /nfs/dbraw/zinc/13/07/80/194130780.db2.gz YDYJPQPIBGHLIZ-UHFFFAOYSA-N 0 0 456.586 2.518 40 0 JFABRN CCOC(=O)C1=C2c3ccccc3N[C@H]2N(C(=O)OCC)N(C(=O)OCC)[C@@H]1C(=O)OCC ZINC000001709036 194131844 /nfs/dbraw/zinc/13/18/44/194131844.db2.gz UYHFUNJCLNLAEO-ROUUACIJSA-N 0 0 461.471 2.532 40 0 JFABRN O=C(Nc1ccc(I)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003071858 194224034 /nfs/dbraw/zinc/22/40/34/194224034.db2.gz HIAWUEBRSXPGGJ-UHFFFAOYSA-N 0 0 472.304 2.564 40 0 JFABRN COc1cc(SC)ccc1C(=O)N[C@H]1CCN2C(=O)[C@H](CC3CCCCC3)NC(=O)[C@@H]2C1 ZINC000003841208 194363183 /nfs/dbraw/zinc/36/31/83/194363183.db2.gz WFDUEFBJGKFAKH-VDGAXYAQSA-N 0 0 459.612 2.975 40 0 biogenic,in-vitro JFABRN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000004083209 194376348 /nfs/dbraw/zinc/37/63/48/194376348.db2.gz HHFCVINVSYBKBF-UHFFFAOYSA-N 0 0 471.579 2.733 40 0 JFABRN O=C(Nc1ccccc1F)[C@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N(c1cccnc1)[C@@H]3C(=O)NC1CCCCC1 ZINC000004093087 194377112 /nfs/dbraw/zinc/37/71/12/194377112.db2.gz QPDUKYBTNFQFEO-PUJHRNRVSA-N 0 0 490.535 2.963 40 0 JFABRN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(Cn2nnc3ccccc32)n1C ZINC000004400597 194389144 /nfs/dbraw/zinc/38/91/44/194389144.db2.gz ZEFXHVYJLQVTKE-UHFFFAOYSA-N 0 0 471.568 2.804 40 0 JFABRN CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1cc(Br)ccc1OC ZINC000004197370 194384012 /nfs/dbraw/zinc/38/40/12/194384012.db2.gz UEFCRCRJRYXOGX-YZLZLFLDSA-N 0 0 457.317 2.624 40 0 JFABRN Cc1ccc2cc(N(CC(=O)NCc3ccc(F)cc3)C(=O)c3snc(C(N)=O)c3N)ccc2n1 ZINC000006442066 194426227 /nfs/dbraw/zinc/42/62/27/194426227.db2.gz XITGPJIAAKGIKL-UHFFFAOYSA-N 0 0 492.536 2.783 40 0 JFABRN CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(F)cc1 ZINC000006600131 194432603 /nfs/dbraw/zinc/43/26/03/194432603.db2.gz ZWBRCNYEXVKPET-LJQANCHMSA-N 0 0 493.605 2.736 40 0 JFABRN NC(=O)C1CCN(C(=O)CSc2nc3ccccc3c3nc(-c4ccc(F)cc4)nn32)CC1 ZINC000009939909 195028927 /nfs/dbraw/zinc/02/89/27/195028927.db2.gz LRMXDQZWZZIBSD-UHFFFAOYSA-N 0 0 464.526 2.900 40 0 JFABRN COc1cc([C@@H]2[C@@H](C(=O)OCC(C)C)[C@](C)(O)CC(=O)[C@H]2C(=O)OCC(C)C)ccc1O ZINC000012661322 195081084 /nfs/dbraw/zinc/08/10/84/195081084.db2.gz FJZKABHJGTZDRK-SEDAZVQISA-N 0 0 450.528 2.839 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1F ZINC000012708927 195093860 /nfs/dbraw/zinc/09/38/60/195093860.db2.gz MJSKOPZZJSOIHF-YHOYWCJOSA-N 0 0 479.549 2.988 40 0 JFABRN Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)c1 ZINC000012709240 195094073 /nfs/dbraw/zinc/09/40/73/195094073.db2.gz UFMKHGUWECUWEJ-XIFFEERXSA-N 0 0 473.570 2.913 40 0 JFABRN Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000012709257 195094079 /nfs/dbraw/zinc/09/40/79/195094079.db2.gz ROVCMCRXEORIKI-XIFFEERXSA-N 0 0 473.570 2.913 40 0 JFABRN NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1N ZINC000012710967 195095112 /nfs/dbraw/zinc/09/51/12/195095112.db2.gz KOUYXCOTMYSKSY-KRWDZBQOSA-N 0 0 473.580 2.921 40 0 JFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1 ZINC000012711232 195095200 /nfs/dbraw/zinc/09/52/00/195095200.db2.gz KBDDWHRCDNJBDA-KXBFYZLASA-N 0 0 499.618 2.877 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1 ZINC000012716299 195097167 /nfs/dbraw/zinc/09/71/67/195097167.db2.gz NSLWGBOVONDCQP-DYESRHJHSA-N 0 0 484.557 2.807 40 0 JFABRN COc1ccc([C@@H](C(=O)NCc2ccc3c(c2)OCO3)N(C(=O)c2csnn2)C2CC2)cc1 ZINC000012872996 195164403 /nfs/dbraw/zinc/16/44/03/195164403.db2.gz GSTVDYGYTGOBBZ-NRFANRHFSA-N 0 0 466.519 2.938 40 0 JFABRN O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)Nc1ccc(NC(=O)c2ccccn2)cc1 ZINC000012881511 195168759 /nfs/dbraw/zinc/16/87/59/195168759.db2.gz WEGPEFWOUBJPOX-UHFFFAOYSA-N 0 0 483.484 2.968 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OC)c(O)c1 ZINC000020801959 195227130 /nfs/dbraw/zinc/22/71/30/195227130.db2.gz OKGVVPBHHGBYLC-NHCUHLMSSA-N 0 0 453.495 2.902 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc(OC)c1OC ZINC000020802445 195227416 /nfs/dbraw/zinc/22/74/16/195227416.db2.gz URBMYRSNFSLSQT-UXHICEINSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000020802453 195227420 /nfs/dbraw/zinc/22/74/20/195227420.db2.gz KQFAEYZCVZTHMX-VQTJNVASSA-N 0 0 483.521 2.824 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000020802456 195227440 /nfs/dbraw/zinc/22/74/40/195227440.db2.gz KQFAEYZCVZTHMX-UXHICEINSA-N 0 0 483.521 2.824 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(OCC)c1 ZINC000020802101 195227476 /nfs/dbraw/zinc/22/74/76/195227476.db2.gz OVXJJMOCNKFMHC-LEWJYISDSA-N 0 0 453.495 2.902 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(OC)c(O)c1 ZINC000020801964 195227481 /nfs/dbraw/zinc/22/74/81/195227481.db2.gz OKGVVPBHHGBYLC-RTWAWAEBSA-N 0 0 453.495 2.902 40 0 JFABRN COc1cccc2c1cc1c(=O)n(CC(=O)N3CCN(c4cc(C)ccc4C)CC3)nc(C)n12 ZINC000020862781 195234013 /nfs/dbraw/zinc/23/40/13/195234013.db2.gz WRHGXJVJJWBBSY-UHFFFAOYSA-N 0 0 459.550 2.932 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000057530849 195350491 /nfs/dbraw/zinc/35/04/91/195350491.db2.gz MIAPGGGYASFRAP-HXUWFJFHSA-N 0 0 452.559 2.943 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cc3c(C)cc(C)cc3[nH]c2=O)N2CCC(O)CC2)cc1 ZINC000057589902 195351655 /nfs/dbraw/zinc/35/16/55/195351655.db2.gz YVSVHXBRBIOFNF-DEOSSOPVSA-N 0 0 474.565 2.734 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000057589913 195351871 /nfs/dbraw/zinc/35/18/71/195351871.db2.gz UUOMRKLIGCPSKJ-AUSIDOKSSA-N 0 0 494.596 2.675 40 0 JFABRN Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@@H]3CCCO3)Cc3ccc4c(c3)OCO4)cc2c1 ZINC000057606947 195352619 /nfs/dbraw/zinc/35/26/19/195352619.db2.gz ZMEQWQCQFLEBPH-NRFANRHFSA-N 0 0 488.548 2.933 40 0 JFABRN CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@@H]3CCCO3)Cc3cccnc3)cc2c1 ZINC000057607037 195352637 /nfs/dbraw/zinc/35/26/37/195352637.db2.gz NXQJNUMUHOQCCL-QFIPXVFZSA-N 0 0 459.554 2.853 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@@H]3CCCO3)Cc3cccnc3)cc2c1 ZINC000057607948 195353153 /nfs/dbraw/zinc/35/31/53/195353153.db2.gz AOLLWHGXWPTDEM-QFIPXVFZSA-N 0 0 475.553 2.690 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000057608078 195353372 /nfs/dbraw/zinc/35/33/72/195353372.db2.gz UTTHMCXDCMSVKC-HXUWFJFHSA-N 0 0 452.559 2.943 40 0 JFABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccc(F)cc3)cc12 ZINC000057640329 195353869 /nfs/dbraw/zinc/35/38/69/195353869.db2.gz VBGBTSIARHCPRJ-UHFFFAOYSA-N 0 0 450.518 2.703 40 0 JFABRN COc1cc2[nH]c(=O)c(CNc3ccc(N4CCN(C(C)=O)CC4)cc3)cc2c(OC)c1OC ZINC000057712533 195357771 /nfs/dbraw/zinc/35/77/71/195357771.db2.gz MCBFYVKZNUFBSF-UHFFFAOYSA-N 0 0 466.538 2.835 40 0 JFABRN Cc1nc(CN2[C@@]3(CCN(C(=O)Cc4cccnc4)C3)c3ccccc3S2(=O)=O)cs1 ZINC000096261968 130003324 /nfs/dbraw/zinc/00/33/24/130003324.db2.gz SLUVLQWVTOVKTA-JOCHJYFZSA-N 0 0 454.577 2.721 40 0 JFABRN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3cc(Br)ccc3N1[C@@H]2C(=O)C(C)(C)C ZINC000096318563 130063765 /nfs/dbraw/zinc/06/37/65/130063765.db2.gz PUVVJEGYMVFOQC-TVFCKZIOSA-N 0 0 461.356 2.896 40 0 JFABRN CC(=O)c1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(C)=O)c4)CO[C@H]23)cc1 ZINC000004222856 518374631 /nfs/dbraw/zinc/37/46/31/518374631.db2.gz XADYZZGLNXYYPF-DXBBTUNJSA-N 0 0 467.478 2.997 40 0 biogenic,in-vitro JFABRN CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)N1CCOCC1 ZINC000004222359 518592713 /nfs/dbraw/zinc/59/27/13/518592713.db2.gz IKIGFTDMXFLLOU-RVRKADHMSA-N 0 0 493.670 2.792 40 0 biogenic,in-vitro JFABRN CC(C)(C)NC(=O)CN(CCc1ccccc1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000012470496 518727951 /nfs/dbraw/zinc/72/79/51/518727951.db2.gz PZMOYFQJMFKCOZ-UHFFFAOYSA-N 0 0 454.962 2.980 40 0 JFABRN CC(C)(C)NC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1F ZINC000006074360 518728518 /nfs/dbraw/zinc/72/85/18/518728518.db2.gz KRLNGTYVPHDSEU-JGCGQSQUSA-N 0 0 465.522 2.600 40 0 JFABRN CC(C)(C)c1ccc(S(=O)(=O)N(CCO)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000012474327 519043207 /nfs/dbraw/zinc/04/32/07/519043207.db2.gz ZPOJNHOLYQJMSM-UHFFFAOYSA-N 0 0 458.536 2.738 40 0 JFABRN CC(C)Cn1c2nnc(SCC(=O)NC3CCCC3)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033256684 519490968 /nfs/dbraw/zinc/49/09/68/519490968.db2.gz DCEZABQYOOFMSH-UHFFFAOYSA-N 0 0 484.626 2.989 40 0 JFABRN CC(C)CCNC(=O)[C@H](C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000006134361 519659723 /nfs/dbraw/zinc/65/97/23/519659723.db2.gz CVUZLZKZLXBVKN-KRWDZBQOSA-N 0 0 496.543 2.834 40 0 JFABRN CC(C)NC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC(=O)NCc3ccco3)[C@H](O)CC[C@@H]2[C@]1(C)CO ZINC000004236613 519713453 /nfs/dbraw/zinc/71/34/53/519713453.db2.gz FLGHINKGWHAKOV-PRIYMHJNSA-N 0 0 450.576 2.975 40 0 biogenic,in-vitro JFABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038854436 519718442 /nfs/dbraw/zinc/71/84/42/519718442.db2.gz LKHHJZGGQVCFLR-GOSISDBHSA-N 0 0 451.932 2.644 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000013572311 519722956 /nfs/dbraw/zinc/72/29/56/519722956.db2.gz LRJLOLCCBRVZIL-JKSUJKDBSA-N 0 0 456.593 2.883 40 0 JFABRN CC(C)CNC(=O)CCn1c2nnc(SCC(=O)NC3CCCCC3)n2c2ccccc2c1=O ZINC000033292098 519733686 /nfs/dbraw/zinc/73/36/86/519733686.db2.gz PRORRDQMQCLAEZ-UHFFFAOYSA-N 0 0 484.626 2.748 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2cc(C(C)C)ccc2C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000016347760 519756311 /nfs/dbraw/zinc/75/63/11/519756311.db2.gz XPSRJIDOWVLUTQ-JTKSJCOOSA-N 0 0 480.510 2.580 40 0 JFABRN CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O[C@H](C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000036213523 519799367 /nfs/dbraw/zinc/79/93/67/519799367.db2.gz FRWLGKIXKPDFOZ-UMPJEAMMSA-N 0 0 495.425 2.864 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000016682415 520481359 /nfs/dbraw/zinc/48/13/59/520481359.db2.gz AFTJTDQYCCAJIH-NWKGEQBZSA-N 0 0 492.553 2.844 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000033406074 520484812 /nfs/dbraw/zinc/48/48/12/520484812.db2.gz YSTKHNZJKFENED-FNUHDPNESA-N 0 0 480.542 2.521 40 0 JFABRN CCCS(=O)(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)C1 ZINC000006161930 520521758 /nfs/dbraw/zinc/52/17/58/520521758.db2.gz HEDYLZYNYQLCCX-CQSZACIVSA-N 0 0 450.952 2.548 40 0 JFABRN CCCS(=O)(=O)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)CO[C@H]12 ZINC000004235563 520535938 /nfs/dbraw/zinc/53/59/38/520535938.db2.gz RNEWPMGZTCLLNA-DOIPELPJSA-N 0 0 462.524 2.892 40 0 biogenic,in-vitro JFABRN CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc(Cl)c2C)CC(=O)N3)CC1 ZINC000038828333 520588354 /nfs/dbraw/zinc/58/83/54/520588354.db2.gz MBPIJTKWXHRZQA-CQSZACIVSA-N 0 0 487.944 2.576 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000020486108 520803490 /nfs/dbraw/zinc/80/34/90/520803490.db2.gz AYKFKQIIOTZYGW-UHFFFAOYSA-N 0 0 479.624 2.895 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000044948976 520806448 /nfs/dbraw/zinc/80/64/48/520806448.db2.gz IPEWTOCTFXRPTK-UHFFFAOYSA-N 0 0 465.597 2.953 40 0 JFABRN CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C3 ZINC000019816657 520811693 /nfs/dbraw/zinc/81/16/93/520811693.db2.gz SZRXQAWWFZTNMP-LBPRGKRZSA-N 0 0 472.523 2.718 40 0 JFABRN CCOC(=O)Cc1csc(NC(=O)CSc2nnc(COc3ccccc3C)n2C)n1 ZINC000006547339 520910185 /nfs/dbraw/zinc/91/01/85/520910185.db2.gz JGRYTKMFTSFWAU-UHFFFAOYSA-N 0 0 461.569 2.995 40 0 JFABRN CCC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006501377 520977199 /nfs/dbraw/zinc/97/71/99/520977199.db2.gz TWWIDNZFVMYJSQ-QGZVFWFLSA-N 0 0 473.599 2.703 40 0 JFABRN CCOc1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1OCC ZINC000020244371 520983771 /nfs/dbraw/zinc/98/37/71/520983771.db2.gz SNFWDXBTHJSIGU-UHFFFAOYSA-N 0 0 453.536 2.552 40 0 JFABRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCOC)c2cccnc2)cc1 ZINC000013509328 521019713 /nfs/dbraw/zinc/01/97/13/521019713.db2.gz UPEHGVIWDGNZBZ-RUZDIDTESA-N 0 0 488.548 2.762 40 0 JFABRN CCOc1ccc([C@H](C(=O)NCCOC)N(C(=O)Cn2nnc3ccccc32)c2cccnc2)cc1 ZINC000013509218 521250370 /nfs/dbraw/zinc/25/03/70/521250370.db2.gz BLLZXIASPFSNMA-RUZDIDTESA-N 0 0 488.548 2.762 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@H](C)C3)cc2c1 ZINC000006196830 521283906 /nfs/dbraw/zinc/28/39/06/521283906.db2.gz MZGCCTQYOFRAMY-BPXKWBHBSA-N 0 0 452.559 2.914 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCC(C)CC3)cc2c1 ZINC000006196841 521283966 /nfs/dbraw/zinc/28/39/66/521283966.db2.gz KSBIMSZACOWICP-KNQAVFIVSA-N 0 0 452.559 2.914 40 0 JFABRN CCC[C@]1(C(=O)OC)N[C@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000012467274 521303764 /nfs/dbraw/zinc/30/37/64/521303764.db2.gz FRBXZKHVONDOQG-BOCITWAFSA-N 0 0 496.516 2.595 40 0 JFABRN CCC(C)(C)NC(=O)[C@H](C(C)C)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000013502897 521338743 /nfs/dbraw/zinc/33/87/43/521338743.db2.gz YZGAHIDGXFIXCC-UGKGYDQZSA-N 0 0 481.659 2.610 40 0 JFABRN CCOC(=O)c1cc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)ccc1Cl ZINC000022518517 521444009 /nfs/dbraw/zinc/44/40/09/521444009.db2.gz BXCLUSWPCAYUCJ-UHFFFAOYSA-N 0 0 466.943 2.931 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@H]3[C@H](C)C(=O)C[C@H](c5ccco5)N3C(=O)[C@@H]24)c1 ZINC000008764746 521542068 /nfs/dbraw/zinc/54/20/68/521542068.db2.gz NSUJNRIEBKWESB-CYVJUNSASA-N 0 0 490.512 2.896 40 0 JFABRN CCCn1c(=O)c2c(nc1N1CCN(C(=O)c3ccc(OCC)c(OCC)c3)CC1)c(C)nn2C ZINC000028557083 521615528 /nfs/dbraw/zinc/61/55/28/521615528.db2.gz NOFIGGYLYYXCTB-UHFFFAOYSA-N 0 0 482.585 2.608 40 0 JFABRN CCCn1c2nnc(SCC(=O)NC3CCCC3)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033256581 521641532 /nfs/dbraw/zinc/64/15/32/521641532.db2.gz DGFPIUFDSJKQSS-UHFFFAOYSA-N 0 0 470.599 2.743 40 0 JFABRN COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc(S(C)(=O)=O)cc2)n1 ZINC000035425043 521751692 /nfs/dbraw/zinc/75/16/92/521751692.db2.gz YNFIZHMOCXBHPH-IBGZPJMESA-N 0 0 458.540 2.897 40 0 biogenic,in-vitro JFABRN CC[C@H](C)[C@@H](NC(=O)[C@H]1N=C(c2csc([C@H](O)Cc3ccccc3)n2)O[C@H]1C)C(=O)OC ZINC000008652757 521850908 /nfs/dbraw/zinc/85/09/08/521850908.db2.gz YHXNIADCBNGDJB-JCTKKGROSA-N 0 0 459.568 2.657 40 0 JFABRN CC[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)N(c1ccccc1)S(C)(=O)=O ZINC000020460491 521863672 /nfs/dbraw/zinc/86/36/72/521863672.db2.gz PZHCPSPFLRBNQH-FQEVSTJZSA-N 0 0 495.623 2.663 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc(C(=O)OC)c1 ZINC000016188081 521880435 /nfs/dbraw/zinc/88/04/35/521880435.db2.gz APGAXOJMSUGAGR-UHFFFAOYSA-N 0 0 470.503 2.672 40 0 JFABRN COC(=O)c1cc2cc(NC(=O)CN(C)S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2s1 ZINC000020013087 521917370 /nfs/dbraw/zinc/91/73/70/521917370.db2.gz DNJWLEDQHODPPW-UHFFFAOYSA-N 0 0 478.548 2.964 40 0 JFABRN COCCn1nnnc1[C@H](c1cc(OC)ccc1OC)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013496408 522156897 /nfs/dbraw/zinc/15/68/97/522156897.db2.gz LYXIEOVZPMVAPN-QFIPXVFZSA-N 0 0 495.609 2.858 40 0 JFABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000044886510 522885512 /nfs/dbraw/zinc/88/55/12/522885512.db2.gz UBROKUYNVYDZAF-FQEVSTJZSA-N 0 0 464.540 2.521 40 0 JFABRN CC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000019500657 522982014 /nfs/dbraw/zinc/98/20/14/522982014.db2.gz VWWRJGPIUDZUMN-JOCHJYFZSA-N 0 0 454.600 2.682 40 0 JFABRN COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNS(=O)(=O)c4ccccc4)O3)no2)cc1 ZINC000077263291 523109793 /nfs/dbraw/zinc/10/97/93/523109793.db2.gz MHPSHJATLDGSFV-IEIRFRATSA-N 0 0 458.536 2.780 40 0 biogenic,in-vitro JFABRN CCn1c(=O)n(CC(=O)c2ccc(Br)cc2)c(=O)c2c3c(cnc21)C(=O)CCC3 ZINC000022610560 523110632 /nfs/dbraw/zinc/11/06/32/523110632.db2.gz NNYQFYJNURJCHM-UHFFFAOYSA-N 0 0 456.296 2.743 40 0 JFABRN COCc1nn2c(nnc3c2ccn(CCCN2CCOCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396227 523250280 /nfs/dbraw/zinc/25/02/80/523250280.db2.gz TZKLXFPQHHWEEL-UHFFFAOYSA-N 0 0 468.945 2.628 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)o2)cc1 ZINC000013374583 523255544 /nfs/dbraw/zinc/25/55/44/523255544.db2.gz QJFSTGRYZYCVLZ-GASCZTMLSA-N 0 0 472.523 2.795 40 0 JFABRN CCc1cc(CC)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Br)cc2)n1 ZINC000012518794 523786674 /nfs/dbraw/zinc/78/66/74/523786674.db2.gz SSMVOXMRAVRJMU-UHFFFAOYSA-N 0 0 457.332 2.545 40 0 JFABRN CO[C@@]12C[C@@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@@H]1[C@](C)(COC(C)=O)CCC[C@]31C ZINC000067912877 523818241 /nfs/dbraw/zinc/81/82/41/523818241.db2.gz HDDNZVWBRRAOGK-LICMSVOVSA-N 0 0 464.555 2.767 40 0 biogenic,in-vitro JFABRN COC(=O)[C@H](C(=O)C(=O)N[C@@H]1Nc2ccc(C)cc2S1)c1nc2ccc(Cl)cc2[nH]c1=O ZINC000017216035 523847148 /nfs/dbraw/zinc/84/71/48/523847148.db2.gz VIXLQFGANPCWNB-BTYIYWSLSA-N 0 0 472.910 2.741 40 0 JFABRN COc1ccc(CC(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CC[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000020463384 523895924 /nfs/dbraw/zinc/89/59/24/523895924.db2.gz GAMVAJCEMXKSOK-GOTSBHOMSA-N 0 0 480.609 2.784 40 0 biogenic,in-vitro JFABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC ZINC000013508347 523918107 /nfs/dbraw/zinc/91/81/07/523918107.db2.gz NDYNPXPSZBLLQE-DEOSSOPVSA-N 0 0 477.521 2.878 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013508390 523918732 /nfs/dbraw/zinc/91/87/32/523918732.db2.gz OJCBPHFBVZWKJD-QFIPXVFZSA-N 0 0 467.551 2.927 40 0 JFABRN COCCNC(=O)[C@H](c1ccco1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013508524 523919397 /nfs/dbraw/zinc/91/93/97/523919397.db2.gz QGHSNINYZMPJOP-NRFANRHFSA-N 0 0 453.524 2.619 40 0 JFABRN COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(C)=O)c1 ZINC000013508561 523919568 /nfs/dbraw/zinc/91/95/68/523919568.db2.gz RIVAWSCGGDAUKV-DEOSSOPVSA-N 0 0 475.505 2.764 40 0 JFABRN COc1ccc(CN(C)C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC ZINC000020491443 523998619 /nfs/dbraw/zinc/99/86/19/523998619.db2.gz ZJAUTOQEOXBXEV-LJQANCHMSA-N 0 0 454.932 2.543 40 0 JFABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)NCc3ccccc3)nnc1n(C)c2=O ZINC000033256753 523999915 /nfs/dbraw/zinc/99/99/15/523999915.db2.gz XDVLKTLIXHTHCL-HNNXBMFYSA-N 0 0 478.578 2.518 40 0 JFABRN CC[C@H](C)OC(=O)[C@@H](C)OC(=O)OCCOCCOC(=O)O[C@@H](C)C(=O)O[C@@H](C)CC ZINC000004353199 524008183 /nfs/dbraw/zinc/00/81/83/524008183.db2.gz ABXWTRBPSFPYRM-YHUYYLMFSA-N 0 0 450.481 2.770 40 0 JFABRN COc1ccc(CN(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000004388901 524012219 /nfs/dbraw/zinc/01/22/19/524012219.db2.gz KAIDGKQCJAUSQT-UHFFFAOYSA-N 0 0 456.524 2.809 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000012498295 524014137 /nfs/dbraw/zinc/01/41/37/524014137.db2.gz QGEGYURRMPKSKK-UWHHFBIGSA-N 0 0 482.558 2.710 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000012498049 524014256 /nfs/dbraw/zinc/01/42/56/524014256.db2.gz CXLBCXITWVXHHO-QPXQOZNCSA-N 0 0 488.587 2.634 40 0 JFABRN COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000019592410 524017454 /nfs/dbraw/zinc/01/74/54/524017454.db2.gz BYCNFUAPZHZIRN-IILZIBOQSA-N 0 0 486.480 2.640 40 0 JFABRN CO[C@H]1OC[C@@H](NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O ZINC000005492874 524022159 /nfs/dbraw/zinc/02/21/59/524022159.db2.gz HDWFQKCUDHLFAA-CDIGIKMISA-N 0 0 458.640 2.649 40 0 JFABRN C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC(=O)Nc3ccccc3)C3CC3)cc2)C1 ZINC000013496990 524104180 /nfs/dbraw/zinc/10/41/80/524104180.db2.gz OKOXTLMHBJQSIV-SFHVURJKSA-N 0 0 491.635 2.899 40 0 JFABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N3)C1 ZINC000040388788 524105839 /nfs/dbraw/zinc/10/58/39/524105839.db2.gz ONHWUSZHQGLPCY-FZMZJTMJSA-N 0 0 460.332 2.833 40 0 JFABRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000008671100 524118367 /nfs/dbraw/zinc/11/83/67/524118367.db2.gz PJSUJCOCIIMTHZ-LJQANCHMSA-N 0 0 463.625 2.761 40 0 aggregator JFABRN C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N ZINC000012472747 524213377 /nfs/dbraw/zinc/21/33/77/524213377.db2.gz FRAMHANQOIYAPI-ZDUSSCGKSA-N 0 0 471.970 2.825 40 0 JFABRN COc1ccccc1CN(C)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000020455530 524429497 /nfs/dbraw/zinc/42/94/97/524429497.db2.gz UNXGAQWEHUYTJG-UHFFFAOYSA-N 0 0 488.347 2.724 40 0 JFABRN COc1ccccc1N1CCN(C(=O)CSc2nnc(NC(=O)c3ccco3)s2)CC1 ZINC000004092977 524544828 /nfs/dbraw/zinc/54/48/28/524544828.db2.gz STNHLCHYIAWFOR-UHFFFAOYSA-N 0 0 459.553 2.833 40 0 JFABRN COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000016248058 524545168 /nfs/dbraw/zinc/54/51/68/524545168.db2.gz MQAUEGRZFOAMBW-UHFFFAOYSA-N 0 0 473.595 2.597 40 0 JFABRN COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NS(=O)(=O)c4ccc5ccccc5c4)CO[C@H]23)cc1 ZINC000004235626 524581996 /nfs/dbraw/zinc/58/19/96/524581996.db2.gz AUVQXYYEJKNGLD-WBADGQHESA-N 0 0 484.530 2.910 40 0 biogenic,in-vitro JFABRN COc1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000014869015 524673812 /nfs/dbraw/zinc/67/38/12/524673812.db2.gz KEUJWHAXUCPQRL-UHFFFAOYSA-N 0 0 452.960 2.945 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3OC)CC2)c1 ZINC000020018068 524873900 /nfs/dbraw/zinc/87/39/00/524873900.db2.gz ATMLZFOHMDDARK-MRXNPFEDSA-N 0 0 462.568 2.991 40 0 JFABRN C[C@H]1Cc2cc(C(=O)NCCN3CCOCC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448808 524979500 /nfs/dbraw/zinc/97/95/00/524979500.db2.gz WXTQCPJATPBECS-INIZCTEOSA-N 0 0 463.987 2.542 40 0 JFABRN COc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C[C@H]2CCCO2)cc1 ZINC000006239914 525015294 /nfs/dbraw/zinc/01/52/94/525015294.db2.gz KRZPHLAMZRYMBM-GOSISDBHSA-N 0 0 472.519 2.635 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3OC)CC2)cc1OC ZINC000020017885 525019889 /nfs/dbraw/zinc/01/98/89/525019889.db2.gz IGKFNUHBVBSJTJ-MRXNPFEDSA-N 0 0 462.568 2.991 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C(=O)NC(C)C)C2)cc1 ZINC000013677512 525029893 /nfs/dbraw/zinc/02/98/93/525029893.db2.gz IXOQRCQLNGCPJY-QGZVFWFLSA-N 0 0 459.568 2.873 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4ccccc4)ccc(=O)n2C3)cc1 ZINC000005438057 525048376 /nfs/dbraw/zinc/04/83/76/525048376.db2.gz PIJLBEFLRZGZDP-PKOBYXMFSA-N 0 0 479.558 2.917 40 0 biogenic,in-vitro JFABRN COc1ncn([C@H]2C[C@@H](OC(=O)c3ccc(C)cc3)[C@@H](COC(=O)c3ccc(C)cc3)O2)c(=O)n1 ZINC000005124789 525077128 /nfs/dbraw/zinc/07/71/28/525077128.db2.gz ZUWKKHQJSZOTKK-NJDAHSKKSA-N 0 0 479.489 2.634 40 0 JFABRN Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC(C)(C)C)c2ccccc2F)cc1 ZINC000012472776 525094195 /nfs/dbraw/zinc/09/41/95/525094195.db2.gz RINRFEQTJMPAAH-JGCGQSQUSA-N 0 0 461.559 2.769 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC ZINC000044885158 525142144 /nfs/dbraw/zinc/14/21/44/525142144.db2.gz QEMALYDYEWVJRU-CQSZACIVSA-N 0 0 468.959 2.869 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1ccccc1Br ZINC000044881032 525151617 /nfs/dbraw/zinc/15/16/17/525151617.db2.gz BIECHMMJYDVVAB-UHFFFAOYSA-N 0 0 463.357 2.717 40 0 JFABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000020481601 525219068 /nfs/dbraw/zinc/21/90/68/525219068.db2.gz ORILXXZVJXAAFK-AWEZNQCLSA-N 0 0 451.932 2.873 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000013504500 525380946 /nfs/dbraw/zinc/38/09/46/525380946.db2.gz DEDYXPDSPHGVIC-ZJSXRUAMSA-N 0 0 482.560 2.920 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000013668897 525544291 /nfs/dbraw/zinc/54/42/91/525544291.db2.gz JRFAJSUCZRWIGV-UHFFFAOYSA-N 0 0 465.416 2.514 40 0 JFABRN Cc1ccc(S(=O)(=O)NCc2nnc(SCC(=O)Nc3ccccc3Cl)n2C)cc1 ZINC000035288950 525581094 /nfs/dbraw/zinc/58/10/94/525581094.db2.gz FKWBFKYBNUIJNC-UHFFFAOYSA-N 0 0 465.988 2.986 40 0 JFABRN C[C@@H]1OC[C@@H]2O[C@@H](C)O[C@@H](C(C3C(=O)CC(C)(C)CC3=O)C3C(=O)CC(C)(C)CC3=O)[C@@H]2O1 ZINC000005479599 525604195 /nfs/dbraw/zinc/60/41/95/525604195.db2.gz VYFXIITZEXVDOU-LWMGFCBLSA-N 0 0 464.555 2.643 40 0 JFABRN COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc43)c(=O)[nH]c2c1 ZINC000006176885 525640108 /nfs/dbraw/zinc/64/01/08/525640108.db2.gz VKBLGFUVFAIWBN-AUSIDOKSSA-N 0 0 458.522 2.854 40 0 JFABRN Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccc(F)cc2)c1 ZINC000004093580 525677164 /nfs/dbraw/zinc/67/71/64/525677164.db2.gz VRDDLKSPKDLLES-FQEVSTJZSA-N 0 0 456.518 2.572 40 0 JFABRN Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC(C)(C)C)Cc2ccc3c(c2)OCO3)c1 ZINC000013503714 525677308 /nfs/dbraw/zinc/67/73/08/525677308.db2.gz IEGWKZSUVFRPOC-UHFFFAOYSA-N 0 0 454.527 2.781 40 0 JFABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1 ZINC000020022271 526067095 /nfs/dbraw/zinc/06/70/95/526067095.db2.gz QVWPDQCWBFBZCS-KRWDZBQOSA-N 0 0 464.609 2.994 40 0 JFABRN C[C@H](C(=O)NCc1ccco1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cnccn3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466939 526090109 /nfs/dbraw/zinc/09/01/09/526090109.db2.gz PRYGCQVVTIQNDW-MNCPABPMSA-N 0 0 454.571 2.944 40 0 biogenic,in-vitro JFABRN COc1cccc(Cn2cc(NC(=O)c3ccn(Cn4cc(Br)cn4)n3)cn2)c1 ZINC000028229440 526110752 /nfs/dbraw/zinc/11/07/52/526110752.db2.gz CFOFZOVNVPLYML-UHFFFAOYSA-N 0 0 456.304 2.854 40 0 JFABRN COc1cccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@@H]5C4=O)c3)CC2=O)c1 ZINC000013856959 526161746 /nfs/dbraw/zinc/16/17/46/526161746.db2.gz DRWCAAVPLFQKNF-UUSOTWBNSA-N 0 0 472.497 2.965 40 0 JFABRN COc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000043842879 526232657 /nfs/dbraw/zinc/23/26/57/526232657.db2.gz XXPJREQZBTYVAA-UHFFFAOYSA-N 0 0 452.960 2.945 40 0 JFABRN Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 ZINC000020082527 526233889 /nfs/dbraw/zinc/23/38/89/526233889.db2.gz DLAVTCJFPRFJDK-OAQYLSRUSA-N 0 0 475.553 2.718 40 0 JFABRN Cc1csc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccc3c(c2)OCO3)n1 ZINC000013505657 526383239 /nfs/dbraw/zinc/38/32/39/526383239.db2.gz AZKBJAGQCKYEEP-UHFFFAOYSA-N 0 0 472.567 2.987 40 0 JFABRN O=C(CCn1c2nn(Cc3cccc(F)c3)c(=O)n2c2ccccc2c1=O)NC1CCCCC1 ZINC000048988729 526669884 /nfs/dbraw/zinc/66/98/84/526669884.db2.gz FIUPWTDGQYGZMJ-UHFFFAOYSA-N 0 0 463.513 2.837 40 0 JFABRN O=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 ZINC000013503234 526697886 /nfs/dbraw/zinc/69/78/86/526697886.db2.gz MSSXAJMTLIFESD-UHFFFAOYSA-N 0 0 489.981 2.599 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)N[C@H]1CCCc2ccccc21 ZINC000020023165 526965624 /nfs/dbraw/zinc/96/56/24/526965624.db2.gz QKIRSFQPSGEFHG-FQEVSTJZSA-N 0 0 464.971 2.934 40 0 JFABRN NC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1 ZINC000020106653 527058602 /nfs/dbraw/zinc/05/86/02/527058602.db2.gz DUGHERYYPKVLBG-UHFFFAOYSA-N 0 0 480.384 2.729 40 0 JFABRN O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2ccc(-c3ccccc3)cc2)n1)N1CCOCC1 ZINC000005433944 527073621 /nfs/dbraw/zinc/07/36/21/527073621.db2.gz OPVPHPCHMIXHPI-CXSMSNRLSA-N 0 0 487.560 2.799 40 0 biogenic,in-vitro JFABRN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012469639 527075227 /nfs/dbraw/zinc/07/52/27/527075227.db2.gz HMKCSOFAEKUPCH-UHFFFAOYSA-N 0 0 490.632 2.932 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000012473122 527105106 /nfs/dbraw/zinc/10/51/06/527105106.db2.gz ZJGKIMUZGOTMHH-FXAWDEMLSA-N 0 0 497.552 2.647 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000012473141 527105326 /nfs/dbraw/zinc/10/53/26/527105326.db2.gz ZJGKIMUZGOTMHH-XLIONFOSSA-N 0 0 497.552 2.647 40 0 JFABRN [NH3+]CCCC[C@H](C(=O)NCC(=O)[O-])N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005706706 527176726 /nfs/dbraw/zinc/17/67/26/527176726.db2.gz QTEKROQPHXDFBL-HXUWFJFHSA-N 0 0 471.510 2.660 40 0 JFABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000017605208 527224426 /nfs/dbraw/zinc/22/44/26/527224426.db2.gz XFTMVFLIWLKFEW-UHFFFAOYSA-N 0 0 463.943 2.740 40 0 JFABRN O=C(Cc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(S(=O)(=O)c2cccs2)C1 ZINC000004236526 527283984 /nfs/dbraw/zinc/28/39/84/527283984.db2.gz LLAZTXKVBYIRRY-ZWKOTPCHSA-N 0 0 469.588 2.899 40 0 biogenic,in-vitro JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C[C@@H]1CCCO1)C1CCCCC1)OCO3 ZINC000008617337 527443048 /nfs/dbraw/zinc/44/30/48/527443048.db2.gz NSGSQTZXSSENSC-IBGZPJMESA-N 0 0 466.542 2.757 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCCO)S(=O)(=O)c1ccccc1Cl)OCCO3 ZINC000006446084 527443400 /nfs/dbraw/zinc/44/34/00/527443400.db2.gz OIAQPUXMOGLAPE-UHFFFAOYSA-N 0 0 464.927 2.526 40 0 JFABRN O=C(NC1CCCCC1)[C@H]1[C@H]2C=C[C@]3(O2)[C@H]1C(=O)N(Cc1cccnc1)[C@@H]3C(=O)NC1CCCCC1 ZINC000033939824 527516387 /nfs/dbraw/zinc/51/63/87/527516387.db2.gz JXWVVJYVOKKCLC-QWPPCQAFSA-N 0 0 492.620 2.630 40 0 JFABRN O=C([O-])C[C@@H]1CCN(C(=O)Cc2cccs2)C[C@@H]1CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012480908 527629763 /nfs/dbraw/zinc/62/97/63/527629763.db2.gz SVKRLVOXESBKNP-XSDIEEQYSA-N 0 0 483.634 2.901 40 0 biogenic,in-vitro JFABRN O=C([O-])C[C@@H]1CCN(C(=O)COc2ccccc2)C[C@@H]1CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000020463186 527630768 /nfs/dbraw/zinc/63/07/68/527630768.db2.gz NUTNJKDFYJSSGA-CWBXHPNXSA-N 0 0 493.604 2.676 40 0 biogenic,in-vitro JFABRN COc1cccc(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1 ZINC000000798908 553783298 /nfs/dbraw/zinc/78/32/98/553783298.db2.gz RFRKAFAIUJXFDW-UHFFFAOYSA-N 0 0 468.510 2.605 40 0 JFABRN O=C(NCCc1ccccc1)C1CCN(C(=O)[C@@H](C(=O)c2ccccc2)n2ccccc2=O)CC1 ZINC000000819445 553785878 /nfs/dbraw/zinc/78/58/78/553785878.db2.gz WTRAYEXLGQPBJV-RUZDIDTESA-N 0 0 471.557 2.870 40 0 JFABRN COc1ccc2cc(CN(CCN3CCOCC3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000000879695 553816169 /nfs/dbraw/zinc/81/61/69/553816169.db2.gz WUDXYWQEFSEZSR-UHFFFAOYSA-N 0 0 458.628 2.878 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCCc3ccccc3)cc2c1 ZINC000000880014 553816795 /nfs/dbraw/zinc/81/67/95/553816795.db2.gz IBVMXKWHWZETQD-UHFFFAOYSA-N 0 0 480.634 2.788 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)o1 ZINC000000886171 553824862 /nfs/dbraw/zinc/82/48/62/553824862.db2.gz HPKHKRREHBGTFO-XXBNENTESA-N 0 0 496.568 2.951 40 0 JFABRN COc1cc2cc(CN(Cc3cccnc3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1OC ZINC000000895280 553831454 /nfs/dbraw/zinc/83/14/54/553831454.db2.gz JWDHDJSGDNTPTI-IBGZPJMESA-N 0 0 468.579 2.996 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1 ZINC000000909220 553841001 /nfs/dbraw/zinc/84/10/01/553841001.db2.gz APPWBISHLAOUHF-OFNKIYASSA-N 0 0 494.596 2.675 40 0 JFABRN Cc1ccc(Cn2c(SCC(=O)Nc3ccccc3F)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000930506 553868288 /nfs/dbraw/zinc/86/82/88/553868288.db2.gz IMELRPJIHLZGAG-UHFFFAOYSA-N 0 0 467.526 2.660 40 0 JFABRN Cc1ccc(Cn2c(SCC(=O)c3ccccc3F)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000930507 553868331 /nfs/dbraw/zinc/86/83/31/553868331.db2.gz UWKWVBJECXUDIK-UHFFFAOYSA-N 0 0 452.511 2.905 40 0 JFABRN CC(C)n1c(SCC(=O)Nc2ccccc2N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000932573 553870929 /nfs/dbraw/zinc/87/09/29/553870929.db2.gz LOYNCJNKZOSRLQ-UHFFFAOYSA-N 0 0 470.599 2.736 40 0 JFABRN COc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)c1OC ZINC000000934214 553872968 /nfs/dbraw/zinc/87/29/68/553872968.db2.gz ZLECZZPIAXSDFO-UHFFFAOYSA-N 0 0 485.522 2.672 40 0 JFABRN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C\c3ccco3)c(=O)n21 ZINC000002177395 554077776 /nfs/dbraw/zinc/07/77/76/554077776.db2.gz VQAGSMQFQTXPHS-LVSKKATPSA-N 0 0 468.531 2.799 40 0 JFABRN Cn1ccc(-c2nnc(SCC3N=NC(=S)N3Cc3ccco3)n2C[C@H]2CCCO2)n1 ZINC000002789655 554346136 /nfs/dbraw/zinc/34/61/36/554346136.db2.gz ZAMHJBKOSCETKU-CQSZACIVSA-N 0 0 458.573 2.671 40 0 JFABRN O=C(CN1C(=O)c2ccccc2C1=O)NCC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1 ZINC000004958395 554483766 /nfs/dbraw/zinc/48/37/66/554483766.db2.gz SUEATMMLWLMTLL-UHFFFAOYSA-N 0 0 468.554 2.602 40 0 JFABRN CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](n4nnnc4SCc4ccco4)CO[C@H]23)cc1 ZINC000005399239 554490070 /nfs/dbraw/zinc/49/00/70/554490070.db2.gz LRGOBQIYEKPINV-WJFTUGDTSA-N 0 0 471.495 2.717 40 0 biogenic,in-vitro JFABRN O=C(OC[C@@H](O)[C@@H]1O[C@H](c2ccccc2)O[C@@H](COC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 ZINC000005732574 554493152 /nfs/dbraw/zinc/49/31/52/554493152.db2.gz PBDQBYAPPGCVBX-MMDWANJOSA-N 0 0 478.497 2.905 40 0 JFABRN CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006074745 554501891 /nfs/dbraw/zinc/50/18/91/554501891.db2.gz XCIOFCWHRVULSW-IFMALSPDSA-N 0 0 495.559 2.538 40 0 JFABRN COc1ccc2cc(CN(CCCO)C(=S)NCCc3ccc(OC)c(OC)c3)c(=O)[nH]c2c1 ZINC000006282757 554525886 /nfs/dbraw/zinc/52/58/86/554525886.db2.gz LIEQQNQHHKDVPU-UHFFFAOYSA-N 0 0 485.606 2.856 40 0 JFABRN NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1N ZINC000006445129 554539212 /nfs/dbraw/zinc/53/92/12/554539212.db2.gz JGSWIMSXYCVROG-HXUWFJFHSA-N 0 0 496.568 2.801 40 0 JFABRN CCCC(=O)Nc1nnc(CCOCCOCCc2nnc(NC(=O)CCC)s2)s1 ZINC000006471596 554543286 /nfs/dbraw/zinc/54/32/86/554543286.db2.gz BVTQIFRZNMHEQT-UHFFFAOYSA-N 0 0 456.594 2.685 40 0 JFABRN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccncc2)n1CCOC)c1ccccc1 ZINC000006546440 554549781 /nfs/dbraw/zinc/54/97/81/554549781.db2.gz GYAYMOFMQPODLC-UHFFFAOYSA-N 0 0 455.540 2.675 40 0 JFABRN CCOC(=O)C(=O)Nc1sc(C(=O)Nc2ccc(C(=O)OCC)cc2)c(C)c1C(=O)OC ZINC000006599904 554554826 /nfs/dbraw/zinc/55/48/26/554554826.db2.gz WCVVFIPURXCVAJ-UHFFFAOYSA-N 0 0 462.480 2.774 40 0 JFABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C)C(=O)NCc1ccccc1 ZINC000006631382 554556667 /nfs/dbraw/zinc/55/66/67/554556667.db2.gz ZXADTILRYYRYGJ-AWEZNQCLSA-N 0 0 467.551 2.575 40 0 JFABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N ZINC000006631733 554556777 /nfs/dbraw/zinc/55/67/77/554556777.db2.gz QKILFRZBFRCKBF-HNNXBMFYSA-N 0 0 463.991 2.957 40 0 JFABRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)cc1 ZINC000006822084 554558720 /nfs/dbraw/zinc/55/87/20/554558720.db2.gz RLHZYLJDAVOZOG-JXFKEZNVSA-N 0 0 497.577 2.663 40 0 JFABRN COC(=O)[C@H]1NC(c2ccccc2)(c2ccccc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000006973768 554562973 /nfs/dbraw/zinc/56/29/73/554562973.db2.gz QLGNKQPVFSIVOY-VABKMULXSA-N 0 0 456.498 2.889 40 0 JFABRN COc1cc([C@@H]2OC(=O)[C@@H]3[C@@H](c4ccc(OC(C)=O)c(OC)c4)OC(=O)[C@H]23)ccc1OC(C)=O ZINC000008384499 554567566 /nfs/dbraw/zinc/56/75/66/554567566.db2.gz TZUOQQNNRRRFIM-MYGLTJDJSA-N 0 0 470.430 2.683 40 0 biogenic,in-vitro JFABRN COc1cc([C@@H]2OC(=O)[C@@H]3[C@H](c4ccc(OC(C)=O)c(OC)c4)OC(=O)[C@H]23)ccc1OC(C)=O ZINC000008384502 554567626 /nfs/dbraw/zinc/56/76/26/554567626.db2.gz TZUOQQNNRRRFIM-CMOCDZPBSA-N 0 0 470.430 2.683 40 0 biogenic,in-vitro JFABRN CC1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000008751245 554653161 /nfs/dbraw/zinc/65/31/61/554653161.db2.gz QLIAYYPNQCCFJM-IIBYNOLFSA-N 0 0 452.515 2.656 40 0 JFABRN COC(=O)c1ccccc1NC(=S)N1CCN(C(=S)Nc2ccccc2C(=O)OC)CC1 ZINC000008781229 554678210 /nfs/dbraw/zinc/67/82/10/554678210.db2.gz LQHOCJHBAAIACD-UHFFFAOYSA-N 0 0 472.592 2.971 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)o2)cc1 ZINC000008884837 554778802 /nfs/dbraw/zinc/77/88/02/554778802.db2.gz QJFSTGRYZYCVLZ-GJZGRUSLSA-N 0 0 472.523 2.795 40 0 JFABRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000008897481 554787728 /nfs/dbraw/zinc/78/77/28/554787728.db2.gz ZLBKMWPDNJMCCG-UHFFFAOYSA-N 0 0 486.594 2.898 40 0 JFABRN CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000008951974 554835050 /nfs/dbraw/zinc/83/50/50/554835050.db2.gz JNTQSSGVHLUIBL-LLJSYZHHSA-N 0 0 464.643 2.883 40 0 biogenic JFABRN COCCN1C(=O)[C@@H]2[C@H]3C=Cc4cc(Br)ccc4N3[C@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000008991689 554852932 /nfs/dbraw/zinc/85/29/32/554852932.db2.gz PUVVJEGYMVFOQC-BDXSIMOUSA-N 0 0 461.356 2.896 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2)Nc1ccccn1 ZINC000008994718 554854775 /nfs/dbraw/zinc/85/47/75/554854775.db2.gz CRKYWLCHSOYZDH-UHFFFAOYSA-N 0 0 474.517 2.921 40 0 JFABRN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](O)c1ccc(Cl)cc1)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000008996030 554856611 /nfs/dbraw/zinc/85/66/11/554856611.db2.gz OHOFGOANDVJBSY-YYVLHXKZSA-N 0 0 471.916 2.732 40 0 JFABRN COc1ccccc1N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000009063793 554881700 /nfs/dbraw/zinc/88/17/00/554881700.db2.gz PYZOOTIAMZFYCL-UHFFFAOYSA-N 0 0 473.595 2.841 40 0 JFABRN COc1cc(OC)cc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c1 ZINC000009142257 554935246 /nfs/dbraw/zinc/93/52/46/554935246.db2.gz CXBQSYUDEHPQIR-UHFFFAOYSA-N 0 0 468.564 2.983 40 0 JFABRN CNC(=S)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1N2[C@H]2C[C@]1(C)CC(C)(C)C2 ZINC000009186251 554958623 /nfs/dbraw/zinc/95/86/23/554958623.db2.gz YHJGUGBSHQYESE-SDWUMEBZSA-N 0 0 483.638 2.969 40 0 JFABRN COc1cccc(-n2c3nnc(SCn4nnc5ccccc5c4=O)n3c3ccccc3c2=O)c1 ZINC000009495782 555280567 /nfs/dbraw/zinc/28/05/67/555280567.db2.gz JOCIWIJCNRSUGJ-UHFFFAOYSA-N 0 0 483.513 2.897 40 0 JFABRN COCCNC(=O)[C@@H](c1cccnc1)N(Cc1ccc(C)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013150661 555356223 /nfs/dbraw/zinc/35/62/23/555356223.db2.gz IJGAFCGUHWCMBC-RUZDIDTESA-N 0 0 472.549 2.667 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)no1 ZINC000013150870 555356868 /nfs/dbraw/zinc/35/68/68/555356868.db2.gz QQQMLAFGEUIECA-NTKDMRAZSA-N 0 0 495.536 2.755 40 0 JFABRN CCC[C@H](C(=O)NC(C)(C)CC)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013150994 555357737 /nfs/dbraw/zinc/35/77/37/555357737.db2.gz SCGMTFSIUKYEIQ-UYAOXDASSA-N 0 0 485.622 2.585 40 0 JFABRN CC(C)[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013151043 555358246 /nfs/dbraw/zinc/35/82/46/555358246.db2.gz SQNAVHGXBDSJEZ-QHCPKHFHSA-N 0 0 469.563 2.932 40 0 JFABRN Cc1ccc(C)c(N(CC(=O)NCc2ccco2)C(=O)CNS(=O)(=O)c2ccccc2)c1 ZINC000013151039 555358254 /nfs/dbraw/zinc/35/82/54/555358254.db2.gz ANGDOEUSTASLNT-UHFFFAOYSA-N 0 0 455.536 2.524 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCc1ccccc1)c1ccc2c(c1)OCO2)Nc1nccs1 ZINC000013501611 555450667 /nfs/dbraw/zinc/45/06/67/555450667.db2.gz KYNGZISBWKIFRF-UHFFFAOYSA-N 0 0 466.519 2.940 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1nccs1)[C@H](C(=O)NCCC(C)C)c1ccc(O)cc1 ZINC000013501909 555451997 /nfs/dbraw/zinc/45/19/97/555451997.db2.gz CILPTIJSZMRTSK-NRFANRHFSA-N 0 0 476.599 2.946 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1nccs1)[C@@H](C(=O)NCCC(C)C)c1ccc(O)cc1 ZINC000013501908 555452012 /nfs/dbraw/zinc/45/20/12/555452012.db2.gz CILPTIJSZMRTSK-OAQYLSRUSA-N 0 0 476.599 2.946 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCc1ccco1)Cc1ccc2c(c1)OCO2)Nc1nccs1 ZINC000013501989 555452342 /nfs/dbraw/zinc/45/23/42/555452342.db2.gz DZDGPXDTFCFXBV-UHFFFAOYSA-N 0 0 470.507 2.529 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccco1)c1ccccc1C ZINC000013502464 555455232 /nfs/dbraw/zinc/45/52/32/555455232.db2.gz ZYUHFUNWXGDTRY-DEOSSOPVSA-N 0 0 461.522 2.865 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccccc1C ZINC000013502463 555455236 /nfs/dbraw/zinc/45/52/36/555455236.db2.gz ZYUHFUNWXGDTRY-XMMPIXPASA-N 0 0 461.522 2.865 40 0 JFABRN CC(C)[C@H](C(=O)NCc1ccccc1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502744 555456977 /nfs/dbraw/zinc/45/69/77/555456977.db2.gz QBDVJUBSAIZEDE-XMMPIXPASA-N 0 0 483.590 2.928 40 0 JFABRN CC(=O)c1ccc(O[C@H]2O[C@H]3CO[C@H](c4cccc(Br)c4)O[C@@H]3[C@@H](O)[C@@H]2O)cc1 ZINC000009724736 555457677 /nfs/dbraw/zinc/45/76/77/555457677.db2.gz FPFBRQIPKFIBQG-PXQJOHHUSA-N 0 0 465.296 2.591 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)CC)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000013502929 555458211 /nfs/dbraw/zinc/45/82/11/555458211.db2.gz CDIDAXINQONJDC-HXUWFJFHSA-N 0 0 463.600 2.979 40 0 JFABRN CC(C)[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCC1 ZINC000013503062 555459071 /nfs/dbraw/zinc/45/90/71/555459071.db2.gz WMVBIXHZYUKXSG-JOCHJYFZSA-N 0 0 479.574 2.809 40 0 JFABRN O=C(CN(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)NCc1ccco1 ZINC000013503237 555460027 /nfs/dbraw/zinc/46/00/27/555460027.db2.gz ADJJYHSWTYHBCE-UHFFFAOYSA-N 0 0 461.927 2.561 40 0 JFABRN O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCC1 ZINC000013503227 555460109 /nfs/dbraw/zinc/46/01/09/555460109.db2.gz IQILGUQPCVUPDN-UHFFFAOYSA-N 0 0 470.016 2.767 40 0 JFABRN CC[C@@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013503339 555460604 /nfs/dbraw/zinc/46/06/04/555460604.db2.gz NIYQTSMBDBFMAJ-QFIPXVFZSA-N 0 0 469.563 2.682 40 0 JFABRN COc1cc([C@H](c2nnnn2C(C)(C)C)N2CCN(C(=O)c3ccco3)CC2)cc(OC)c1OC ZINC000013504040 555462409 /nfs/dbraw/zinc/46/24/09/555462409.db2.gz YIMKDQKJAJOIHM-HXUWFJFHSA-N 0 0 484.557 2.594 40 0 JFABRN COC(=O)c1cccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)c1 ZINC000013505825 555468311 /nfs/dbraw/zinc/46/83/11/555468311.db2.gz RTTNEGHFGTXWDV-UHFFFAOYSA-N 0 0 456.499 2.580 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1C ZINC000013505846 555468345 /nfs/dbraw/zinc/46/83/45/555468345.db2.gz HZRDMYUUOIVLIN-YADARESESA-N 0 0 486.569 2.522 40 0 JFABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(CCOC)C(=O)CNC(=O)c2ccco2)cc1 ZINC000013507180 555475241 /nfs/dbraw/zinc/47/52/41/555475241.db2.gz ZOEUXIYNDARBLL-QHCPKHFHSA-N 0 0 471.554 2.683 40 0 JFABRN O=C(CNC(=O)c1ccco1)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCC1)c1cccnc1 ZINC000013507390 555475967 /nfs/dbraw/zinc/47/59/67/555475967.db2.gz UVJUBNPPXOHQPH-XMMPIXPASA-N 0 0 490.516 2.966 40 0 JFABRN COCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccccc1C ZINC000013507870 555477176 /nfs/dbraw/zinc/47/71/76/555477176.db2.gz IXIOEKSNUWTUPB-QHCPKHFHSA-N 0 0 455.555 2.983 40 0 JFABRN COCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 ZINC000013508009 555477711 /nfs/dbraw/zinc/47/77/11/555477711.db2.gz DNWYJZPYJAOXAO-HSZRJFAPSA-N 0 0 471.554 2.683 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013508294 555478416 /nfs/dbraw/zinc/47/84/16/555478416.db2.gz ADYVLXREWGBUNQ-HSZRJFAPSA-N 0 0 465.485 2.696 40 0 JFABRN COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)=O)cc1 ZINC000013508557 555478903 /nfs/dbraw/zinc/47/89/03/555478903.db2.gz ZKVKITYVKUHICD-DEOSSOPVSA-N 0 0 475.505 2.764 40 0 JFABRN COCCNC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013508831 555479833 /nfs/dbraw/zinc/47/98/33/555479833.db2.gz QJCUMVXXFURJFM-RUZDIDTESA-N 0 0 487.516 2.697 40 0 JFABRN COCCNC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(C)c1 ZINC000013509371 555481363 /nfs/dbraw/zinc/48/13/63/555481363.db2.gz XBCBXASZBRAPPY-RUZDIDTESA-N 0 0 472.549 2.980 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCCO)[C@@H](C)c3nnnn3Cc3ccco3)cc2c1 ZINC000013510397 555482243 /nfs/dbraw/zinc/48/22/43/555482243.db2.gz KSPRDNGPZBOPDW-INIZCTEOSA-N 0 0 452.515 2.500 40 0 JFABRN Cc1cccc(-c2nc3c(cnn3-c3ccccc3)c(SCC(=O)Nc3c[nH]c(=O)[nH]c3=O)n2)c1 ZINC000013561699 555494799 /nfs/dbraw/zinc/49/47/99/555494799.db2.gz MEYWCDQCSXJCCP-UHFFFAOYSA-N 0 0 485.529 2.898 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2ncoc2-c2ccccc2F)CC1 ZINC000013565422 555501678 /nfs/dbraw/zinc/50/16/78/555501678.db2.gz GWUMWOGAEGSSRB-UHFFFAOYSA-N 0 0 459.499 2.944 40 0 JFABRN CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000013565577 555502249 /nfs/dbraw/zinc/50/22/49/555502249.db2.gz IBMVOUCTWWFJQU-NRFANRHFSA-N 0 0 497.539 2.722 40 0 JFABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O ZINC000019856057 555513748 /nfs/dbraw/zinc/51/37/48/555513748.db2.gz FCBSICJTTMQTFP-UHFFFAOYSA-N 0 0 486.015 2.838 40 0 JFABRN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1Cl ZINC000019856501 555515959 /nfs/dbraw/zinc/51/59/59/555515959.db2.gz WKGVZEPDKFJSKM-UHFFFAOYSA-N 0 0 465.959 2.526 40 0 JFABRN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)CC1 ZINC000013580827 555519143 /nfs/dbraw/zinc/51/91/43/555519143.db2.gz PDVYUZPSUFVLEV-SFHVURJKSA-N 0 0 491.585 2.592 40 0 JFABRN COc1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)c1 ZINC000013580740 555519250 /nfs/dbraw/zinc/51/92/50/555519250.db2.gz AKAIAVGZDUMFEK-AWEZNQCLSA-N 0 0 452.504 2.891 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868781 555523383 /nfs/dbraw/zinc/52/33/83/555523383.db2.gz ZTCUIAAJDVTJQH-QGZVFWFLSA-N 0 0 497.664 2.962 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)cc1OC ZINC000013585876 555524208 /nfs/dbraw/zinc/52/42/08/555524208.db2.gz BGXYPBQYDVWWAI-UHFFFAOYSA-N 0 0 478.592 2.880 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013586000 555524216 /nfs/dbraw/zinc/52/42/16/555524216.db2.gz AUUYZVHGWNVMCI-UHFFFAOYSA-N 0 0 459.593 2.853 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585997 555524223 /nfs/dbraw/zinc/52/42/23/555524223.db2.gz JISRWMKQTADUIC-UHFFFAOYSA-N 0 0 473.620 2.848 40 0 JFABRN CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)O)C(=O)OCc1ccccc1 ZINC000019892112 555530798 /nfs/dbraw/zinc/53/07/98/555530798.db2.gz ISPBPVLFJJIJBT-STZQEDGTSA-N 0 0 456.539 2.937 40 0 JFABRN COCCCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1Cl ZINC000009831526 555534026 /nfs/dbraw/zinc/53/40/26/555534026.db2.gz PZDGRTANAVAMKH-UHFFFAOYSA-N 0 0 453.930 2.831 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1C ZINC000013613688 555535719 /nfs/dbraw/zinc/53/57/19/555535719.db2.gz ZTMSDZHQYHUNKT-OAHLLOKOSA-N 0 0 462.524 2.736 40 0 JFABRN O=CN1CCN(C(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000013631783 555541603 /nfs/dbraw/zinc/54/16/03/555541603.db2.gz MEBHAYFLMRZPGH-UHFFFAOYSA-N 0 0 463.559 2.996 40 0 JFABRN CCN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930265 555547515 /nfs/dbraw/zinc/54/75/15/555547515.db2.gz YZXDBGMJNIEHOW-UHFFFAOYSA-N 0 0 466.003 2.704 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC ZINC000019931814 555549365 /nfs/dbraw/zinc/54/93/65/555549365.db2.gz MLRYAYXPGLVSCL-CWTRNNRKSA-N 0 0 454.932 2.762 40 0 JFABRN COc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC ZINC000019931816 555549405 /nfs/dbraw/zinc/54/94/05/555549405.db2.gz MLRYAYXPGLVSCL-HXPMCKFVSA-N 0 0 454.932 2.762 40 0 JFABRN COc1ccc(S(=O)(=O)NCCCc2ccc(Cl)cc2)cc1C(=O)N1CCOCC1 ZINC000013648155 555552670 /nfs/dbraw/zinc/55/26/70/555552670.db2.gz JEJBFMZLHUMFFX-UHFFFAOYSA-N 0 0 452.960 2.732 40 0 JFABRN COc1ccccc1NC(=S)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019940465 555558423 /nfs/dbraw/zinc/55/84/23/555558423.db2.gz NFKXQSDSRPROJV-UHFFFAOYSA-N 0 0 496.589 2.797 40 0 JFABRN COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019940454 555558559 /nfs/dbraw/zinc/55/85/59/555558559.db2.gz VKLWKOGMBGLIPL-XUZZJYLKSA-N 0 0 472.549 2.850 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCCN1CCOCC1)C(=S)NC1CCCCC1)OCO3 ZINC000019940506 555558867 /nfs/dbraw/zinc/55/88/67/555558867.db2.gz CSWXVWLUXYJQJN-UHFFFAOYSA-N 0 0 486.638 2.988 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1F ZINC000019941170 555560059 /nfs/dbraw/zinc/56/00/59/555560059.db2.gz MJSKOPZZJSOIHF-RQOHWKINSA-N 0 0 479.549 2.988 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C)CC3)cc2c1 ZINC000019941439 555560577 /nfs/dbraw/zinc/56/05/77/555560577.db2.gz XWOJXLXZACEDAD-HSZRJFAPSA-N 0 0 461.545 2.601 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c(C)c1 ZINC000013671737 555563102 /nfs/dbraw/zinc/56/31/02/555563102.db2.gz XXHMBSYWHHXKBF-UHFFFAOYSA-N 0 0 450.513 2.594 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c(C)c1 ZINC000013676610 555567494 /nfs/dbraw/zinc/56/74/94/555567494.db2.gz AEQZLMKPZOTEEJ-UHFFFAOYSA-N 0 0 450.513 2.594 40 0 JFABRN COCCN1C(=O)[C@@H]2[C@H]3C=Cc4cc(Br)ccc4N3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000013680862 555573545 /nfs/dbraw/zinc/57/35/45/555573545.db2.gz PUVVJEGYMVFOQC-ZJPYXAASSA-N 0 0 461.356 2.896 40 0 JFABRN CN1C(=O)C(=C(Nc2ccc(F)cc2)SCC(=O)NCc2ccccc2)C(=O)N(C)C1=O ZINC000009973805 555575590 /nfs/dbraw/zinc/57/55/90/555575590.db2.gz SBFJESZSDGRXJU-UHFFFAOYSA-N 0 0 456.499 2.549 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCc4ccccc4C3)cc2c1 ZINC000019973302 555575656 /nfs/dbraw/zinc/57/56/56/555575656.db2.gz HCVFTNBALZHARB-QHCPKHFHSA-N 0 0 460.538 2.707 40 0 JFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NCCCOC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013686480 555579942 /nfs/dbraw/zinc/57/99/42/555579942.db2.gz QQERZISFSNIYBZ-HXUWFJFHSA-N 0 0 465.547 2.775 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1Cl ZINC000020006040 555580405 /nfs/dbraw/zinc/58/04/05/555580405.db2.gz LGYJFELARCOOBE-APWZRJJASA-N 0 0 452.960 2.533 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1Cl ZINC000020006043 555580438 /nfs/dbraw/zinc/58/04/38/555580438.db2.gz LGYJFELARCOOBE-VQIMIIECSA-N 0 0 452.960 2.533 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1Cl ZINC000020006046 555580454 /nfs/dbraw/zinc/58/04/54/555580454.db2.gz PQNGXXHYMCTSSN-FQEVSTJZSA-N 0 0 459.955 2.950 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000020007221 555582000 /nfs/dbraw/zinc/58/20/00/555582000.db2.gz WBWZUIOXJJLIIE-FQEVSTJZSA-N 0 0 467.547 2.631 40 0 JFABRN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009988105 555586899 /nfs/dbraw/zinc/58/68/99/555586899.db2.gz IEBGZTUTUVWWSJ-KGLIPLIRSA-N 0 0 484.559 2.808 40 0 JFABRN CC[C@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712486 555590066 /nfs/dbraw/zinc/59/00/66/555590066.db2.gz IHZROAGOKDGBNX-GOSISDBHSA-N 0 0 474.004 2.919 40 0 JFABRN CC[C@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713391 555590941 /nfs/dbraw/zinc/59/09/41/555590941.db2.gz PHNBUKWOWMOAPQ-HXUWFJFHSA-N 0 0 456.568 2.976 40 0 JFABRN CC[C@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713571 555591163 /nfs/dbraw/zinc/59/11/63/555591163.db2.gz GRPOSNUZUDJRNG-LJQANCHMSA-N 0 0 453.586 2.574 40 0 JFABRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713777 555591479 /nfs/dbraw/zinc/59/14/79/555591479.db2.gz WNGJDVLQBBDLEP-OAQYLSRUSA-N 0 0 479.624 2.963 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(OC)c(OC)c3)CC2)cc1C ZINC000020016679 555592557 /nfs/dbraw/zinc/59/25/57/555592557.db2.gz JJGWUBPVIONNJX-UHFFFAOYSA-N 0 0 462.568 2.738 40 0 JFABRN COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1OC ZINC000020019446 555595594 /nfs/dbraw/zinc/59/55/94/555595594.db2.gz LLGJCUURUUBYNO-INIZCTEOSA-N 0 0 450.557 2.894 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c(C)c1 ZINC000020022173 555599598 /nfs/dbraw/zinc/59/95/98/555599598.db2.gz VBWSJVORCQCPEO-MRXNPFEDSA-N 0 0 450.557 2.957 40 0 JFABRN COc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000020024999 555602920 /nfs/dbraw/zinc/60/29/20/555602920.db2.gz JAEGLCAJMJFYNA-AWEZNQCLSA-N 0 0 483.384 2.970 40 0 JFABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1OC ZINC000010041634 555606150 /nfs/dbraw/zinc/60/61/50/555606150.db2.gz ODLFYSRDJWYSLS-ZRDIBKRKSA-N 0 0 473.599 2.703 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1N1CCCC1=O ZINC000020038570 555612481 /nfs/dbraw/zinc/61/24/81/555612481.db2.gz AWIRTVVAWNYGSP-UHFFFAOYSA-N 0 0 493.607 2.797 40 0 JFABRN CS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)Oc2ccc(Cl)cc21 ZINC000020043568 555615063 /nfs/dbraw/zinc/61/50/63/555615063.db2.gz HMRJOWRVSAWDHO-IBGZPJMESA-N 0 0 470.378 2.869 40 0 JFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1OC ZINC000020044953 555615912 /nfs/dbraw/zinc/61/59/12/555615912.db2.gz LBPDLJKCJYBFSJ-UHFFFAOYSA-N 0 0 450.532 2.701 40 0 JFABRN C[C@H]1CCc2c(sc(NC(=O)[C@H]3COc4ccccc4O3)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000013776913 555616718 /nfs/dbraw/zinc/61/67/18/555616718.db2.gz PZMQVYFLDMXNGZ-PMUMKWKESA-N 0 0 490.603 2.568 40 0 JFABRN CCN(c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1)S(C)(=O)=O ZINC000020047521 555617945 /nfs/dbraw/zinc/61/79/45/555617945.db2.gz NXNMNDHZDBPMFI-UHFFFAOYSA-N 0 0 481.596 2.518 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C ZINC000010119272 555630052 /nfs/dbraw/zinc/63/00/52/555630052.db2.gz ZKHQRQKXGFYAGO-MRXNPFEDSA-N 0 0 450.582 2.928 40 0 JFABRN CCN(Cc1ccccc1)[C@H](c1nnnn1CCOC)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000020084218 555631671 /nfs/dbraw/zinc/63/16/71/555631671.db2.gz WFECJCLILSAWNJ-QFIPXVFZSA-N 0 0 462.510 2.501 40 0 JFABRN COc1cc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc(OC)c1OC ZINC000010127940 555633734 /nfs/dbraw/zinc/63/37/34/555633734.db2.gz QJGUVBBMVYHRCU-UHFFFAOYSA-N 0 0 498.590 2.992 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3-n3ccnc3C)C2)cc1 ZINC000020110896 555647276 /nfs/dbraw/zinc/64/72/76/555647276.db2.gz RNMNHXHEIAYLAU-FQEVSTJZSA-N 0 0 468.579 2.906 40 0 JFABRN NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000020111031 555647407 /nfs/dbraw/zinc/64/74/07/555647407.db2.gz SKQRHPHVHXIHSC-UHFFFAOYSA-N 0 0 480.384 2.729 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccccc2OC)C1C(=O)c1ccc(Br)cc1 ZINC000010231986 555655819 /nfs/dbraw/zinc/65/58/19/555655819.db2.gz VGKYJIBEKATMCP-KRWDZBQOSA-N 0 0 470.283 2.769 40 0 JFABRN Cc1ccnc(SC[C@H](C)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000010249106 555660285 /nfs/dbraw/zinc/66/02/85/555660285.db2.gz YCIDQLJCHCTKOA-OAHLLOKOSA-N 0 0 465.583 2.587 40 0 JFABRN Cc1nnc(SC[C@@H](C)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)s1 ZINC000010249299 555660617 /nfs/dbraw/zinc/66/06/17/555660617.db2.gz BBOQSFSECAPVBS-ZDUSSCGKSA-N 0 0 471.612 2.648 40 0 JFABRN Cc1nnc(SC[C@H](C)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)s1 ZINC000010249300 555660624 /nfs/dbraw/zinc/66/06/24/555660624.db2.gz BBOQSFSECAPVBS-CYBMUJFWSA-N 0 0 471.612 2.648 40 0 JFABRN CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000020150733 555667030 /nfs/dbraw/zinc/66/70/30/555667030.db2.gz SXLYGBGVPSJFHR-BOCITWAFSA-N 0 0 480.517 2.716 40 0 JFABRN CCC[C@]1(C(=O)OC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000020150833 555667459 /nfs/dbraw/zinc/66/74/59/555667459.db2.gz QDNNJANLDZUYRT-BOCITWAFSA-N 0 0 496.516 2.595 40 0 JFABRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)N2CCN(C=O)CC2)cc1 ZINC000010284723 555673477 /nfs/dbraw/zinc/67/34/77/555673477.db2.gz ULZSTJPMHNTXTO-UHFFFAOYSA-N 0 0 470.378 2.874 40 0 JFABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O ZINC000010336284 555691256 /nfs/dbraw/zinc/69/12/56/555691256.db2.gz FKSZKSBXXJTDML-AWEZNQCLSA-N 0 0 474.004 2.837 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000010336619 555691544 /nfs/dbraw/zinc/69/15/44/555691544.db2.gz MIXRWRCDUQHMIP-AWEZNQCLSA-N 0 0 483.974 2.518 40 0 JFABRN CN(C)S(=O)(=O)N1CCC(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)CC1 ZINC000010433882 555708321 /nfs/dbraw/zinc/70/83/21/555708321.db2.gz STBPSAAHFDGTGU-UHFFFAOYSA-N 0 0 454.445 2.861 40 0 JFABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 ZINC000010444776 555712339 /nfs/dbraw/zinc/71/23/39/555712339.db2.gz IQOCLXBKEGNLBW-UHFFFAOYSA-N 0 0 450.513 2.594 40 0 JFABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)c1 ZINC000010446063 555712943 /nfs/dbraw/zinc/71/29/43/555712943.db2.gz PWAFGGAAZOQJIV-UHFFFAOYSA-N 0 0 462.524 2.738 40 0 JFABRN CCOc1ccc(N(CC(=O)N2CCC(C(=O)OC)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000010542088 555725168 /nfs/dbraw/zinc/72/51/68/555725168.db2.gz NQHIPDUNCKURNL-UHFFFAOYSA-N 0 0 478.542 2.831 40 0 JFABRN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000020236696 555730533 /nfs/dbraw/zinc/73/05/33/555730533.db2.gz ZURSNJWNEOWIAX-UHFFFAOYSA-N 0 0 465.597 2.574 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000010788161 555740356 /nfs/dbraw/zinc/74/03/56/555740356.db2.gz BCTSXTKRKMYIGP-IBGZPJMESA-N 0 0 454.479 2.896 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000010860700 555743936 /nfs/dbraw/zinc/74/39/36/555743936.db2.gz GFMXOMXSUNDGBX-LJQANCHMSA-N 0 0 452.463 2.666 40 0 JFABRN CC(C)Cn1nnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)n1 ZINC000014269145 555757967 /nfs/dbraw/zinc/75/79/67/555757967.db2.gz CDPPSMXDMYDYHU-UHFFFAOYSA-N 0 0 464.720 2.714 40 0 JFABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1 ZINC000014277198 555785589 /nfs/dbraw/zinc/78/55/89/555785589.db2.gz WLXADCFSSPMAKV-UHFFFAOYSA-N 0 0 490.651 2.930 40 0 JFABRN Cc1c(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000014396300 555801897 /nfs/dbraw/zinc/80/18/97/555801897.db2.gz WFGCKHMSLHQFBG-UHFFFAOYSA-N 0 0 460.531 2.808 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)c1ccc2c(c1)OCCO2 ZINC000014396178 555801938 /nfs/dbraw/zinc/80/19/38/555801938.db2.gz PDKNXVOZSCSIOH-UHFFFAOYSA-N 0 0 475.567 2.638 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)c1ccc2c(c1)OCO2 ZINC000014397309 555802854 /nfs/dbraw/zinc/80/28/54/555802854.db2.gz CUQNIMONNWREGB-UHFFFAOYSA-N 0 0 461.540 2.596 40 0 JFABRN CCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2c(c1)OCO2 ZINC000014399233 555804943 /nfs/dbraw/zinc/80/49/43/555804943.db2.gz WHTWFCYKKYYWFX-UHFFFAOYSA-N 0 0 499.511 2.939 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1 ZINC000014399513 555804957 /nfs/dbraw/zinc/80/49/57/555804957.db2.gz XNMPWQBAKVHPCC-UHFFFAOYSA-N 0 0 466.387 2.840 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000014401664 555806847 /nfs/dbraw/zinc/80/68/47/555806847.db2.gz XRDRYFVWVAANBV-UHFFFAOYSA-N 0 0 487.578 2.879 40 0 JFABRN COc1ccccc1N1CCN(C2=[NH+][C@@H](C(=O)Nc3ccccc3C(F)(F)F)C=C([O-])N2)CC1 ZINC000014607036 555835899 /nfs/dbraw/zinc/83/58/99/555835899.db2.gz COPBYIJJOQDTEE-QGZVFWFLSA-N 0 0 475.471 2.719 40 0 JFABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000014608304 555836802 /nfs/dbraw/zinc/83/68/02/555836802.db2.gz KNYACTBCAAHTAI-MRXNPFEDSA-N 0 0 452.463 2.812 40 0 JFABRN COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc(OC)c1OC ZINC000011859115 555838555 /nfs/dbraw/zinc/83/85/55/555838555.db2.gz YCKJNMILXDCOQM-YRNRMSPPSA-N 0 0 454.401 2.816 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1 ZINC000021002186 555849179 /nfs/dbraw/zinc/84/91/79/555849179.db2.gz PNQVVRHBBHVRSJ-UHFFFAOYSA-N 0 0 487.622 2.843 40 0 JFABRN COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc(C(=O)OC)c1 ZINC000015012790 555854787 /nfs/dbraw/zinc/85/47/87/555854787.db2.gz PQCMEOVEXRBGJZ-UHFFFAOYSA-N 0 0 480.926 2.950 40 0 JFABRN CCOc1cc(CNn2c(-c3ccncc3)n[nH]c2=S)cc(Br)c1OCC(N)=O ZINC000022110911 555878292 /nfs/dbraw/zinc/87/82/92/555878292.db2.gz KNJMGEBAWLSEFE-UHFFFAOYSA-N 0 0 479.360 2.772 40 0 JFABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000022228937 555887853 /nfs/dbraw/zinc/88/78/53/555887853.db2.gz ZYWXWVHZMZBJFF-UHFFFAOYSA-N 0 0 494.411 2.921 40 0 JFABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000022232694 555892107 /nfs/dbraw/zinc/89/21/07/555892107.db2.gz AAMNEAHHXHEFSZ-UHFFFAOYSA-N 0 0 471.510 2.908 40 0 JFABRN CCN1CCN(C(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 ZINC000022233263 555893385 /nfs/dbraw/zinc/89/33/85/555893385.db2.gz MJMWZWFVEKTSHE-UHFFFAOYSA-N 0 0 466.003 2.849 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000022246554 555896741 /nfs/dbraw/zinc/89/67/41/555896741.db2.gz PSPYMGCFJLACKI-JOCHJYFZSA-N 0 0 487.622 2.802 40 0 JFABRN CCNC(=O)C[C@H]1C(=O)N(Cc2cccs2)C(=S)N1CCc1ccc(OC)c(OC)c1 ZINC000015321386 555898436 /nfs/dbraw/zinc/89/84/36/555898436.db2.gz WOVRZGFKFKBWGE-KRWDZBQOSA-N 0 0 461.609 2.832 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)COC)cc1Cl ZINC000022248271 555898608 /nfs/dbraw/zinc/89/86/08/555898608.db2.gz VTHKZQJDGDIBJR-BEFAXECRSA-N 0 0 454.976 2.779 40 0 JFABRN NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000015336158 555899398 /nfs/dbraw/zinc/89/93/98/555899398.db2.gz WGBIMDWPWOYYAB-UHFFFAOYSA-N 0 0 492.406 2.680 40 0 JFABRN Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000015576566 555916384 /nfs/dbraw/zinc/91/63/84/555916384.db2.gz JDFLODZRRKLJEQ-QGZVFWFLSA-N 0 0 472.542 2.663 40 0 JFABRN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000015576527 555916389 /nfs/dbraw/zinc/91/63/89/555916389.db2.gz ZJQJXAKNTYIBQP-SFHVURJKSA-N 0 0 461.559 2.584 40 0 JFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC ZINC000015589557 555917214 /nfs/dbraw/zinc/91/72/14/555917214.db2.gz NLDHUBCHFFXALR-UHFFFAOYSA-N 0 0 478.523 2.551 40 0 JFABRN O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015591324 555917425 /nfs/dbraw/zinc/91/74/25/555917425.db2.gz XMYFCBHYWHMOHE-UHFFFAOYSA-N 0 0 484.405 2.977 40 0 JFABRN COc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000015615534 555919512 /nfs/dbraw/zinc/91/95/12/555919512.db2.gz YBVPDKNDAOHDSE-UHFFFAOYSA-N 0 0 452.960 2.945 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000015638954 555921309 /nfs/dbraw/zinc/92/13/09/555921309.db2.gz VEIOPLUFGBOPLW-FQEVSTJZSA-N 0 0 485.606 2.943 40 0 JFABRN Cc1cc(C)c(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c(C)c1 ZINC000022427739 555930691 /nfs/dbraw/zinc/93/06/91/555930691.db2.gz DTAYQZVQPTZVSF-QGZVFWFLSA-N 0 0 452.598 2.659 40 0 JFABRN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccc(Cl)cc3)CN21)N1CCc2ccccc21 ZINC000015707619 555952977 /nfs/dbraw/zinc/95/29/77/555952977.db2.gz AUWHNCWMKDRFTO-VWPQPMDRSA-N 0 0 498.052 2.937 40 0 biogenic,in-vitro JFABRN CC(=O)OC[C@H]1O[C@@H](Sc2ccc(Cl)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000012364540 555959493 /nfs/dbraw/zinc/95/94/93/555959493.db2.gz FDRTYADXAMZRMR-SLHNCBLASA-N 0 0 474.915 2.515 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1 ZINC000023160885 556026539 /nfs/dbraw/zinc/02/65/39/556026539.db2.gz WAEUUXUSUBUXCW-UHFFFAOYSA-N 0 0 454.504 2.936 40 0 JFABRN O=c1[nH]c(NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc2c1CCCC2 ZINC000015879940 556051678 /nfs/dbraw/zinc/05/16/78/556051678.db2.gz FIKGYQICEWLSPX-UHFFFAOYSA-N 0 0 456.490 2.933 40 0 JFABRN O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000015907259 556064254 /nfs/dbraw/zinc/06/42/54/556064254.db2.gz UKQYVXYCMJEBRU-OAHLLOKOSA-N 0 0 486.504 2.822 40 0 JFABRN Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(S(=O)(=O)c4ccccc4F)C2)[nH]c3=O)cc1 ZINC000015907292 556064306 /nfs/dbraw/zinc/06/43/06/556064306.db2.gz YIWGHWJYNQXFSW-QGZVFWFLSA-N 0 0 482.541 2.579 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000023694752 556083598 /nfs/dbraw/zinc/08/35/98/556083598.db2.gz POKZJIQGIDMTDN-UHFFFAOYSA-N 0 0 475.586 2.974 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000015950097 556086512 /nfs/dbraw/zinc/08/65/12/556086512.db2.gz XJLQRTLBGVZTJA-UHFFFAOYSA-N 0 0 478.014 2.940 40 0 JFABRN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000024631271 556143206 /nfs/dbraw/zinc/14/32/06/556143206.db2.gz QMHWUJUNRKGYNO-HMUBQBSKSA-N 0 0 483.634 2.956 40 0 JFABRN O=C(NCc1ccccc1CN1CCCC1=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000025009402 556172189 /nfs/dbraw/zinc/17/21/89/556172189.db2.gz ZKHQURWUHRRIFD-NRFANRHFSA-N 0 0 455.580 2.526 40 0 JFABRN CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCOC)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013029236 556223626 /nfs/dbraw/zinc/22/36/26/556223626.db2.gz MFHPODVUTLXIRC-DEOSSOPVSA-N 0 0 497.596 2.970 40 0 JFABRN Cc1ccc2cc(CN(Cc3cccnc3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1 ZINC000026100231 556241297 /nfs/dbraw/zinc/24/12/97/556241297.db2.gz AJLFEHVOIJZWTF-UHFFFAOYSA-N 0 0 465.623 2.831 40 0 JFABRN CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000026108889 556241660 /nfs/dbraw/zinc/24/16/60/556241660.db2.gz DDZIKLLSXABBBD-UHFFFAOYSA-N 0 0 492.425 2.836 40 0 JFABRN Cn1c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2n(C)c1=O ZINC000026113341 556244486 /nfs/dbraw/zinc/24/44/86/556244486.db2.gz ZHQIEDVIGJZAQK-QHCPKHFHSA-N 0 0 492.557 2.613 40 0 JFABRN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000026113288 556244548 /nfs/dbraw/zinc/24/45/48/556244548.db2.gz KBBDUGJNEGNPCS-QHCPKHFHSA-N 0 0 466.515 2.829 40 0 JFABRN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)CC1 ZINC000026118428 556247960 /nfs/dbraw/zinc/24/79/60/556247960.db2.gz GRWYSJGYHPPXGI-UHFFFAOYSA-N 0 0 469.629 2.743 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000026770653 556260589 /nfs/dbraw/zinc/26/05/89/556260589.db2.gz FEVPWVNKYYOXAP-QHCPKHFHSA-N 0 0 485.606 2.512 40 0 JFABRN CCCS(=O)(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)C1 ZINC000013083317 556279470 /nfs/dbraw/zinc/27/94/70/556279470.db2.gz PYPFTXJZLHAXIK-CQSZACIVSA-N 0 0 450.952 2.548 40 0 JFABRN Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(S(=O)(=O)NC5CC5)cc4)C3)n2)o1 ZINC000013083995 556281446 /nfs/dbraw/zinc/28/14/46/556281446.db2.gz KYQYIJXZWTVBPM-OAHLLOKOSA-N 0 0 492.579 2.647 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@H](Cc3ccccc3C)NC(C)=O)CC2)c1 ZINC000013084903 556282585 /nfs/dbraw/zinc/28/25/85/556282585.db2.gz DAOYNWCBSMYJJG-QHCPKHFHSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccccc2C)CC1 ZINC000013085261 556283533 /nfs/dbraw/zinc/28/35/33/556283533.db2.gz NCBQQMJHPMTGES-JOCHJYFZSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000013085252 556283567 /nfs/dbraw/zinc/28/35/67/556283567.db2.gz GQZVHRBXWONFSZ-JOCHJYFZSA-N 0 0 452.555 2.864 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@H](Cc3ccc(OC)c(OC)c3)NC(C)=O)CC2)c1 ZINC000013085431 556284085 /nfs/dbraw/zinc/28/40/85/556284085.db2.gz QCMNHVAMRXGGQG-QFIPXVFZSA-N 0 0 498.580 2.572 40 0 JFABRN COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000013085495 556284333 /nfs/dbraw/zinc/28/43/33/556284333.db2.gz WYCUASYSJMJXML-HSZRJFAPSA-N 0 0 487.984 2.825 40 0 JFABRN COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(OC)c(Cl)c2)cc1C ZINC000028210001 556321087 /nfs/dbraw/zinc/32/10/87/556321087.db2.gz FJMWGAAODBTQQZ-MRXNPFEDSA-N 0 0 452.916 2.984 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000018699398 556323531 /nfs/dbraw/zinc/32/35/31/556323531.db2.gz HDLDOHKCWNTEPO-UHFFFAOYSA-N 0 0 487.578 2.595 40 0 JFABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)cc2c1 ZINC000019220724 556334558 /nfs/dbraw/zinc/33/45/58/556334558.db2.gz RIQNYNZBIKGAOW-OAQYLSRUSA-N 0 0 475.553 2.718 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)c(C)c3[nH]c2=O)N2CCOCC2)cc1 ZINC000019234230 556336717 /nfs/dbraw/zinc/33/67/17/556336717.db2.gz KAVAASWNWHSZHD-QHCPKHFHSA-N 0 0 460.538 2.610 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000019569214 556355387 /nfs/dbraw/zinc/35/53/87/556355387.db2.gz WMNAQNSDFUGAMG-XMMPIXPASA-N 0 0 491.571 2.829 40 0 JFABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000030848501 556376522 /nfs/dbraw/zinc/37/65/22/556376522.db2.gz LFPSYTVCKXPKBY-GOSISDBHSA-N 0 0 452.504 2.651 40 0 JFABRN Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000019823281 556393291 /nfs/dbraw/zinc/39/32/91/556393291.db2.gz ZWJQQNADYLDTKO-QFIPXVFZSA-N 0 0 472.655 2.723 40 0 JFABRN Cc1cc2cc(CN(CCN3CCOCC3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1Cl ZINC000019823348 556393313 /nfs/dbraw/zinc/39/33/13/556393313.db2.gz PPIKDWGRNRXFOW-IBGZPJMESA-N 0 0 479.046 2.678 40 0 JFABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCCN3CCOCC3)cc12 ZINC000019824218 556395074 /nfs/dbraw/zinc/39/50/74/556395074.db2.gz CRAVEQVOQGGLAF-NRFANRHFSA-N 0 0 472.655 2.723 40 0 JFABRN CCc1ccccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(OC)ccc1OC ZINC000032640036 556460003 /nfs/dbraw/zinc/46/00/03/556460003.db2.gz RYTQSOUTYOZUCY-AZUAARDMSA-N 0 0 489.619 2.980 40 0 JFABRN O=S(=O)(NC[C@H]1O[C@H](Cc2cc(COc3ccccc3)on2)CC[C@@H]1O)c1ccccc1 ZINC000077262954 560046582 /nfs/dbraw/zinc/04/65/82/560046582.db2.gz KWVHVZPPAVPRJY-AJSBUHFISA-N 0 0 458.536 2.683 40 0 biogenic,in-vitro JFABRN CS(=O)(=O)c1ccc(CN2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1 ZINC000035424648 560081107 /nfs/dbraw/zinc/08/11/07/560081107.db2.gz DOIAVKZXMVVLAU-FQEVSTJZSA-N 0 0 469.567 2.709 40 0 biogenic,in-vitro JFABRN COc1c2c(c(C)c3c1C[C@@H]1[C@@](C)(C[C@@H](O)[C@@]4(O)[C@]1(C)CCC(=O)OC4(C)C)O3)COC2=O ZINC000035455493 560081254 /nfs/dbraw/zinc/08/12/54/560081254.db2.gz ZVTVYIVILDSYIK-VTGZEFEPSA-N 0 0 460.523 2.601 40 0 biogenic,in-vitro JFABRN CC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@H]2CCCO2)c1 ZINC000008582737 562939941 /nfs/dbraw/zinc/93/99/41/562939941.db2.gz OSBOQHBNQJPOMY-HXUWFJFHSA-N 0 0 498.557 2.872 40 0 JFABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000008582755 562939948 /nfs/dbraw/zinc/93/99/48/562939948.db2.gz PNWRQMXMOCLZFM-LJQANCHMSA-N 0 0 486.546 2.693 40 0 JFABRN CC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@H]2CCCO2)cc1 ZINC000008586233 562940933 /nfs/dbraw/zinc/94/09/33/562940933.db2.gz XYQBNPFBQQZANW-HXUWFJFHSA-N 0 0 498.557 2.872 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccccc1)OCCO3 ZINC000008649073 562948518 /nfs/dbraw/zinc/94/85/18/562948518.db2.gz VMGMGPVPZKBODE-SFHVURJKSA-N 0 0 456.520 2.669 40 0 JFABRN CC(C)CCNC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C ZINC000008677582 562950677 /nfs/dbraw/zinc/95/06/77/562950677.db2.gz UVPLFBNBAWNFDS-UHFFFAOYSA-N 0 0 451.618 2.521 40 0 JFABRN COc1ccc(-c2cn(C[C@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4C(=O)NCc3ccc4c(c3)OCO4)nn2)cc1 ZINC000008299171 569589233 /nfs/dbraw/zinc/58/92/33/569589233.db2.gz HGCAIRSKVURRHL-VWPQPMDRSA-N 0 0 475.549 2.709 40 0 biogenic,in-vitro JFABRN CCCCn1nnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)n1 ZINC000057316263 569597575 /nfs/dbraw/zinc/59/75/75/569597575.db2.gz ADGTXUNFZONAPC-UHFFFAOYSA-N 0 0 464.720 2.858 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000059418406 569603230 /nfs/dbraw/zinc/60/32/30/569603230.db2.gz LNSQABISFXCVDO-QCHPHUCNSA-N 0 0 494.569 2.824 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000059418396 569603265 /nfs/dbraw/zinc/60/32/65/569603265.db2.gz ZVOOFFAKPQULQL-VZIOXZNFSA-N 0 0 494.569 2.824 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000059418394 569603291 /nfs/dbraw/zinc/60/32/91/569603291.db2.gz UHFZKKVMWALTGD-AFHVAHMMSA-N 0 0 480.542 2.521 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000059418384 569603310 /nfs/dbraw/zinc/60/33/10/569603310.db2.gz QSUDMGOBLMWOJE-VZIOXZNFSA-N 0 0 494.569 2.824 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccccc1 ZINC000059418578 569603393 /nfs/dbraw/zinc/60/33/93/569603393.db2.gz JBOYEPPWMKYPDY-FBHQFGEZSA-N 0 0 462.527 2.570 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3O)C2=O)o1 ZINC000033482693 569626780 /nfs/dbraw/zinc/62/67/80/569626780.db2.gz ZOTVMLJATFAQOY-WUXMJOGZSA-N 0 0 451.229 2.636 40 0 JFABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2Cl)CC1 ZINC000033516345 569627154 /nfs/dbraw/zinc/62/71/54/569627154.db2.gz PLLTXLHRIFAAOO-QGZVFWFLSA-N 0 0 466.003 2.922 40 0 JFABRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OC)c1O[C@H](C)C(=O)OC ZINC000033562968 569627914 /nfs/dbraw/zinc/62/79/14/569627914.db2.gz BWYZPWUEVGXJNT-JVVDOCDTSA-N 0 0 498.488 2.837 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC(C)=O)c(Br)c3)C2=O)o1 ZINC000033676280 569630536 /nfs/dbraw/zinc/63/05/36/569630536.db2.gz ZBDZVNTVAMXLFA-ZSOIEALJSA-N 0 0 463.240 2.847 40 0 JFABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)ccc1O ZINC000033728827 569632321 /nfs/dbraw/zinc/63/23/21/569632321.db2.gz DAVTYPXBSDIHGU-FNGUVFISSA-N 0 0 450.516 2.513 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc(OC)c3O[C@@H](C)C(=O)OC)C2=O)o1 ZINC000033783242 569634796 /nfs/dbraw/zinc/63/47/96/569634796.db2.gz PVUYRIZWUJOZHL-UXYFDLPDSA-N 0 0 492.868 2.761 40 0 JFABRN O=C(NC1CCCCC1)C(=O)N(C[C@@H]1CCCO1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1F ZINC000033939792 569639232 /nfs/dbraw/zinc/63/92/32/569639232.db2.gz LSFUSDITIMIMKV-QTEQDKRBSA-N 0 0 489.588 2.619 40 0 JFABRN Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(F)c4)[C@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@]2(C)O4)no1 ZINC000033939926 569639257 /nfs/dbraw/zinc/63/92/57/569639257.db2.gz CLWRQBMHDCACBI-UXSJRDHYSA-N 0 0 482.512 2.721 40 0 JFABRN CCOC(=O)[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OCC ZINC000034807626 569661375 /nfs/dbraw/zinc/66/13/75/569661375.db2.gz BEYMUEDAKPBGRS-FMNVXAMXSA-N 0 0 486.477 2.888 40 0 JFABRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000034858833 569667595 /nfs/dbraw/zinc/66/75/95/569667595.db2.gz KDJUOWMZZHQAEX-KAUDDPROSA-N 0 0 466.600 2.725 40 0 JFABRN CCOC(=O)C1=C(COC(=O)C23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)NC(=O)N[C@H]1C ZINC000034863433 569667880 /nfs/dbraw/zinc/66/78/80/569667880.db2.gz JLCDHDVTNDALNE-OHKYVSPTSA-N 0 0 455.349 2.782 40 0 JFABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)cc1 ZINC000034883009 569668850 /nfs/dbraw/zinc/66/88/50/569668850.db2.gz OHINUHOKMAWHHM-GOSISDBHSA-N 0 0 489.985 2.980 40 0 JFABRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OC)c1OCC#N ZINC000034887790 569668931 /nfs/dbraw/zinc/66/89/31/569668931.db2.gz UDHCZFQOXGIJAR-BOPFTXTBSA-N 0 0 451.435 2.799 40 0 JFABRN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)[C@@](C)(O)C[C@]12NNC(=S)N2 ZINC000035323693 569680652 /nfs/dbraw/zinc/68/06/52/569680652.db2.gz JLEORZPEHVPALO-ONBYOPHZSA-N 0 0 477.627 2.519 40 0 JFABRN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)[C@](C)(O)C[C@@]12NNC(=S)N2 ZINC000035323690 569680674 /nfs/dbraw/zinc/68/06/74/569680674.db2.gz JLEORZPEHVPALO-FIROGVPISA-N 0 0 477.627 2.519 40 0 JFABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H](CO)NC(=O)OCc4ccccc4)C3)cc2n1 ZINC000072341312 569703514 /nfs/dbraw/zinc/70/35/14/569703514.db2.gz CFOJGDXWFCCMFZ-AEFFLSMTSA-N 0 0 491.470 2.660 40 0 JFABRN CC1(C)O[C@@H]2[C@@H](O1)[C@@H](COC(=O)c1ccccc1)O[C@@H]2n1ccc(NC(=O)c2ccccc2)nc1=O ZINC000035805252 569711396 /nfs/dbraw/zinc/71/13/96/569711396.db2.gz TZLDOHYHINLXCG-RJSMDTJLSA-N 0 0 491.500 2.770 40 0 JFABRN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035844033 569714727 /nfs/dbraw/zinc/71/47/27/569714727.db2.gz NFPIGKHDJZHKST-WCGJNUNOSA-N 0 0 465.893 2.808 40 0 JFABRN COc1ccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@H]2C)cc1CO ZINC000095567488 569727869 /nfs/dbraw/zinc/72/78/69/569727869.db2.gz KVLFRAWTRWDEDF-SJORKVTESA-N 0 0 465.554 2.643 40 0 in-vitro JFABRN Cc1nc(CN2[C@@]3(CCN(S(=O)(=O)c4ccccc4)C3)c3ccccc3S2(=O)=O)cs1 ZINC000096143203 569736497 /nfs/dbraw/zinc/73/64/97/569736497.db2.gz SBXGREDKSHGPLP-OAQYLSRUSA-N 0 0 475.617 2.946 40 0 JFABRN CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4ccc(F)cc4)cc32)n1 ZINC000096156471 569736770 /nfs/dbraw/zinc/73/67/70/569736770.db2.gz IQMBPJPESHAOSU-LJQANCHMSA-N 0 0 457.531 2.840 40 0 JFABRN CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCCc4cccc(F)c4)cc32)n1 ZINC000096156482 569736855 /nfs/dbraw/zinc/73/68/55/569736855.db2.gz IXCKHWQWDKSBMI-FQEVSTJZSA-N 0 0 471.558 2.882 40 0 JFABRN CN1CCN(Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3cccs3)cn21 ZINC000096156662 569736931 /nfs/dbraw/zinc/73/69/31/569736931.db2.gz OOWXOSYEQAWMTG-OAQYLSRUSA-N 0 0 461.595 2.647 40 0 JFABRN C[C@@]12CCC(=O)N1[C@H](C(=O)NCCN1C(=O)S/C(=C/c3ccccc3Cl)C1=O)CS2 ZINC000096594276 569742356 /nfs/dbraw/zinc/74/23/56/569742356.db2.gz XZZGSDICZHXPAY-NFPZXEGGSA-N 0 0 465.984 2.947 40 0 JFABRN COc1cc(/C=c2\sc3n(c2=O)[C@@H]2c4ccccc4O[C@](C)(N=3)[C@@H]2C(C)=O)ccc1OC(F)F ZINC000035982204 569742857 /nfs/dbraw/zinc/74/28/57/569742857.db2.gz ALLPJLCWFDWYQA-HCDGPFNXSA-N 0 0 486.496 2.885 40 0 JFABRN C[C@@]12CCC(=O)N1[C@H](C(=O)NCCN1C(=O)S/C(=C/c3ccc(OC(F)F)cc3)C1=O)CS2 ZINC000097986005 569748441 /nfs/dbraw/zinc/74/84/41/569748441.db2.gz OYMSCMUUMQSSLT-VKCDZUSPSA-N 0 0 497.545 2.895 40 0 JFABRN COC(=O)[C@H]1NC(c2ccccc2)(c2ccccc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 ZINC000100584859 569765318 /nfs/dbraw/zinc/76/53/18/569765318.db2.gz QLGNKQPVFSIVOY-VJBWXMMDSA-N 0 0 456.498 2.889 40 0 JFABRN CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(OC)c1 ZINC000101164136 569785346 /nfs/dbraw/zinc/78/53/46/569785346.db2.gz KIDPCCKSYOTNKA-UHFFFAOYSA-N 0 0 455.540 2.976 40 0 JFABRN COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O ZINC000101352030 569794110 /nfs/dbraw/zinc/79/41/10/569794110.db2.gz VWQFHLSYXDDIMQ-XMODTWTHSA-N 0 0 465.893 2.558 40 0 JFABRN COc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000038186025 569800496 /nfs/dbraw/zinc/80/04/96/569800496.db2.gz JWBYLOQVHYOGIL-MRXNPFEDSA-N 0 0 486.326 2.960 40 0 JFABRN Cc1cc(NC(=O)COc2ccc([C@@H]3CC(=O)N=C4NC=NN43)cc2)ccc1Br ZINC000038282541 569801269 /nfs/dbraw/zinc/80/12/69/569801269.db2.gz MASSBPQIUHQYGA-KRWDZBQOSA-N 0 0 456.300 2.951 40 0 JFABRN Cc1cc(NC(=O)COc2ccc([C@H]3CC(=O)N=C4NC=NN43)cc2)ccc1Br ZINC000038282542 569801276 /nfs/dbraw/zinc/80/12/76/569801276.db2.gz MASSBPQIUHQYGA-QGZVFWFLSA-N 0 0 456.300 2.951 40 0 JFABRN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 ZINC000101590096 569801525 /nfs/dbraw/zinc/80/15/25/569801525.db2.gz GZBMHJWVHBUUCC-XRXFAXGQSA-N 0 0 463.877 2.862 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000038752028 569806297 /nfs/dbraw/zinc/80/62/97/569806297.db2.gz YYAKZJHOVRTBKP-UHFFFAOYSA-N 0 0 459.568 2.564 40 0 JFABRN COc1ccc(CNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1OC ZINC000038753256 569806583 /nfs/dbraw/zinc/80/65/83/569806583.db2.gz VDPXDYZNUQDVTM-UHFFFAOYSA-N 0 0 457.346 2.549 40 0 JFABRN Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038754179 569806673 /nfs/dbraw/zinc/80/66/73/569806673.db2.gz HAWBCEBZAMZWTD-HXUWFJFHSA-N 0 0 460.943 2.678 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1 ZINC000038828422 569808188 /nfs/dbraw/zinc/80/81/88/569808188.db2.gz RKQHXCRYWBNWQF-AHIWAGSCSA-N 0 0 452.515 2.560 40 0 JFABRN Cc1nc2n(c(=O)c1C)CN(CCCN1CCOCC1)CN2c1cccc(C(F)(F)F)c1 ZINC000038830032 569808455 /nfs/dbraw/zinc/80/84/55/569808455.db2.gz UXFNSIVRLFUZAV-UHFFFAOYSA-N 0 0 451.493 2.970 40 0 JFABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)Oc2ccccc21 ZINC000038854617 569809028 /nfs/dbraw/zinc/80/90/28/569809028.db2.gz MTCPCWMTDLRNSK-OAQYLSRUSA-N 0 0 457.552 2.915 40 0 JFABRN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(NS(=O)(=O)c4ccccc4)CC3)C2=O)cc1 ZINC000102405593 569812880 /nfs/dbraw/zinc/81/28/80/569812880.db2.gz IHYWKXVUVGHZNE-QFIPXVFZSA-N 0 0 471.579 2.550 40 0 JFABRN CCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000039986042 569813154 /nfs/dbraw/zinc/81/31/54/569813154.db2.gz RQEYKYWMNAXDHO-JXMROGBWSA-N 0 0 457.596 2.563 40 0 JFABRN O=C([C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000102674452 569815553 /nfs/dbraw/zinc/81/55/53/569815553.db2.gz ULXXPRBPEMHEDN-TYKWCNGQSA-N 0 0 489.576 2.671 40 0 JFABRN COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 ZINC000040390743 569825044 /nfs/dbraw/zinc/82/50/44/569825044.db2.gz BCTVOLUQBHHUAF-QGZVFWFLSA-N 0 0 459.506 2.714 40 0 JFABRN CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 ZINC000040390701 569825166 /nfs/dbraw/zinc/82/51/66/569825166.db2.gz YKVFIHFMCZLKLN-KRWDZBQOSA-N 0 0 459.506 2.796 40 0 JFABRN O=S(=O)(c1ccc(C2CCCCC2)cc1)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000104894468 569846663 /nfs/dbraw/zinc/84/66/63/569846663.db2.gz YKEMSXIOFBCAKL-QFIPXVFZSA-N 0 0 484.684 2.634 40 0 JFABRN COC(=O)COc1cc(Br)c(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC ZINC000105315819 569852775 /nfs/dbraw/zinc/85/27/75/569852775.db2.gz XFTBMUAOPDDFCJ-IUXPMGMMSA-N 0 0 475.320 2.780 40 0 JFABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCC(N)=O ZINC000106702825 569854861 /nfs/dbraw/zinc/85/48/61/569854861.db2.gz SOGOESOFQCVAQU-WQRHYEAKSA-N 0 0 455.492 2.624 40 0 JFABRN COC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)C1=O ZINC000106758045 569855605 /nfs/dbraw/zinc/85/56/05/569855605.db2.gz UOHWKONAHJWNSB-WQRHYEAKSA-N 0 0 456.476 2.922 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@@H](C)C(=O)OC)c(Cl)c3)C2=O)o1 ZINC000107766811 569857329 /nfs/dbraw/zinc/85/73/29/569857329.db2.gz AVTKIYSROWKJFS-GPILYODUSA-N 0 0 462.842 2.753 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000108030866 569858348 /nfs/dbraw/zinc/85/83/48/569858348.db2.gz BLZJWSMIEAGDRH-UHFFFAOYSA-N 0 0 471.623 2.544 40 0 JFABRN COc1cccc(N(CCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1 ZINC000113968031 569862758 /nfs/dbraw/zinc/86/27/58/569862758.db2.gz RCIHKQMWEKLVNG-UHFFFAOYSA-N 0 0 472.567 2.678 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(-n4ccnc4)cc3)C2)cc1 ZINC000115995448 569862790 /nfs/dbraw/zinc/86/27/90/569862790.db2.gz HPSPRRQSBVNGMY-LJQANCHMSA-N 0 0 454.552 2.598 40 0 JFABRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)C(C)=O)[C@@H]3C[C@H](OC(C)=O)[C@@]2(O)C1 ZINC000118935757 569864139 /nfs/dbraw/zinc/86/41/39/569864139.db2.gz CCRRWNAJAQSPHF-FSLLAFGSSA-N 0 0 450.572 2.937 40 0 JFABRN COc1ccc(NC(=O)[C@H](CCSC)NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000136540117 569864663 /nfs/dbraw/zinc/86/46/63/569864663.db2.gz PUAWZRLEUFTSBR-QKLQHJQFSA-N 0 0 470.595 2.746 40 0 JFABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1Cl ZINC000138921208 569866624 /nfs/dbraw/zinc/86/66/24/569866624.db2.gz VYLSFYMTRZVIMU-CYBMUJFWSA-N 0 0 464.305 2.977 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 ZINC000138974530 569866743 /nfs/dbraw/zinc/86/67/43/569866743.db2.gz BYBNSCNWZAIJJX-KRWDZBQOSA-N 0 0 484.505 2.805 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1cc(Cl)ccc1Cl ZINC000139002352 569866796 /nfs/dbraw/zinc/86/67/96/569866796.db2.gz JKRYOPUALVTFGE-CYBMUJFWSA-N 0 0 450.278 2.669 40 0 JFABRN COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 ZINC000139009450 569866823 /nfs/dbraw/zinc/86/68/23/569866823.db2.gz WKTIWFNYQIAQHB-GFCCVEGCSA-N 0 0 480.304 2.677 40 0 JFABRN COC(=O)COc1c(Br)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC ZINC000140554772 569867425 /nfs/dbraw/zinc/86/74/25/569867425.db2.gz QXWJTOBAILECRT-SXGWCWSVSA-N 0 0 475.320 2.780 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(O)c(OC)c2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169354992 569868211 /nfs/dbraw/zinc/86/82/11/569868211.db2.gz NXIQXVHLXVZLII-QTDDQOEGSA-N 0 0 484.574 2.824 40 0 JFABRN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O ZINC000205708519 569874240 /nfs/dbraw/zinc/87/42/40/569874240.db2.gz SYHJDFOJGQUGAP-VGOFMYFVSA-N 0 0 472.313 2.989 40 0 JFABRN CC(C)OC(=O)[C@@H](C)N[P@@](=O)(CO[C@@H](C)Cn1cnc2c1ncnc2N)Oc1ccccc1 ZINC000208827563 569875928 /nfs/dbraw/zinc/87/59/28/569875928.db2.gz LDEKQSIMHVQZJK-NKIZNCFLSA-N 0 0 476.474 2.973 40 0 JFABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OC ZINC000214672518 569876858 /nfs/dbraw/zinc/87/68/58/569876858.db2.gz LGSPJJVQRBGQJZ-XNTDXEJSSA-N 0 0 485.356 2.752 40 0 JFABRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCSCc2ccc(Cl)cc2Cl)C1 ZINC000216264897 569878061 /nfs/dbraw/zinc/87/80/61/569878061.db2.gz WWQCBNTYRPXCEC-CYBMUJFWSA-N 0 0 454.445 2.861 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cccc(CN2CCOCC2)c1 ZINC000216422988 569878766 /nfs/dbraw/zinc/87/87/66/569878766.db2.gz MUDRYWKHGOGXLI-UHFFFAOYSA-N 0 0 459.568 2.564 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCc2ccccc2C1)OCO3 ZINC000221965327 569883810 /nfs/dbraw/zinc/88/38/10/569883810.db2.gz HBZWGWGVYPXUBG-DVECYGJZSA-N 0 0 486.532 2.570 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222370634 569883958 /nfs/dbraw/zinc/88/39/58/569883958.db2.gz LATNNDNZGGHTEG-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222377760 569883982 /nfs/dbraw/zinc/88/39/82/569883982.db2.gz KEFDZILKCORJPJ-OAHLLOKOSA-N 0 0 469.966 2.717 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222392224 569884068 /nfs/dbraw/zinc/88/40/68/569884068.db2.gz RFSSZABUZAUCEM-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222393421 569884087 /nfs/dbraw/zinc/88/40/87/569884087.db2.gz KUDFIEXNJOURAU-KRWDZBQOSA-N 0 0 481.565 2.983 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222415446 569884191 /nfs/dbraw/zinc/88/41/91/569884191.db2.gz HLKSSIWLEKNSRO-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222438322 569884323 /nfs/dbraw/zinc/88/43/23/569884323.db2.gz NWDCYPVATLMFCI-QGZVFWFLSA-N 0 0 481.565 2.983 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222459307 569884384 /nfs/dbraw/zinc/88/43/84/569884384.db2.gz RCIJZMIGHKEIGZ-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222483913 569884691 /nfs/dbraw/zinc/88/46/91/569884691.db2.gz WHUIPSBJVADNJW-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000222504234 569884995 /nfs/dbraw/zinc/88/49/95/569884995.db2.gz SXJNAXSKANZPLD-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222580051 569886250 /nfs/dbraw/zinc/88/62/50/569886250.db2.gz MBSNJTSZDYLFBQ-TZRRMPRUSA-N 0 0 491.563 2.853 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3c(OC)cccc3OC)C2)cc1 ZINC000222585051 569886321 /nfs/dbraw/zinc/88/63/21/569886321.db2.gz HURZFOLJEUYYGE-QGZVFWFLSA-N 0 0 462.568 2.820 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000222597317 569886581 /nfs/dbraw/zinc/88/65/81/569886581.db2.gz XBWITEYNFCKITF-UHFFFAOYSA-N 0 0 459.568 2.952 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(CC(N)=O)cc3)CC2)cc1Cl ZINC000222602074 569886704 /nfs/dbraw/zinc/88/67/04/569886704.db2.gz DKCSEAJAEWNODN-UHFFFAOYSA-N 0 0 479.986 2.806 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000222605884 569886808 /nfs/dbraw/zinc/88/68/08/569886808.db2.gz MVHXQWOCXKEJML-QGZVFWFLSA-N 0 0 471.554 2.908 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222627686 569887262 /nfs/dbraw/zinc/88/72/62/569887262.db2.gz WNZJMOOGSPYYGC-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222636281 569887480 /nfs/dbraw/zinc/88/74/80/569887480.db2.gz QATJOTSISPQDIH-QFIPXVFZSA-N 0 0 492.617 2.771 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222654534 569887772 /nfs/dbraw/zinc/88/77/72/569887772.db2.gz MDSQJMMITDBIMF-IBGZPJMESA-N 0 0 474.627 2.631 40 0 JFABRN COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc(OC)c1OC ZINC000222654996 569887773 /nfs/dbraw/zinc/88/77/73/569887773.db2.gz OVGVDCWMCLVJIT-UHFFFAOYSA-N 0 0 480.583 2.684 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000222650605 569887801 /nfs/dbraw/zinc/88/78/01/569887801.db2.gz CVIHGMIEHOKBBM-SFHVURJKSA-N 0 0 487.622 2.987 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222665529 569887982 /nfs/dbraw/zinc/88/79/82/569887982.db2.gz RBUXOKZIMQURCE-SFHVURJKSA-N 0 0 492.617 2.771 40 0 JFABRN Cc1nc(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)n[nH]1 ZINC000222687353 569888550 /nfs/dbraw/zinc/88/85/50/569888550.db2.gz SGRYYYVRXNDUFT-UHFFFAOYSA-N 0 0 475.596 2.818 40 0 JFABRN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000222690812 569888674 /nfs/dbraw/zinc/88/86/74/569888674.db2.gz JRVBVIKQGBXMMT-AWEZNQCLSA-N 0 0 466.943 2.623 40 0 JFABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3n[nH]c(C)n3)cc2)cc1 ZINC000222704419 569889023 /nfs/dbraw/zinc/88/90/23/569889023.db2.gz LDPHNIJVZMXAAD-UHFFFAOYSA-N 0 0 491.595 2.600 40 0 JFABRN Cc1nc(SCCNC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)n[nH]1 ZINC000222707927 569889247 /nfs/dbraw/zinc/88/92/47/569889247.db2.gz YRVUHXYKTWFJHH-UHFFFAOYSA-N 0 0 487.607 2.542 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000222714238 569889329 /nfs/dbraw/zinc/88/93/29/569889329.db2.gz ZUUAEDSMMVZDKJ-LJQANCHMSA-N 0 0 459.612 2.861 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222717595 569889419 /nfs/dbraw/zinc/88/94/19/569889419.db2.gz CDUCJSLZWNMTGG-UHFFFAOYSA-N 0 0 464.540 2.984 40 0 JFABRN C[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000222739822 569889955 /nfs/dbraw/zinc/88/99/55/569889955.db2.gz SBFHRQMXXAAYTL-HNNXBMFYSA-N 0 0 486.421 2.918 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222745836 569890146 /nfs/dbraw/zinc/89/01/46/569890146.db2.gz KWBFBLNJRPTVME-CQSZACIVSA-N 0 0 472.394 2.923 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222766946 569890580 /nfs/dbraw/zinc/89/05/80/569890580.db2.gz XXKQVTDQNJEJFP-KFWWJZLASA-N 0 0 466.365 2.798 40 0 JFABRN COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc(OC)c1OC ZINC000222771837 569890737 /nfs/dbraw/zinc/89/07/37/569890737.db2.gz GEIQKRJROCFEAN-UHFFFAOYSA-N 0 0 492.594 2.843 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)c2ccccc2O1 ZINC000222783221 569890940 /nfs/dbraw/zinc/89/09/40/569890940.db2.gz RUMNWKKQEDYVBE-QFIPXVFZSA-N 0 0 488.562 2.516 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222797108 569891310 /nfs/dbraw/zinc/89/13/10/569891310.db2.gz XLMUDBUVMOOCIM-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000222798137 569891311 /nfs/dbraw/zinc/89/13/11/569891311.db2.gz UWJIUHXNFVQACC-GOSISDBHSA-N 0 0 483.590 2.778 40 0 JFABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCCSc1nc[nH]n1 ZINC000222800443 569891458 /nfs/dbraw/zinc/89/14/58/569891458.db2.gz NVUSLAZVPANQLW-UHFFFAOYSA-N 0 0 481.987 2.855 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)s1 ZINC000222800523 569891464 /nfs/dbraw/zinc/89/14/64/569891464.db2.gz GVRYWEIDBVLKFU-MRVPVSSYSA-N 0 0 499.423 2.903 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000222808553 569891649 /nfs/dbraw/zinc/89/16/49/569891649.db2.gz LSIFXNDSWSKFPD-GOSISDBHSA-N 0 0 489.638 2.922 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222810056 569891707 /nfs/dbraw/zinc/89/17/07/569891707.db2.gz JWYREUJJPGRGSN-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN C[C@@H](C(=O)NCc1ccccc1Cl)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222817071 569891848 /nfs/dbraw/zinc/89/18/48/569891848.db2.gz SKVWMIHJJKHJGS-HNNXBMFYSA-N 0 0 486.421 2.918 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222843409 569892477 /nfs/dbraw/zinc/89/24/77/569892477.db2.gz FRZHWWJMJGVKLD-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN Cc1nc(SCCNC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)n[nH]1 ZINC000222856758 569892882 /nfs/dbraw/zinc/89/28/82/569892882.db2.gz IKLZKLTWQGDFEV-MRXNPFEDSA-N 0 0 473.624 2.994 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222865113 569893032 /nfs/dbraw/zinc/89/30/32/569893032.db2.gz PADNCIQLJQUZKE-JOCHJYFZSA-N 0 0 475.611 2.793 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(I)cc1 ZINC000222865912 569893100 /nfs/dbraw/zinc/89/31/00/569893100.db2.gz IHLQPDIOIOMBJU-AWEZNQCLSA-N 0 0 482.318 2.842 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000222868596 569893122 /nfs/dbraw/zinc/89/31/22/569893122.db2.gz KVNUJGAFRMSGLJ-KRWDZBQOSA-N 0 0 463.575 2.610 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222875230 569893291 /nfs/dbraw/zinc/89/32/91/569893291.db2.gz TXAQBCKTAHBMBY-JOCHJYFZSA-N 0 0 493.601 2.932 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222875036 569893301 /nfs/dbraw/zinc/89/33/01/569893301.db2.gz UNQKJBYSMZKJMU-QGZVFWFLSA-N 0 0 463.575 2.924 40 0 JFABRN CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222878787 569893343 /nfs/dbraw/zinc/89/33/43/569893343.db2.gz BFWXIXNZCZRVIE-DEOSSOPVSA-N 0 0 493.585 2.638 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222886649 569893610 /nfs/dbraw/zinc/89/36/10/569893610.db2.gz GTIHZEWTNJGVAW-SFHVURJKSA-N 0 0 492.617 2.771 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222891247 569893727 /nfs/dbraw/zinc/89/37/27/569893727.db2.gz YAMLAHONTCODOD-KRWDZBQOSA-N 0 0 466.003 2.620 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222897029 569893810 /nfs/dbraw/zinc/89/38/10/569893810.db2.gz OUQASFYUGYWNGP-MRXNPFEDSA-N 0 0 489.569 2.692 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000222896003 569893817 /nfs/dbraw/zinc/89/38/17/569893817.db2.gz XCGYREZHOZFVDT-HNNXBMFYSA-N 0 0 486.421 2.965 40 0 JFABRN COc1ccc(C(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1S(=O)(=O)NC(C)C ZINC000222899945 569893866 /nfs/dbraw/zinc/89/38/66/569893866.db2.gz QQRRYXWEIDBPNL-UHFFFAOYSA-N 0 0 475.596 2.689 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222911826 569894136 /nfs/dbraw/zinc/89/41/36/569894136.db2.gz BHIGBXPCKDFUPK-FQEVSTJZSA-N 0 0 459.612 2.747 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222917170 569894319 /nfs/dbraw/zinc/89/43/19/569894319.db2.gz APRXEXJIOBQHTN-KRWDZBQOSA-N 0 0 481.018 2.506 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222928424 569894658 /nfs/dbraw/zinc/89/46/58/569894658.db2.gz ZBYMEFYZTLHPPZ-HSZRJFAPSA-N 0 0 488.654 2.674 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222936209 569894935 /nfs/dbraw/zinc/89/49/35/569894935.db2.gz BVXMMIKPSKMSBW-FQEVSTJZSA-N 0 0 489.638 2.790 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222937582 569894942 /nfs/dbraw/zinc/89/49/42/569894942.db2.gz ROVHGWLOHDRYSA-GOSISDBHSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222938401 569894949 /nfs/dbraw/zinc/89/49/49/569894949.db2.gz WPSYXQMPYLSIQA-QFIPXVFZSA-N 0 0 499.633 2.986 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222952296 569895279 /nfs/dbraw/zinc/89/52/79/569895279.db2.gz IYAIHTXVMQVTCA-SFHVURJKSA-N 0 0 463.575 2.762 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222956045 569895407 /nfs/dbraw/zinc/89/54/07/569895407.db2.gz GCLNOGNCYHGUGB-HNNXBMFYSA-N 0 0 499.992 2.807 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000222960829 569895495 /nfs/dbraw/zinc/89/54/95/569895495.db2.gz AWZNUPSZZHATFY-QGZVFWFLSA-N 0 0 463.575 2.708 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000222965430 569895667 /nfs/dbraw/zinc/89/56/67/569895667.db2.gz YITNGJXQEVDJPR-SFHVURJKSA-N 0 0 463.575 2.925 40 0 JFABRN CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1NC(C)=O ZINC000222967714 569895740 /nfs/dbraw/zinc/89/57/40/569895740.db2.gz FKJYWNIQIXAWED-UHFFFAOYSA-N 0 0 469.610 2.952 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222970093 569895792 /nfs/dbraw/zinc/89/57/92/569895792.db2.gz SNSZCYBZNOCRPD-IBGZPJMESA-N 0 0 492.617 2.609 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222974546 569895856 /nfs/dbraw/zinc/89/58/56/569895856.db2.gz XQHDOUKRWCWTOE-LJQANCHMSA-N 0 0 487.622 2.989 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222984169 569896136 /nfs/dbraw/zinc/89/61/36/569896136.db2.gz NRUQZVFXSJXNRE-LJQANCHMSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000222985243 569896215 /nfs/dbraw/zinc/89/62/15/569896215.db2.gz GEXCPINCDKFPMC-NRFANRHFSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000222985882 569896222 /nfs/dbraw/zinc/89/62/22/569896222.db2.gz ZUQQWVQTGBXBLI-OAQYLSRUSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223028520 569897170 /nfs/dbraw/zinc/89/71/70/569897170.db2.gz RYSSCEBPPGKECR-NRFANRHFSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223029287 569897230 /nfs/dbraw/zinc/89/72/30/569897230.db2.gz LRVYGNBVZWUBBM-LJQANCHMSA-N 0 0 466.003 2.968 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)NC)S(C)(=O)=O ZINC000223030254 569897284 /nfs/dbraw/zinc/89/72/84/569897284.db2.gz YKTRTSWCBRMDOY-FQEVSTJZSA-N 0 0 475.611 2.713 40 0 JFABRN O=C(NCCc1ccccc1)[C@H]1CN(C(=O)c2cnc3sccn3c2=O)c2ccccc2O1 ZINC000223035465 569897444 /nfs/dbraw/zinc/89/74/44/569897444.db2.gz AIMFBQVMGAXVJT-HXUWFJFHSA-N 0 0 460.515 2.523 40 0 JFABRN CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000223044203 569897611 /nfs/dbraw/zinc/89/76/11/569897611.db2.gz DGEIPRGPSPKBRV-HSZRJFAPSA-N 0 0 473.639 2.824 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223045361 569897632 /nfs/dbraw/zinc/89/76/32/569897632.db2.gz KVGCOVRZVWIGHM-JOCHJYFZSA-N 0 0 488.654 2.778 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223069921 569898486 /nfs/dbraw/zinc/89/84/86/569898486.db2.gz QBLFAXZHZPDUOL-SFHVURJKSA-N 0 0 475.611 2.793 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)s1 ZINC000223075765 569898672 /nfs/dbraw/zinc/89/86/72/569898672.db2.gz LKADHNBKVIYFOX-UHFFFAOYSA-N 0 0 496.567 2.776 40 0 JFABRN COc1ccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223084651 569898970 /nfs/dbraw/zinc/89/89/70/569898970.db2.gz CSRIIHLVXVKVLI-UIFIKXQLSA-N 0 0 469.582 2.668 40 0 JFABRN COc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223084499 569898987 /nfs/dbraw/zinc/89/89/87/569898987.db2.gz YJOFKSWSDPBXKE-IBGZPJMESA-N 0 0 489.638 2.956 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccc(Br)c2)no1)Cc1ccccc1 ZINC000223107240 569899665 /nfs/dbraw/zinc/89/96/65/569899665.db2.gz KMYIOZSFCQPSFL-UHFFFAOYSA-N 0 0 479.356 2.577 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223116300 569899861 /nfs/dbraw/zinc/89/98/61/569899861.db2.gz XLYNUDNWAXDJIF-FQEVSTJZSA-N 0 0 488.654 2.674 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223120318 569900030 /nfs/dbraw/zinc/90/00/30/569900030.db2.gz WKRZGXZIMHGNNL-LJQANCHMSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223123410 569900167 /nfs/dbraw/zinc/90/01/67/569900167.db2.gz LLZDXZBERKCBCB-SFHVURJKSA-N 0 0 469.966 2.799 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223125016 569900233 /nfs/dbraw/zinc/90/02/33/569900233.db2.gz URVDZVHKXLDBTG-NRFANRHFSA-N 0 0 488.654 2.941 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223131731 569900525 /nfs/dbraw/zinc/90/05/25/569900525.db2.gz WETYAZPSMIIKED-OAQYLSRUSA-N 0 0 494.013 2.862 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223133906 569900573 /nfs/dbraw/zinc/90/05/73/569900573.db2.gz VXLDVTJYCKPGIF-IBGZPJMESA-N 0 0 487.956 2.938 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223140299 569900871 /nfs/dbraw/zinc/90/08/71/569900871.db2.gz VWHUPSHYZSIUHE-FQEVSTJZSA-N 0 0 466.003 2.822 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223142021 569900918 /nfs/dbraw/zinc/90/09/18/569900918.db2.gz FFKSXXBFKUNZMT-LJQANCHMSA-N 0 0 499.008 2.645 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223157877 569901468 /nfs/dbraw/zinc/90/14/68/569901468.db2.gz OYCGXLWTFOXBPI-IBGZPJMESA-N 0 0 471.579 2.553 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223165024 569901642 /nfs/dbraw/zinc/90/16/42/569901642.db2.gz ISHDPIIVLKXYDL-IBGZPJMESA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223165087 569901648 /nfs/dbraw/zinc/90/16/48/569901648.db2.gz ISHDPIIVLKXYDL-LJQANCHMSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223171981 569901955 /nfs/dbraw/zinc/90/19/55/569901955.db2.gz RHZYVJICFJZCOS-HXUWFJFHSA-N 0 0 485.606 2.943 40 0 JFABRN COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223181144 569902358 /nfs/dbraw/zinc/90/23/58/569902358.db2.gz HYGNQCNXGZWWCY-GOTSBHOMSA-N 0 0 457.644 2.841 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 ZINC000223197953 569903097 /nfs/dbraw/zinc/90/30/97/569903097.db2.gz LQGLSHITAGBSHU-HXUWFJFHSA-N 0 0 488.566 2.957 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223209762 569903564 /nfs/dbraw/zinc/90/35/64/569903564.db2.gz CLIGDHKCLVQRPF-FQEVSTJZSA-N 0 0 463.575 2.762 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)s1 ZINC000223269181 569905469 /nfs/dbraw/zinc/90/54/69/569905469.db2.gz OAMVVDGXXXBUAF-UHFFFAOYSA-N 0 0 485.396 2.515 40 0 JFABRN O=C(Nc1nnc(S(=O)(=O)[N-]CCC[NH+]2CCCCCC2)s1)c1ccccc1Cl ZINC000223264685 569905358 /nfs/dbraw/zinc/90/53/58/569905358.db2.gz SDAHRPYOTZWZDQ-UHFFFAOYSA-N 0 0 458.009 2.988 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223266277 569905452 /nfs/dbraw/zinc/90/54/52/569905452.db2.gz VWQZNXDUASBTEG-IBGZPJMESA-N 0 0 492.617 2.772 40 0 JFABRN CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223296663 569906528 /nfs/dbraw/zinc/90/65/28/569906528.db2.gz PYADWFGLSFPTBH-VWLOTQADSA-N 0 0 479.602 2.964 40 0 JFABRN COc1ccc(CNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c(OC)c1OC ZINC000223307688 569906780 /nfs/dbraw/zinc/90/67/80/569906780.db2.gz SYIVEJJJTDUQGN-UHFFFAOYSA-N 0 0 472.510 2.853 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223307487 569906793 /nfs/dbraw/zinc/90/67/93/569906793.db2.gz ZXKRFWNYGYMNCR-QGZVFWFLSA-N 0 0 498.388 2.691 40 0 JFABRN Cc1ccc(CN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(C)(=O)=O)cc1 ZINC000223353719 569908388 /nfs/dbraw/zinc/90/83/88/569908388.db2.gz IUIUJLXZRSDDLK-UHFFFAOYSA-N 0 0 455.536 2.918 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000223390180 569909672 /nfs/dbraw/zinc/90/96/72/569909672.db2.gz QWUQDTLQQVFKHK-FQEVSTJZSA-N 0 0 496.029 2.976 40 0 JFABRN CCOC(=O)N1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)CC1 ZINC000223394622 569909764 /nfs/dbraw/zinc/90/97/64/569909764.db2.gz QGXNZGORSFUTMW-UHFFFAOYSA-N 0 0 494.382 2.560 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223410135 569910331 /nfs/dbraw/zinc/91/03/31/569910331.db2.gz OBLTZCIVEIQAJQ-FQEVSTJZSA-N 0 0 482.002 2.523 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000223412187 569910454 /nfs/dbraw/zinc/91/04/54/569910454.db2.gz FMSLCYMHYGXSOF-NRFANRHFSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223428770 569911061 /nfs/dbraw/zinc/91/10/61/569911061.db2.gz RXDJDZQKFNMFHM-IBGZPJMESA-N 0 0 489.569 2.692 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223430593 569911108 /nfs/dbraw/zinc/91/11/08/569911108.db2.gz HXXIHGLEFCWIIQ-OAQYLSRUSA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223431193 569911160 /nfs/dbraw/zinc/91/11/60/569911160.db2.gz KLGYXXYTZRGOFV-LJQANCHMSA-N 0 0 482.002 2.668 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223437457 569911390 /nfs/dbraw/zinc/91/13/90/569911390.db2.gz MXQZTPQXOYBFRE-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223437403 569911411 /nfs/dbraw/zinc/91/14/11/569911411.db2.gz MXQZTPQXOYBFRE-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223441035 569911517 /nfs/dbraw/zinc/91/15/17/569911517.db2.gz OYTKHFAKZWTPHY-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN COc1ccccc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl ZINC000223446402 569911668 /nfs/dbraw/zinc/91/16/68/569911668.db2.gz DGJVJCPKCDXAPC-OAHLLOKOSA-N 0 0 451.976 2.776 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000223467105 569912266 /nfs/dbraw/zinc/91/22/66/569912266.db2.gz WBSLZQDZHPCARY-UHFFFAOYSA-N 0 0 485.606 2.856 40 0 JFABRN CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)NC)S(C)(=O)=O ZINC000223473924 569912518 /nfs/dbraw/zinc/91/25/18/569912518.db2.gz GLKMMEJZDCARPX-NRFANRHFSA-N 0 0 459.612 2.611 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223493376 569913391 /nfs/dbraw/zinc/91/33/91/569913391.db2.gz BYWARDDHEZELIZ-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223528349 569914635 /nfs/dbraw/zinc/91/46/35/569914635.db2.gz RJBYJLJAAOYYCE-HNNXBMFYSA-N 0 0 469.966 2.799 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223531954 569914816 /nfs/dbraw/zinc/91/48/16/569914816.db2.gz AQWZXATVEGMZJQ-LJQANCHMSA-N 0 0 477.602 2.968 40 0 JFABRN COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)NCc2ccco2)c2ccccc2)cc1 ZINC000223538573 569915168 /nfs/dbraw/zinc/91/51/68/569915168.db2.gz OCUIWVSTDKAFBN-XMMPIXPASA-N 0 0 499.589 2.566 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223542029 569915297 /nfs/dbraw/zinc/91/52/97/569915297.db2.gz FMZWIGAOHPLRAH-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223542084 569915334 /nfs/dbraw/zinc/91/53/34/569915334.db2.gz FMZWIGAOHPLRAH-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223552225 569915704 /nfs/dbraw/zinc/91/57/04/569915704.db2.gz ZKKNVUSGIIGVRN-HXUWFJFHSA-N 0 0 499.633 2.987 40 0 JFABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCCN2CCOCC2)c2ccccc2)cc1 ZINC000223557367 569915906 /nfs/dbraw/zinc/91/59/06/569915906.db2.gz PQYLMVWXQHOCEQ-XMMPIXPASA-N 0 0 453.583 2.870 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223562663 569916178 /nfs/dbraw/zinc/91/61/78/569916178.db2.gz JGOFLGITXREJGZ-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1OC ZINC000223586792 569917056 /nfs/dbraw/zinc/91/70/56/569917056.db2.gz QSFFDARPSITICW-UHFFFAOYSA-N 0 0 489.594 2.979 40 0 JFABRN CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(OC)c(C)c1 ZINC000223600797 569917423 /nfs/dbraw/zinc/91/74/23/569917423.db2.gz GRCMUPCMBTWEPR-JOCHJYFZSA-N 0 0 459.612 2.962 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223607770 569917738 /nfs/dbraw/zinc/91/77/38/569917738.db2.gz FHRIQGFQTIJTIY-LJQANCHMSA-N 0 0 459.612 2.877 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223610290 569917863 /nfs/dbraw/zinc/91/78/63/569917863.db2.gz BVGQYKNPLKXLKW-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)c1 ZINC000223617518 569918041 /nfs/dbraw/zinc/91/80/41/569918041.db2.gz QFTMWJHIWJATIG-UHFFFAOYSA-N 0 0 467.887 2.672 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCOc1ccc2ccccc2c1 ZINC000223629928 569918387 /nfs/dbraw/zinc/91/83/87/569918387.db2.gz LYSZKRVFTFJFJW-UHFFFAOYSA-N 0 0 467.591 2.893 40 0 JFABRN CCc1ccc(OCCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000223643100 569918739 /nfs/dbraw/zinc/91/87/39/569918739.db2.gz UANHZPGGENKSKQ-UHFFFAOYSA-N 0 0 455.374 2.973 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223652340 569919011 /nfs/dbraw/zinc/91/90/11/569919011.db2.gz SOSYOMSGKXIJAD-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223652695 569919018 /nfs/dbraw/zinc/91/90/18/569919018.db2.gz GOSNMCDOCDWUPI-KRWDZBQOSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223654779 569919123 /nfs/dbraw/zinc/91/91/23/569919123.db2.gz JXDATRNFXBNOSM-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN CCCc1ccc(OCCNC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 ZINC000223658304 569919245 /nfs/dbraw/zinc/91/92/45/569919245.db2.gz GJVOQKZXAJDPCI-UHFFFAOYSA-N 0 0 450.557 2.618 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223705926 569920560 /nfs/dbraw/zinc/92/05/60/569920560.db2.gz PFOLGWMOPQPNHM-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000223720943 569921111 /nfs/dbraw/zinc/92/11/11/569921111.db2.gz OEUPOTPCQMFQSD-UHFFFAOYSA-N 0 0 462.538 2.723 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223739657 569921695 /nfs/dbraw/zinc/92/16/95/569921695.db2.gz ITDCCGGSJQIGCH-INIZCTEOSA-N 0 0 451.976 2.659 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223743146 569921888 /nfs/dbraw/zinc/92/18/88/569921888.db2.gz CYIVUVHUSMGJSG-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223749423 569922006 /nfs/dbraw/zinc/92/20/06/569922006.db2.gz ZBKXRARYXRSDFQ-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223751300 569922117 /nfs/dbraw/zinc/92/21/17/569922117.db2.gz IYJOFXCMTPELRK-INIZCTEOSA-N 0 0 494.013 2.862 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223785989 569923290 /nfs/dbraw/zinc/92/32/90/569923290.db2.gz RAYYFMRXXFKIDP-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccccc2C(C)C)cc1OC ZINC000223835117 569924712 /nfs/dbraw/zinc/92/47/12/569924712.db2.gz USESFQHWWJVQCX-UHFFFAOYSA-N 0 0 450.557 2.643 40 0 JFABRN CC(C)Sc1nnc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 ZINC000223847372 569924966 /nfs/dbraw/zinc/92/49/66/569924966.db2.gz SRQGTJRHVCWFFN-LLVKDONJSA-N 0 0 458.587 2.603 40 0 JFABRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000223849883 569925055 /nfs/dbraw/zinc/92/50/55/569925055.db2.gz AJCCYRJQZASIBE-INIZCTEOSA-N 0 0 450.582 2.674 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223859170 569925355 /nfs/dbraw/zinc/92/53/55/569925355.db2.gz ZOFQUYNIKSIYAX-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000223865869 569925572 /nfs/dbraw/zinc/92/55/72/569925572.db2.gz XDKFIVLEZXPJQP-MRXNPFEDSA-N 0 0 482.599 2.648 40 0 JFABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000223867260 569925624 /nfs/dbraw/zinc/92/56/24/569925624.db2.gz QDNVCILTQHUNII-DENIHFKCSA-N 0 0 492.663 2.942 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223868677 569925662 /nfs/dbraw/zinc/92/56/62/569925662.db2.gz AEQZUTUWFJQSJW-QGZVFWFLSA-N 0 0 491.585 2.738 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223874222 569925826 /nfs/dbraw/zinc/92/58/26/569925826.db2.gz SAPCBSHXGZRTNI-KRWDZBQOSA-N 0 0 496.580 2.521 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223877119 569925959 /nfs/dbraw/zinc/92/59/59/569925959.db2.gz STSLFYKJRVWGQL-GOSISDBHSA-N 0 0 463.575 2.698 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223891358 569926395 /nfs/dbraw/zinc/92/63/95/569926395.db2.gz QKRNSLQWGXZAQB-YWZLYKJASA-N 0 0 468.597 2.521 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000223893646 569926518 /nfs/dbraw/zinc/92/65/18/569926518.db2.gz XTSMNRWQDIMZCP-UHFFFAOYSA-N 0 0 478.958 2.898 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223901038 569926680 /nfs/dbraw/zinc/92/66/80/569926680.db2.gz VRSGVRPKXMYSJI-CYBMUJFWSA-N 0 0 498.388 2.691 40 0 JFABRN COc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(OC)c1 ZINC000223915404 569927139 /nfs/dbraw/zinc/92/71/39/569927139.db2.gz ILHSAWVCBVQURY-UHFFFAOYSA-N 0 0 450.513 2.660 40 0 JFABRN CSc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1C(=O)N1CCOCC1 ZINC000223940915 569927872 /nfs/dbraw/zinc/92/78/72/569927872.db2.gz LHTBDJADDHHJBH-UHFFFAOYSA-N 0 0 464.609 2.855 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000223982215 569929316 /nfs/dbraw/zinc/92/93/16/569929316.db2.gz KGVBWBSPAPEXDA-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN COc1ccccc1OCCNC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000224012083 569930448 /nfs/dbraw/zinc/93/04/48/569930448.db2.gz SFHNUTCOYBPBCP-AWEZNQCLSA-N 0 0 456.948 2.707 40 0 JFABRN COc1ccccc1OCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000223995546 569929813 /nfs/dbraw/zinc/92/98/13/569929813.db2.gz OYWATKVOXYKBSO-QHCPKHFHSA-N 0 0 468.531 2.847 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224001844 569930020 /nfs/dbraw/zinc/93/00/20/569930020.db2.gz IHGGAGBDDYDHNW-MRXNPFEDSA-N 0 0 482.002 2.523 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCCCOC1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000224021336 569930784 /nfs/dbraw/zinc/93/07/84/569930784.db2.gz SJLDBEOENUINOA-UHFFFAOYSA-N 0 0 454.589 2.860 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224021586 569930854 /nfs/dbraw/zinc/93/08/54/569930854.db2.gz FGXYDMZPGMCIMW-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000224024494 569930943 /nfs/dbraw/zinc/93/09/43/569930943.db2.gz WPTLFHACUMONAX-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(SC)cc3)n2)cc1 ZINC000224024803 569930999 /nfs/dbraw/zinc/93/09/99/569930999.db2.gz GNWAFWMHWPFKQV-UHFFFAOYSA-N 0 0 476.580 2.746 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000224025185 569931023 /nfs/dbraw/zinc/93/10/23/569931023.db2.gz BPKYVYFSCPOPHX-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000224038335 569931489 /nfs/dbraw/zinc/93/14/89/569931489.db2.gz OBZIFSWITNAXGW-OAQYLSRUSA-N 0 0 461.584 2.597 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000224040247 569931531 /nfs/dbraw/zinc/93/15/31/569931531.db2.gz DDBNAJFSFKDMAI-KRWDZBQOSA-N 0 0 451.523 2.625 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000224043677 569931581 /nfs/dbraw/zinc/93/15/81/569931581.db2.gz LOJRZRXOFFWQBI-LJQANCHMSA-N 0 0 475.611 2.649 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224064844 569932144 /nfs/dbraw/zinc/93/21/44/569932144.db2.gz SWHPSKHUHVHLFU-QGZVFWFLSA-N 0 0 466.003 2.702 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224071403 569932417 /nfs/dbraw/zinc/93/24/17/569932417.db2.gz ITHVGLYQDWMZMV-LJQANCHMSA-N 0 0 459.612 2.611 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224079377 569932620 /nfs/dbraw/zinc/93/26/20/569932620.db2.gz UEKNCSMHFOHVKA-LJQANCHMSA-N 0 0 477.602 2.968 40 0 JFABRN COc1cc(N(CC(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)c(OC)cc1Cl ZINC000224099024 569933159 /nfs/dbraw/zinc/93/31/59/569933159.db2.gz SRUUWFLRYMZVPH-UHFFFAOYSA-N 0 0 470.975 2.935 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224106479 569933365 /nfs/dbraw/zinc/93/33/65/569933365.db2.gz UACAXIKGVSGQEU-IBGZPJMESA-N 0 0 497.617 2.740 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000224122689 569933879 /nfs/dbraw/zinc/93/38/79/569933879.db2.gz VCOKTZNHTFYLTN-JOCHJYFZSA-N 0 0 488.654 2.860 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C ZINC000224129091 569934065 /nfs/dbraw/zinc/93/40/65/569934065.db2.gz ZNRJOSOBKBHRGA-NRFANRHFSA-N 0 0 488.654 2.797 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000224190633 569935853 /nfs/dbraw/zinc/93/58/53/569935853.db2.gz ATNHKQIOXJUNMC-UHFFFAOYSA-N 0 0 451.564 2.931 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224197832 569936102 /nfs/dbraw/zinc/93/61/02/569936102.db2.gz RLWVFVSMMIZLSR-NRFANRHFSA-N 0 0 463.575 2.844 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224203430 569936370 /nfs/dbraw/zinc/93/63/70/569936370.db2.gz RUWXRMOWFXHAOL-HXUWFJFHSA-N 0 0 475.611 2.713 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(OCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000224221334 569937040 /nfs/dbraw/zinc/93/70/40/569937040.db2.gz NTVHRYVJNGMBLU-UHFFFAOYSA-N 0 0 453.369 2.601 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000224222795 569937088 /nfs/dbraw/zinc/93/70/88/569937088.db2.gz LCZGKVNBJDRKGO-UHFFFAOYSA-N 0 0 488.591 2.806 40 0 JFABRN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1 ZINC000224228401 569937228 /nfs/dbraw/zinc/93/72/28/569937228.db2.gz NRUKHEGBXHIMPR-UHFFFAOYSA-N 0 0 457.581 2.605 40 0 JFABRN COc1ccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000224231075 569937377 /nfs/dbraw/zinc/93/73/77/569937377.db2.gz RPJJEHLIMNDNQP-XMMPIXPASA-N 0 0 482.558 2.988 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(OCCNC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000224234839 569937488 /nfs/dbraw/zinc/93/74/88/569937488.db2.gz AHJOHSJBXQEYLY-UHFFFAOYSA-N 0 0 491.791 2.927 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224241581 569937752 /nfs/dbraw/zinc/93/77/52/569937752.db2.gz FWHSZBJCQCFGAK-HXUWFJFHSA-N 0 0 463.575 2.844 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)s1 ZINC000224243360 569937891 /nfs/dbraw/zinc/93/78/91/569937891.db2.gz CXBMRBYQBVSZSV-UHFFFAOYSA-N 0 0 484.606 2.942 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000224245245 569937934 /nfs/dbraw/zinc/93/79/34/569937934.db2.gz UBWCOLGILCVOSH-BUXKBTBVSA-N 0 0 454.932 2.762 40 0 JFABRN COc1cccc(N(CCCC(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 ZINC000224248936 569938070 /nfs/dbraw/zinc/93/80/70/569938070.db2.gz IPLHNPXBYDCNKD-UHFFFAOYSA-N 0 0 458.540 2.950 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224251807 569938177 /nfs/dbraw/zinc/93/81/77/569938177.db2.gz CTXSUSCHOMQQHJ-NRFANRHFSA-N 0 0 481.565 2.983 40 0 JFABRN COc1cccc(N(CCCC(=O)NCc2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)c1 ZINC000224273755 569938888 /nfs/dbraw/zinc/93/88/88/569938888.db2.gz UKLMUGJXIFGWHS-UHFFFAOYSA-N 0 0 466.556 2.584 40 0 JFABRN COc1ccc(/C=C/C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC ZINC000224276391 569938954 /nfs/dbraw/zinc/93/89/54/569938954.db2.gz IBPDJIDKRXNGOB-WUXMJOGZSA-N 0 0 460.552 2.697 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224292305 569939557 /nfs/dbraw/zinc/93/95/57/569939557.db2.gz SFKFLSMDSIASTE-KRWDZBQOSA-N 0 0 481.565 2.920 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224304140 569939879 /nfs/dbraw/zinc/93/98/79/569939879.db2.gz RUIYYOPRVWXIOV-IBGZPJMESA-N 0 0 491.997 2.818 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCc1ccc(C)cc1 ZINC000224324015 569940617 /nfs/dbraw/zinc/94/06/17/569940617.db2.gz YTNJGHTUUKRKKG-UHFFFAOYSA-N 0 0 460.596 2.706 40 0 JFABRN COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(C)C ZINC000224328602 569940851 /nfs/dbraw/zinc/94/08/51/569940851.db2.gz OYKLEQXJEORECA-UHFFFAOYSA-N 0 0 482.624 2.960 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224342504 569941261 /nfs/dbraw/zinc/94/12/61/569941261.db2.gz FKQNDQBNBQPKGJ-ZCNNSNEGSA-N 0 0 459.974 2.925 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224365601 569942097 /nfs/dbraw/zinc/94/20/97/569942097.db2.gz WXRWGUKLMYUYPR-FQEVSTJZSA-N 0 0 463.575 2.844 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224367300 569942218 /nfs/dbraw/zinc/94/22/18/569942218.db2.gz BAJUYVRWBKXRIA-OAQYLSRUSA-N 0 0 479.574 2.544 40 0 JFABRN CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000224379095 569942549 /nfs/dbraw/zinc/94/25/49/569942549.db2.gz JLRVKKLUELVRSW-UHFFFAOYSA-N 0 0 470.638 2.940 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224378783 569942585 /nfs/dbraw/zinc/94/25/85/569942585.db2.gz ZKQLYZBWDCLAKO-HXUWFJFHSA-N 0 0 485.528 2.813 40 0 JFABRN C[C@H](C(=O)NCc1ccc(CN2CCCC2=O)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224384320 569942736 /nfs/dbraw/zinc/94/27/36/569942736.db2.gz COYHMGCWZMPLKS-OAHLLOKOSA-N 0 0 465.522 2.558 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224385836 569942790 /nfs/dbraw/zinc/94/27/90/569942790.db2.gz HVWLEEFZWORHOG-HXUWFJFHSA-N 0 0 496.580 2.521 40 0 JFABRN COc1cccc(O[C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000224399082 569943242 /nfs/dbraw/zinc/94/32/42/569943242.db2.gz AGLDAOULELYFET-GOSISDBHSA-N 0 0 462.568 2.832 40 0 JFABRN CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000224406510 569943641 /nfs/dbraw/zinc/94/36/41/569943641.db2.gz GZAPXXAUSGZJCW-UHFFFAOYSA-N 0 0 456.509 2.661 40 0 JFABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cn2ccnc2)cc1 ZINC000224422369 569944053 /nfs/dbraw/zinc/94/40/53/569944053.db2.gz OIUJQHGGCXGJIG-UHFFFAOYSA-N 0 0 468.579 2.915 40 0 JFABRN Cc1cc(C)cc(CSCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000224431294 569944301 /nfs/dbraw/zinc/94/43/01/569944301.db2.gz KKLBWLCUTCWNOF-UHFFFAOYSA-N 0 0 478.636 2.753 40 0 JFABRN CCCSc1nnc(NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)s1 ZINC000224445169 569944729 /nfs/dbraw/zinc/94/47/29/569944729.db2.gz SMOOBISNNLMPBJ-NSHDSACASA-N 0 0 460.603 2.851 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224464897 569945302 /nfs/dbraw/zinc/94/53/02/569945302.db2.gz IEOXZDAPHPXXID-SFHVURJKSA-N 0 0 493.601 2.790 40 0 JFABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224476285 569945640 /nfs/dbraw/zinc/94/56/40/569945640.db2.gz KLNQOUAXLHUNEY-JOCHJYFZSA-N 0 0 476.595 2.677 40 0 JFABRN COc1ccccc1OCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000224490352 569946032 /nfs/dbraw/zinc/94/60/32/569946032.db2.gz FQTZNLLFCFLJAQ-NRFANRHFSA-N 0 0 462.568 2.715 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224495472 569946292 /nfs/dbraw/zinc/94/62/92/569946292.db2.gz ISDAZMVPNSXOSL-LJQANCHMSA-N 0 0 477.602 2.824 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224549037 569948069 /nfs/dbraw/zinc/94/80/69/569948069.db2.gz YMAQXZXGJDHZRD-NRFANRHFSA-N 0 0 496.029 2.913 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1cccc2ccccc21 ZINC000224550177 569948129 /nfs/dbraw/zinc/94/81/29/569948129.db2.gz KIYYIQPWUCAKNC-UHFFFAOYSA-N 0 0 467.591 2.754 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224567046 569948762 /nfs/dbraw/zinc/94/87/62/569948762.db2.gz RRLNGFOXNYLQEA-JOCHJYFZSA-N 0 0 475.611 2.713 40 0 JFABRN CN(c1ccc(OCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1)S(C)(=O)=O ZINC000224567985 569948823 /nfs/dbraw/zinc/94/88/23/569948823.db2.gz YEBJHIJTWASVGU-UHFFFAOYSA-N 0 0 495.355 2.590 40 0 JFABRN CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(CN4CCOCC4)cc3)c2)CC1 ZINC000224576896 569949202 /nfs/dbraw/zinc/94/92/02/569949202.db2.gz DXODWNYKQWQGOY-UHFFFAOYSA-N 0 0 471.623 2.869 40 0 JFABRN Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000224578426 569949285 /nfs/dbraw/zinc/94/92/85/569949285.db2.gz AGJCNZNZXSXAGM-SFHVURJKSA-N 0 0 480.030 2.952 40 0 JFABRN CC[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224579182 569949330 /nfs/dbraw/zinc/94/93/30/569949330.db2.gz OVIRRWFDCGURDU-QHCPKHFHSA-N 0 0 459.612 2.688 40 0 JFABRN Cc1cc(C)cc(N(CCCC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224581444 569949439 /nfs/dbraw/zinc/94/94/39/569949439.db2.gz LFDXRWXJMRPRCC-UHFFFAOYSA-N 0 0 473.639 2.998 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224605956 569950409 /nfs/dbraw/zinc/95/04/09/569950409.db2.gz RPGQWUYKLGSDCA-JOCHJYFZSA-N 0 0 459.612 2.747 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000224656023 569952426 /nfs/dbraw/zinc/95/24/26/569952426.db2.gz MIZBEMXGRUQLHZ-OAQYLSRUSA-N 0 0 488.654 2.860 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224664272 569952783 /nfs/dbraw/zinc/95/27/83/569952783.db2.gz MAVABRULCCOVGB-KRWDZBQOSA-N 0 0 496.580 2.520 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224690430 569953653 /nfs/dbraw/zinc/95/36/53/569953653.db2.gz YVMZFIXNFKXJNW-KRWDZBQOSA-N 0 0 481.565 2.983 40 0 JFABRN COc1ccc(N(CCCC(=O)NCCOc2ccccc2C)S(C)(=O)=O)c(OC)c1 ZINC000224710481 569954443 /nfs/dbraw/zinc/95/44/43/569954443.db2.gz AIQRSMBCVJRLGS-UHFFFAOYSA-N 0 0 450.557 2.754 40 0 JFABRN CCOc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1OCC ZINC000224722181 569954784 /nfs/dbraw/zinc/95/47/84/569954784.db2.gz ISQJSMCCXNPZJB-MRXNPFEDSA-N 0 0 450.557 2.991 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1C(=O)N1CCCCC1 ZINC000224725699 569954878 /nfs/dbraw/zinc/95/48/78/569954878.db2.gz KVPVHRQCVMVIMJ-UHFFFAOYSA-N 0 0 487.622 2.632 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccc(F)cc1 ZINC000224729530 569955070 /nfs/dbraw/zinc/95/50/70/569955070.db2.gz HEZLYGRPOLMPKQ-UHFFFAOYSA-N 0 0 463.575 2.521 40 0 JFABRN O=C(NCc1cccc(CN2CCOCC2)c1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000224731668 569955195 /nfs/dbraw/zinc/95/51/95/569955195.db2.gz KCQXPFUNPCPDLK-UHFFFAOYSA-N 0 0 499.677 2.810 40 0 JFABRN CC[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224734658 569955345 /nfs/dbraw/zinc/95/53/45/569955345.db2.gz BNXVGBOXNGPHKF-QFIPXVFZSA-N 0 0 463.575 2.519 40 0 JFABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)c1 ZINC000224736639 569955459 /nfs/dbraw/zinc/95/54/59/569955459.db2.gz PRVCZWIBUJGXRX-UHFFFAOYSA-N 0 0 485.650 2.685 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 ZINC000224743885 569955730 /nfs/dbraw/zinc/95/57/30/569955730.db2.gz VNNPIJKLQFKFGO-OAHLLOKOSA-N 0 0 474.539 2.567 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224754732 569956095 /nfs/dbraw/zinc/95/60/95/569956095.db2.gz BJJOLAWDOBUDBD-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224759967 569956431 /nfs/dbraw/zinc/95/64/31/569956431.db2.gz QCZLUPKZOBLLQS-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224762923 569956597 /nfs/dbraw/zinc/95/65/97/569956597.db2.gz ICIPMAURBQOLPC-FQEVSTJZSA-N 0 0 474.627 2.551 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1nnc(SC(C)C)s1)c1ccc2c(c1)OCCO2 ZINC000224810048 569958560 /nfs/dbraw/zinc/95/85/60/569958560.db2.gz UYURSMOTAILOAU-UHFFFAOYSA-N 0 0 458.587 2.605 40 0 JFABRN Cc1ccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 ZINC000224816522 569958929 /nfs/dbraw/zinc/95/89/29/569958929.db2.gz NDVALWVEEYFRHU-UHFFFAOYSA-N 0 0 462.568 2.816 40 0 JFABRN CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000224824165 569959284 /nfs/dbraw/zinc/95/92/84/569959284.db2.gz YHYWBIOXAYCMMZ-INIZCTEOSA-N 0 0 480.593 2.624 40 0 JFABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 ZINC000224903309 569962645 /nfs/dbraw/zinc/96/26/45/569962645.db2.gz DVRNURLOULHZPE-INIZCTEOSA-N 0 0 458.540 2.867 40 0 JFABRN Cc1ccc(NC(=O)c2cccc(I)c2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000224966172 569965681 /nfs/dbraw/zinc/96/56/81/569965681.db2.gz CIOAEGJCMIKVNL-UHFFFAOYSA-N 0 0 499.374 2.788 40 0 JFABRN CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000408594816 569965759 /nfs/dbraw/zinc/96/57/59/569965759.db2.gz CFNAHHCOBINBNS-UHFFFAOYSA-N 0 0 497.577 2.797 40 0 JFABRN CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000408595309 569966045 /nfs/dbraw/zinc/96/60/45/569966045.db2.gz GLUXNLZICWVFNF-UHFFFAOYSA-N 0 0 485.541 2.927 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000408595395 569966092 /nfs/dbraw/zinc/96/60/92/569966092.db2.gz RSJKMTYEKLQLPL-AWEZNQCLSA-N 0 0 455.939 2.503 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(CCNC(=O)c3ccc(OC)cc3)n2C)c1 ZINC000408596965 569967088 /nfs/dbraw/zinc/96/70/88/569967088.db2.gz XBXRYKIABOOPAH-UHFFFAOYSA-N 0 0 497.577 2.704 40 0 JFABRN COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000408597904 569967603 /nfs/dbraw/zinc/96/76/03/569967603.db2.gz WHGBFRVHZQTGFF-UHFFFAOYSA-N 0 0 458.458 2.768 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224989668 569967629 /nfs/dbraw/zinc/96/76/29/569967629.db2.gz OKPJOQAZUZMLJE-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN Cc1cc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)ccc1Br ZINC000224992285 569967712 /nfs/dbraw/zinc/96/77/12/569967712.db2.gz IDCBVXWWYOAGSW-UHFFFAOYSA-N 0 0 482.400 2.999 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225001072 569968343 /nfs/dbraw/zinc/96/83/43/569968343.db2.gz OZOYNQRHHUQWNX-WOJBJXKFSA-N 0 0 459.612 2.948 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000225002314 569968546 /nfs/dbraw/zinc/96/85/46/569968546.db2.gz IGNGMRRLDSAMIY-RTBURBONSA-N 0 0 492.617 2.771 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225003903 569968597 /nfs/dbraw/zinc/96/85/97/569968597.db2.gz SNXIDQDGECTUNG-QGZVFWFLSA-N 0 0 496.029 2.913 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225003946 569968625 /nfs/dbraw/zinc/96/86/25/569968625.db2.gz SNXIDQDGECTUNG-KRWDZBQOSA-N 0 0 496.029 2.913 40 0 JFABRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000408600805 569968774 /nfs/dbraw/zinc/96/87/74/569968774.db2.gz COOBTMDTPICKGK-FQEVSTJZSA-N 0 0 459.612 2.733 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCCC1)c1ccccc1 ZINC000408601574 569969133 /nfs/dbraw/zinc/96/91/33/569969133.db2.gz ANQVVYWXEGRJKY-UHFFFAOYSA-N 0 0 458.584 2.954 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000225018151 569969464 /nfs/dbraw/zinc/96/94/64/569969464.db2.gz KYERPLZNGPDADZ-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1OC ZINC000408603414 569969916 /nfs/dbraw/zinc/96/99/16/569969916.db2.gz JSFIQNTYLWBSGF-QFIPXVFZSA-N 0 0 468.575 2.952 40 0 JFABRN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1C ZINC000408605752 569970988 /nfs/dbraw/zinc/97/09/88/569970988.db2.gz JZTKIQVSOULGRI-IBGZPJMESA-N 0 0 459.568 2.617 40 0 JFABRN COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)sc2c1CCN(C)C2 ZINC000408606601 569971248 /nfs/dbraw/zinc/97/12/48/569971248.db2.gz KZYSOXVGYVRDLS-UHFFFAOYSA-N 0 0 471.988 2.581 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225045398 569971587 /nfs/dbraw/zinc/97/15/87/569971587.db2.gz WQWUTDZVYRZJHF-RTBURBONSA-N 0 0 485.606 2.862 40 0 JFABRN CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1C(=O)N1CCOCC1 ZINC000225050156 569971785 /nfs/dbraw/zinc/97/17/85/569971785.db2.gz YHQVYTUGKMCEJC-UHFFFAOYSA-N 0 0 479.605 2.595 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000225051392 569971921 /nfs/dbraw/zinc/97/19/21/569971921.db2.gz MMTZRWZIIBTWKR-HXUWFJFHSA-N 0 0 489.638 2.837 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000225058003 569972408 /nfs/dbraw/zinc/97/24/08/569972408.db2.gz COUYPAKIEARBNI-IBGZPJMESA-N 0 0 487.622 2.641 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000225060591 569972647 /nfs/dbraw/zinc/97/26/47/569972647.db2.gz SECUTIGJLSNCQR-UHFFFAOYSA-N 0 0 477.608 2.817 40 0 JFABRN Cn1c2ccc(NC(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2sc1=O ZINC000225063528 569972808 /nfs/dbraw/zinc/97/28/08/569972808.db2.gz RHGWVFUWRIUNFL-UHFFFAOYSA-N 0 0 477.564 2.556 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225063972 569972935 /nfs/dbraw/zinc/97/29/35/569972935.db2.gz NODXPTYLFVNNOL-HXUWFJFHSA-N 0 0 459.612 2.602 40 0 JFABRN COC(=O)c1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000408611781 569972996 /nfs/dbraw/zinc/97/29/96/569972996.db2.gz RJJZRFGYBXDGSH-UHFFFAOYSA-N 0 0 455.330 2.636 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1N1C(=O)CCC1=O ZINC000225077617 569973481 /nfs/dbraw/zinc/97/34/81/569973481.db2.gz ADRBDCCYZSMENY-UHFFFAOYSA-N 0 0 476.898 2.531 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225081497 569973788 /nfs/dbraw/zinc/97/37/88/569973788.db2.gz MPTYMFXJGSYJQA-CZAYHTPWSA-N 0 0 453.583 2.968 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000408614647 569974054 /nfs/dbraw/zinc/97/40/54/569974054.db2.gz FXDWDGOVZNMGHT-JXMROGBWSA-N 0 0 455.580 2.513 40 0 JFABRN Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCn4ccnc4)CC3=O)cc2)c1 ZINC000408614664 569974071 /nfs/dbraw/zinc/97/40/71/569974071.db2.gz GAXWYQLVRPTILH-HXUWFJFHSA-N 0 0 475.549 2.768 40 0 JFABRN CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408614655 569974125 /nfs/dbraw/zinc/97/41/25/569974125.db2.gz FZMDZLDOZMCKCZ-NRFANRHFSA-N 0 0 478.593 2.693 40 0 JFABRN CCOC(=O)c1c(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)sc2c1CCC2 ZINC000408614737 569974222 /nfs/dbraw/zinc/97/42/22/569974222.db2.gz HAPKXYSIVOJXRA-UHFFFAOYSA-N 0 0 482.580 2.835 40 0 JFABRN CC[C@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000225090458 569974260 /nfs/dbraw/zinc/97/42/60/569974260.db2.gz RXUWTKJWWIHFLB-YJYMSZOUSA-N 0 0 474.551 2.790 40 0 JFABRN Cc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)cc1 ZINC000408614968 569974302 /nfs/dbraw/zinc/97/43/02/569974302.db2.gz KGPDRVBCZHMLIA-HXUWFJFHSA-N 0 0 475.549 2.768 40 0 JFABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)c1C ZINC000408615420 569974625 /nfs/dbraw/zinc/97/46/25/569974625.db2.gz QELPZPBQBBSXDM-NRFANRHFSA-N 0 0 478.593 2.747 40 0 JFABRN C[NH+]1CCC(Oc2ccc([N-]S(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)cc2)CC1 ZINC000225096730 569974771 /nfs/dbraw/zinc/97/47/71/569974771.db2.gz DDOTTYOZBRWXQE-UHFFFAOYSA-N 0 0 453.590 2.797 40 0 JFABRN CCn1c2ccc(NC(=O)[C@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2sc1=O ZINC000225097246 569974857 /nfs/dbraw/zinc/97/48/57/569974857.db2.gz HVSWSWMUHMMZPY-ZDUSSCGKSA-N 0 0 477.564 2.647 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000408615653 569974938 /nfs/dbraw/zinc/97/49/38/569974938.db2.gz BTTZBSYEBVAZAX-UHFFFAOYSA-N 0 0 456.904 2.549 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408616320 569975461 /nfs/dbraw/zinc/97/54/61/569975461.db2.gz GEWLTFKTZIGGEM-UHFFFAOYSA-N 0 0 489.333 2.971 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225113761 569975635 /nfs/dbraw/zinc/97/56/35/569975635.db2.gz QWQOJHYBNWVVNB-LEWJYISDSA-N 0 0 488.654 2.940 40 0 JFABRN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCCN1CCOCC1 ZINC000408616813 569975801 /nfs/dbraw/zinc/97/58/01/569975801.db2.gz CFRYVANMSDWZMH-UHFFFAOYSA-N 0 0 485.528 2.739 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(C)(=O)=O)cc1 ZINC000408617264 569976185 /nfs/dbraw/zinc/97/61/85/569976185.db2.gz FRVJHGVXAOAMGP-QGZVFWFLSA-N 0 0 482.562 2.813 40 0 JFABRN CCn1c2ccc(NC(=O)CCc3cc(S(=O)(=O)N(C)C)ccc3OC)cc2sc1=O ZINC000225124503 569976443 /nfs/dbraw/zinc/97/64/43/569976443.db2.gz IIHNIWZREVRJEJ-UHFFFAOYSA-N 0 0 463.581 2.913 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2cccc(Cl)c2C)cc1 ZINC000408618480 569976792 /nfs/dbraw/zinc/97/67/92/569976792.db2.gz JOPCKRTYEWDZAL-UHFFFAOYSA-N 0 0 480.030 2.991 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225128531 569976922 /nfs/dbraw/zinc/97/69/22/569976922.db2.gz FAOPWYRRKXHFJH-NRFANRHFSA-N 0 0 485.606 2.863 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)cc1Cl ZINC000408618970 569977126 /nfs/dbraw/zinc/97/71/26/569977126.db2.gz HFCHTAQDPWTDDJ-INIZCTEOSA-N 0 0 482.002 2.763 40 0 JFABRN COC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000408619483 569977341 /nfs/dbraw/zinc/97/73/41/569977341.db2.gz IOJLHFJVNACDTF-OAHLLOKOSA-N 0 0 455.374 2.791 40 0 JFABRN CCOc1ccc(N(CC(=O)N[C@@H](C)COC)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408620773 569977885 /nfs/dbraw/zinc/97/78/85/569977885.db2.gz LWSPSCIYPONKKR-KRWDZBQOSA-N 0 0 450.557 2.749 40 0 JFABRN CCOc1ccc(N(CC(=O)N[C@H](C)COC)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408620774 569977964 /nfs/dbraw/zinc/97/79/64/569977964.db2.gz LWSPSCIYPONKKR-QGZVFWFLSA-N 0 0 450.557 2.749 40 0 JFABRN CN(c1ccc(C(=O)NCCCN2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408622097 569978657 /nfs/dbraw/zinc/97/86/57/569978657.db2.gz UHPXNRVDEKWYEG-UHFFFAOYSA-N 0 0 451.976 2.617 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000408623104 569979073 /nfs/dbraw/zinc/97/90/73/569979073.db2.gz OWRBERLWHINBMV-QGZVFWFLSA-N 0 0 466.003 2.981 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)Cc2ccccc2)cc1Cl ZINC000408623340 569979192 /nfs/dbraw/zinc/97/91/92/569979192.db2.gz QCWKSRIELKWUGT-UHFFFAOYSA-N 0 0 476.986 2.943 40 0 JFABRN COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1OC ZINC000225162298 569979402 /nfs/dbraw/zinc/97/94/02/569979402.db2.gz JNPVOZNOUSGYCU-UHFFFAOYSA-N 0 0 468.944 2.940 40 0 JFABRN COc1ccc(CCNC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1OC ZINC000408624383 569979755 /nfs/dbraw/zinc/97/97/55/569979755.db2.gz TVAJVOVAPBMYEX-UHFFFAOYSA-N 0 0 485.400 2.587 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3cc(OC)ccc3OC)C2)cc1 ZINC000225170854 569979888 /nfs/dbraw/zinc/97/98/88/569979888.db2.gz JYDWTMVTFPACQL-DLBZAZTESA-N 0 0 462.568 2.991 40 0 JFABRN Cn1c2ccc(NC(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)cc2n(C)c1=O ZINC000408625448 569980181 /nfs/dbraw/zinc/98/01/81/569980181.db2.gz VEKKWRVGFIWTBW-UHFFFAOYSA-N 0 0 494.573 2.861 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225179737 569980597 /nfs/dbraw/zinc/98/05/97/569980597.db2.gz MIOBHEONYJHVNM-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000408626378 569980721 /nfs/dbraw/zinc/98/07/21/569980721.db2.gz WVXCWGZZPFWKJS-UHFFFAOYSA-N 0 0 485.528 2.658 40 0 JFABRN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1Cl ZINC000408626923 569980875 /nfs/dbraw/zinc/98/08/75/569980875.db2.gz YHFGPYVXTVSNGK-KRWDZBQOSA-N 0 0 479.986 2.962 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225189159 569981356 /nfs/dbraw/zinc/98/13/56/569981356.db2.gz CNEVWSHDLHPKNS-CVEARBPZSA-N 0 0 491.997 2.817 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccc(C)cc2)cc1OC ZINC000408629399 569981491 /nfs/dbraw/zinc/98/14/91/569981491.db2.gz ALMLVARJPKEDOA-UHFFFAOYSA-N 0 0 472.567 2.611 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225195037 569981688 /nfs/dbraw/zinc/98/16/88/569981688.db2.gz MQZJJHVDGSLAFU-QGZVFWFLSA-N 0 0 489.569 2.694 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000225195398 569981756 /nfs/dbraw/zinc/98/17/56/569981756.db2.gz CJAXVWIZIVVUSA-SFHVURJKSA-N 0 0 453.564 2.769 40 0 JFABRN COc1ccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1Cl ZINC000408630866 569982603 /nfs/dbraw/zinc/98/26/03/569982603.db2.gz XEDQRWDPTVMRCN-RMKNXTFCSA-N 0 0 478.014 2.972 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225210740 569982785 /nfs/dbraw/zinc/98/27/85/569982785.db2.gz LJXZFLWLLBSKCJ-LJQANCHMSA-N 0 0 491.997 2.818 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225220949 569983410 /nfs/dbraw/zinc/98/34/10/569983410.db2.gz SWJDOKYEZPPIIE-ZWKOTPCHSA-N 0 0 463.575 2.924 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225222422 569983511 /nfs/dbraw/zinc/98/35/11/569983511.db2.gz HSTNWIJAPUHQTP-ZWKOTPCHSA-N 0 0 493.601 2.932 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000225224286 569983749 /nfs/dbraw/zinc/98/37/49/569983749.db2.gz ADEMZWYTSYZBRO-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225236405 569984786 /nfs/dbraw/zinc/98/47/86/569984786.db2.gz SKWQWQHGNJWHBM-KJNZLNQQSA-N 0 0 457.546 2.799 40 0 JFABRN COc1cccc(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(=O)(=O)c2ccccc2)c1 ZINC000225239812 569984890 /nfs/dbraw/zinc/98/48/90/569984890.db2.gz FHFJMGXDLKCMNM-HXUWFJFHSA-N 0 0 468.531 2.847 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccs2)no1 ZINC000225247623 569985466 /nfs/dbraw/zinc/98/54/66/569985466.db2.gz IKUQXYSTFAXYRG-OAHLLOKOSA-N 0 0 450.542 2.668 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)c(Cl)c1 ZINC000408635372 569985629 /nfs/dbraw/zinc/98/56/29/569985629.db2.gz AEYOQGOMJUGAOO-MRXNPFEDSA-N 0 0 454.976 2.781 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000408635388 569985822 /nfs/dbraw/zinc/98/58/22/569985822.db2.gz AIKZILCNSHAFFR-UHFFFAOYSA-N 0 0 489.594 2.577 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000225252394 569986043 /nfs/dbraw/zinc/98/60/43/569986043.db2.gz YEAXUXXQFUGCSQ-SBUREZEXSA-N 0 0 466.515 2.599 40 0 JFABRN CS(=O)(=O)N1CCC(C(=O)N2CCS/C2=C\c2csc(-c3cccnc3)n2)CC1 ZINC000225260409 569986506 /nfs/dbraw/zinc/98/65/06/569986506.db2.gz SBWKICIPLBFGPZ-GZTJUZNOSA-N 0 0 450.611 2.751 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000225264528 569986873 /nfs/dbraw/zinc/98/68/73/569986873.db2.gz KDXMMLRUDFNRTD-MRXNPFEDSA-N 0 0 482.961 2.977 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)c(Cl)c2)cc1 ZINC000408637122 569987205 /nfs/dbraw/zinc/98/72/05/569987205.db2.gz YAFVXJQDVNIGIJ-UHFFFAOYSA-N 0 0 478.958 2.931 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c(Cl)c1 ZINC000408637261 569987278 /nfs/dbraw/zinc/98/72/78/569987278.db2.gz YWSWRHAZJSDITB-UHFFFAOYSA-N 0 0 463.339 2.944 40 0 JFABRN O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000225278556 569987782 /nfs/dbraw/zinc/98/77/82/569987782.db2.gz WOFUHYFLIIHEOX-IEBWSBKVSA-N 0 0 464.971 2.838 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000225282084 569988044 /nfs/dbraw/zinc/98/80/44/569988044.db2.gz HSNRVTSNFOBCON-LJQANCHMSA-N 0 0 474.579 2.759 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c(OC)c1 ZINC000408644877 569990984 /nfs/dbraw/zinc/99/09/84/569990984.db2.gz IQJLNSZNQYIYBB-ZDUSSCGKSA-N 0 0 462.886 2.901 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCCSc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000225347488 569991970 /nfs/dbraw/zinc/99/19/70/569991970.db2.gz HONIXAHQYJIJHO-UHFFFAOYSA-N 0 0 450.582 2.913 40 0 JFABRN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c1 ZINC000225346585 569991996 /nfs/dbraw/zinc/99/19/96/569991996.db2.gz FDYDJLQCIIQRNL-HNNXBMFYSA-N 0 0 480.608 2.938 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225372962 569993674 /nfs/dbraw/zinc/99/36/74/569993674.db2.gz AHVOLBBDHZSRRU-OAQYLSRUSA-N 0 0 493.601 2.934 40 0 JFABRN COc1ccc(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(C)(=O)=O)cc1OC ZINC000225378031 569993880 /nfs/dbraw/zinc/99/38/80/569993880.db2.gz KNROUZDEWXNVAU-UHFFFAOYSA-N 0 0 462.553 2.935 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1 ZINC000408651380 569994337 /nfs/dbraw/zinc/99/43/37/569994337.db2.gz DIELGKHCLFCCRZ-LBPRGKRZSA-N 0 0 480.304 2.677 40 0 JFABRN COc1ccc(CC(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)cc2)cc1 ZINC000408652527 569994906 /nfs/dbraw/zinc/99/49/06/569994906.db2.gz DFYFLLVAFOPRGM-UEPZIKSZSA-N 0 0 464.470 2.767 40 0 JFABRN Cc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000408652612 569994982 /nfs/dbraw/zinc/99/49/82/569994982.db2.gz GFHFYQQRZZWOIN-ZDUSSCGKSA-N 0 0 464.305 2.977 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000408652657 569994987 /nfs/dbraw/zinc/99/49/87/569994987.db2.gz GLLMBKJMLPFOOL-CYBMUJFWSA-N 0 0 480.304 2.677 40 0 JFABRN CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)c1 ZINC000408653084 569995324 /nfs/dbraw/zinc/99/53/24/569995324.db2.gz HUDXUCRGONHLDX-LJQANCHMSA-N 0 0 479.533 2.862 40 0 JFABRN O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000408653661 569995641 /nfs/dbraw/zinc/99/56/41/569995641.db2.gz AGPZWHDZVRCRSE-UHFFFAOYSA-N 0 0 451.660 2.880 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)Nc1ccccc1 ZINC000408653085 569995396 /nfs/dbraw/zinc/99/53/96/569995396.db2.gz HUWOPBBUHRBKMD-GFCCVEGCSA-N 0 0 450.278 2.669 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)C(c2ccccc2)c2ccccc2)C1)Nc1ccccc1 ZINC000408654631 569996295 /nfs/dbraw/zinc/99/62/95/569996295.db2.gz KPNVMAYNBSVHDV-NRFANRHFSA-N 0 0 471.513 2.880 40 0 JFABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225434058 569996724 /nfs/dbraw/zinc/99/67/24/569996724.db2.gz XFDYMBGXYQNVCN-QHCPKHFHSA-N 0 0 489.638 2.837 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225434506 569996756 /nfs/dbraw/zinc/99/67/56/569996756.db2.gz CHIPLHYSRLAAOP-RTBURBONSA-N 0 0 477.602 2.966 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000225438486 569996826 /nfs/dbraw/zinc/99/68/26/569996826.db2.gz WCQAPCRJWOIPCR-INIZCTEOSA-N 0 0 467.538 2.674 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225438743 569996829 /nfs/dbraw/zinc/99/68/29/569996829.db2.gz PSFKJKFJEPABHU-OAHLLOKOSA-N 0 0 485.528 2.813 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225438017 569996835 /nfs/dbraw/zinc/99/68/35/569996835.db2.gz LTMKPNYQVXRGGM-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225437977 569996837 /nfs/dbraw/zinc/99/68/37/569996837.db2.gz LTMKPNYQVXRGGM-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225438939 569996934 /nfs/dbraw/zinc/99/69/34/569996934.db2.gz ZNSWQSZSMCVMJA-NRFANRHFSA-N 0 0 489.638 2.837 40 0 JFABRN O=C(NCc1ccccc1CN1CCCC1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000225471967 569998332 /nfs/dbraw/zinc/99/83/32/569998332.db2.gz HHGWRVMJQWKFQC-UHFFFAOYSA-N 0 0 455.580 2.526 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225472846 569998404 /nfs/dbraw/zinc/99/84/04/569998404.db2.gz DYOQFPIRFKEUQR-QGZVFWFLSA-N 0 0 466.003 2.902 40 0 JFABRN CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1 ZINC000408658362 569998874 /nfs/dbraw/zinc/99/88/74/569998874.db2.gz RDMGXHJXFJHXGZ-SFHVURJKSA-N 0 0 452.463 2.601 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225485784 569999104 /nfs/dbraw/zinc/99/91/04/569999104.db2.gz FQQBFFNZGGFSGV-GHTZIAJQSA-N 0 0 485.606 2.943 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)Nc1ccc(Cl)cc1 ZINC000408658771 569999156 /nfs/dbraw/zinc/99/91/56/569999156.db2.gz RGILHYHJVNFPDT-GFCCVEGCSA-N 0 0 450.278 2.669 40 0 JFABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000225491602 569999523 /nfs/dbraw/zinc/99/95/23/569999523.db2.gz WNPRYNCLDJBNLA-NRFANRHFSA-N 0 0 482.599 2.897 40 0 JFABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000225500942 570000296 /nfs/dbraw/zinc/00/02/96/570000296.db2.gz OQLSMHHAHYGEPV-JOCHJYFZSA-N 0 0 494.635 2.767 40 0 JFABRN Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c1 ZINC000408661441 570000925 /nfs/dbraw/zinc/00/09/25/570000925.db2.gz VVTVVGJCIWESEZ-MRXNPFEDSA-N 0 0 488.338 2.741 40 0 JFABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)c1 ZINC000225510606 570001090 /nfs/dbraw/zinc/00/10/90/570001090.db2.gz TUNTXEMTBVNAOS-INIZCTEOSA-N 0 0 458.540 2.867 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000225533354 570003305 /nfs/dbraw/zinc/00/33/05/570003305.db2.gz XCYRTOMMLXDZSZ-OAHLLOKOSA-N 0 0 482.002 2.784 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225536720 570003598 /nfs/dbraw/zinc/00/35/98/570003598.db2.gz IHMRSWHKPUXPLU-UHFFFAOYSA-N 0 0 480.539 2.684 40 0 JFABRN O=C(NCc1ccc(CN2CCCC2=O)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225538632 570003728 /nfs/dbraw/zinc/00/37/28/570003728.db2.gz AARVYNIZECFNOK-FQEVSTJZSA-N 0 0 473.570 2.665 40 0 JFABRN COc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225541146 570003999 /nfs/dbraw/zinc/00/39/99/570003999.db2.gz NTYIODFKKKYCHH-DLBZAZTESA-N 0 0 450.532 2.819 40 0 JFABRN COc1ccccc1N(CCCC(=O)NCc1nc(-c2ccccc2C)no1)S(C)(=O)=O ZINC000225559618 570005734 /nfs/dbraw/zinc/00/57/34/570005734.db2.gz YFJCYULHRLMEKJ-UHFFFAOYSA-N 0 0 458.540 2.916 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225570160 570006491 /nfs/dbraw/zinc/00/64/91/570006491.db2.gz SHVQVJOPEWCIFP-WIYYLYMNSA-N 0 0 485.606 2.862 40 0 JFABRN CCCSc1nnc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 ZINC000225575325 570006727 /nfs/dbraw/zinc/00/67/27/570006727.db2.gz MJMPJFYBDXHIDZ-UHFFFAOYSA-N 0 0 472.614 2.996 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225586155 570007817 /nfs/dbraw/zinc/00/78/17/570007817.db2.gz HROIEAVSQGHYLM-OAHLLOKOSA-N 0 0 485.528 2.812 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000408672333 570008219 /nfs/dbraw/zinc/00/82/19/570008219.db2.gz VUSALVUONIWCRW-QGZVFWFLSA-N 0 0 454.479 2.797 40 0 JFABRN CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(=O)OC)cc3)CC2=O)cc1 ZINC000408672416 570008239 /nfs/dbraw/zinc/00/82/39/570008239.db2.gz WLVJBFSCZYBPQN-IBGZPJMESA-N 0 0 496.516 2.965 40 0 JFABRN COc1ccc(N(CCCC(=O)NCc2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000225656730 570012749 /nfs/dbraw/zinc/01/27/49/570012749.db2.gz CDBCXBSSIOEHCE-UHFFFAOYSA-N 0 0 466.556 2.584 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225675539 570013965 /nfs/dbraw/zinc/01/39/65/570013965.db2.gz SYUFBRSLNLQDHA-INIZCTEOSA-N 0 0 497.564 2.681 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000225682246 570014332 /nfs/dbraw/zinc/01/43/32/570014332.db2.gz RGRFHZJQOVNZNF-SFHVURJKSA-N 0 0 493.601 2.790 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225687390 570014726 /nfs/dbraw/zinc/01/47/26/570014726.db2.gz MWXAPORLFYCWHD-FQEVSTJZSA-N 0 0 489.638 2.836 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225689776 570014778 /nfs/dbraw/zinc/01/47/78/570014778.db2.gz IABGWLITPXKTIH-SFHVURJKSA-N 0 0 463.575 2.576 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000225715640 570016949 /nfs/dbraw/zinc/01/69/49/570016949.db2.gz WBBNEYHUQIKUFH-NRFANRHFSA-N 0 0 492.617 2.771 40 0 JFABRN CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)CC1 ZINC000225739763 570018824 /nfs/dbraw/zinc/01/88/24/570018824.db2.gz SQHZBXLYCODFHL-UHFFFAOYSA-N 0 0 461.565 2.574 40 0 JFABRN CCOc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000408698665 570020071 /nfs/dbraw/zinc/02/00/71/570020071.db2.gz RBAHKALAOSYFKQ-UHFFFAOYSA-N 0 0 473.595 2.841 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1nnc(SC(C)C)s1 ZINC000225759694 570020434 /nfs/dbraw/zinc/02/04/34/570020434.db2.gz IRKQTJBEZJIHOV-UHFFFAOYSA-N 0 0 486.641 2.639 40 0 JFABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000408700320 570021094 /nfs/dbraw/zinc/02/10/94/570021094.db2.gz DEDHBNRNZTZDQQ-UHFFFAOYSA-N 0 0 495.623 2.505 40 0 JFABRN CCOc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1S(=O)(=O)NC(C)C ZINC000408700706 570021282 /nfs/dbraw/zinc/02/12/82/570021282.db2.gz KPQDRGYXGFHMLB-UHFFFAOYSA-N 0 0 450.557 2.762 40 0 JFABRN NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)CC1 ZINC000225786095 570021578 /nfs/dbraw/zinc/02/15/78/570021578.db2.gz ITYAHUXBFUTBIE-UHFFFAOYSA-N 0 0 465.984 2.651 40 0 JFABRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1 ZINC000225791397 570021857 /nfs/dbraw/zinc/02/18/57/570021857.db2.gz DZYJTBHBDPEYIB-UHFFFAOYSA-N 0 0 452.872 2.589 40 0 JFABRN CCOC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)CC1 ZINC000408701688 570021995 /nfs/dbraw/zinc/02/19/95/570021995.db2.gz CRSJRDVKFJLUKY-UHFFFAOYSA-N 0 0 457.980 2.675 40 0 JFABRN COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc(C(=O)OC)c1 ZINC000408701582 570022024 /nfs/dbraw/zinc/02/20/24/570022024.db2.gz AGAAKBBDHBMGAS-UHFFFAOYSA-N 0 0 490.534 2.695 40 0 JFABRN CCN(c1ccc(C(=O)NCCN2CCOCC2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408701798 570022147 /nfs/dbraw/zinc/02/21/47/570022147.db2.gz FXRMSLIUYDRPBM-UHFFFAOYSA-N 0 0 463.625 2.686 40 0 JFABRN COC(=O)c1cc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408702848 570022917 /nfs/dbraw/zinc/02/29/17/570022917.db2.gz IBLXSDQTPOGCCY-UHFFFAOYSA-N 0 0 466.487 2.584 40 0 JFABRN COc1cc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(OC)cc1Cl ZINC000408704108 570023673 /nfs/dbraw/zinc/02/36/73/570023673.db2.gz JQEQXSPZAXOVAZ-LBPRGKRZSA-N 0 0 470.931 2.922 40 0 JFABRN COc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000225828039 570023759 /nfs/dbraw/zinc/02/37/59/570023759.db2.gz ZWVJBQDLOASKKS-KRWDZBQOSA-N 0 0 450.557 2.834 40 0 JFABRN Cc1ccc(SCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000408704629 570024151 /nfs/dbraw/zinc/02/41/51/570024151.db2.gz QSBYIXPCYKOBLV-INIZCTEOSA-N 0 0 450.582 2.829 40 0 JFABRN Cc1nc(SCCNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC000225846005 570024508 /nfs/dbraw/zinc/02/45/08/570024508.db2.gz YQPCOXJLZHRCFM-UHFFFAOYSA-N 0 0 457.581 2.695 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)Cc1ccccc1F ZINC000225845343 570024579 /nfs/dbraw/zinc/02/45/79/570024579.db2.gz WMVNOJAOCMWJKR-UHFFFAOYSA-N 0 0 470.526 2.551 40 0 JFABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000408705561 570024711 /nfs/dbraw/zinc/02/47/11/570024711.db2.gz IOYSDHIPCKIFJW-HNNXBMFYSA-N 0 0 461.540 2.738 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000408706489 570025239 /nfs/dbraw/zinc/02/52/39/570025239.db2.gz ZZXDQDQPHLBIGR-UHFFFAOYSA-N 0 0 468.503 2.814 40 0 JFABRN COc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl ZINC000408713000 570025348 /nfs/dbraw/zinc/02/53/48/570025348.db2.gz FRCWEUGICHDGJA-UHFFFAOYSA-N 0 0 465.959 2.778 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000408713323 570025491 /nfs/dbraw/zinc/02/54/91/570025491.db2.gz SNSKVLBWDQOPAW-UHFFFAOYSA-N 0 0 467.547 2.771 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)Cc1ccccc1Cl ZINC000225865072 570025562 /nfs/dbraw/zinc/02/55/62/570025562.db2.gz HURHLGULBVWMRB-KRWDZBQOSA-N 0 0 479.986 2.649 40 0 JFABRN C[C@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225904372 570026706 /nfs/dbraw/zinc/02/67/06/570026706.db2.gz WIVGWGBWSKVQEG-IBGZPJMESA-N 0 0 461.680 2.712 40 0 JFABRN CC1CCN(c2cc(N3Cc4ccccc4C3)nc(NC(=S)NCCN3CCOCC3)n2)CC1 ZINC000225904119 570026825 /nfs/dbraw/zinc/02/68/25/570026825.db2.gz IJXQGDFSAFPFCC-UHFFFAOYSA-N 0 0 481.670 2.852 40 0 JFABRN S=C(NC[C@@H]1CCCO1)Nc1nc(Sc2ncccn2)cc(Sc2ncccn2)n1 ZINC000225909295 570027224 /nfs/dbraw/zinc/02/72/24/570027224.db2.gz WFRIKMRGTPPMDH-LBPRGKRZSA-N 0 0 458.598 2.824 40 0 JFABRN Cc1nc(SCCNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(C)ccc2C)n[nH]1 ZINC000225939050 570028861 /nfs/dbraw/zinc/02/88/61/570028861.db2.gz ATLOEAMCFNVBBT-UHFFFAOYSA-N 0 0 487.651 2.872 40 0 JFABRN S=C(NCc1cccnc1)Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225940108 570028882 /nfs/dbraw/zinc/02/88/82/570028882.db2.gz HLDNGTBTWVZRDM-UHFFFAOYSA-N 0 0 490.637 2.521 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccccc2)cc1 ZINC000225998977 570031695 /nfs/dbraw/zinc/03/16/95/570031695.db2.gz XIVDNMDXRZVRIW-UHFFFAOYSA-N 0 0 451.548 2.852 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 ZINC000226007785 570032218 /nfs/dbraw/zinc/03/22/18/570032218.db2.gz TXYFCKFYBGDNBH-QHCPKHFHSA-N 0 0 498.532 2.984 40 0 JFABRN S=C(NCc1ccc2c(c1)OCO2)Nc1nc(N2CCCCC2)cc(N2CCOCC2)n1 ZINC000226011969 570032490 /nfs/dbraw/zinc/03/24/90/570032490.db2.gz BTJHHSBXIWEAEL-UHFFFAOYSA-N 0 0 456.572 2.519 40 0 JFABRN C[C@@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccc4c(c3)OCO4)n2)C1 ZINC000226012237 570032608 /nfs/dbraw/zinc/03/26/08/570032608.db2.gz KFPWGKVPCJHSKW-MRXNPFEDSA-N 0 0 470.599 2.765 40 0 JFABRN C[C@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccc4c(c3)OCO4)n2)C1 ZINC000226012250 570032631 /nfs/dbraw/zinc/03/26/31/570032631.db2.gz KFPWGKVPCJHSKW-INIZCTEOSA-N 0 0 470.599 2.765 40 0 JFABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCCSc1nc[nH]n1 ZINC000226018398 570033082 /nfs/dbraw/zinc/03/30/82/570033082.db2.gz FGVQCHFMDNBXEI-UHFFFAOYSA-N 0 0 483.978 2.697 40 0 JFABRN Cc1cccc(CN(CC(=O)NCCSc2nc[nH]n2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000226019130 570033272 /nfs/dbraw/zinc/03/32/72/570033272.db2.gz FYWNENGULAFCMR-UHFFFAOYSA-N 0 0 480.015 2.866 40 0 JFABRN Cc1nc(SCCNC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC000226027440 570033431 /nfs/dbraw/zinc/03/34/31/570033431.db2.gz VKNRRWFMDHDXRP-UHFFFAOYSA-N 0 0 477.587 2.660 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21)C1CCCCC1 ZINC000226040782 570033746 /nfs/dbraw/zinc/03/37/46/570033746.db2.gz ZWKYWYQLOFZHIL-QHCPKHFHSA-N 0 0 485.606 2.691 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3cc(Br)ccc32)cc1C ZINC000226044825 570033905 /nfs/dbraw/zinc/03/39/05/570033905.db2.gz MUEPVMQOWCUDLI-UHFFFAOYSA-N 0 0 453.358 2.976 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2n[nH]c(C)n2)Cc2ccccc2)cc1C ZINC000226046160 570034021 /nfs/dbraw/zinc/03/40/21/570034021.db2.gz HNMFDVCZRDFTBW-UHFFFAOYSA-N 0 0 489.623 2.530 40 0 JFABRN CCN(CC(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000226047768 570034103 /nfs/dbraw/zinc/03/41/03/570034103.db2.gz LRDOOWIFHRESFK-UHFFFAOYSA-N 0 0 450.557 2.690 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1C ZINC000226060020 570034975 /nfs/dbraw/zinc/03/49/75/570034975.db2.gz HNZAZTSYGWHPOH-UHFFFAOYSA-N 0 0 480.583 2.699 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(Cc3ccc(Cl)cc3)S(C)(=O)=O)c2)n1 ZINC000226060709 570035125 /nfs/dbraw/zinc/03/51/25/570035125.db2.gz RYZMQQHXVLAAAM-UHFFFAOYSA-N 0 0 460.943 2.799 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCSc2n[nH]c(C)n2)C2CCCCC2)cc1 ZINC000226063890 570035273 /nfs/dbraw/zinc/03/52/73/570035273.db2.gz ADMCOBRHDRYLPN-UHFFFAOYSA-N 0 0 481.644 2.744 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000226065914 570035299 /nfs/dbraw/zinc/03/52/99/570035299.db2.gz FQCCKULQCPKYGV-UHFFFAOYSA-N 0 0 496.014 2.663 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NCCNc1ccnc2cc(Cl)ccc21 ZINC000226069328 570035592 /nfs/dbraw/zinc/03/55/92/570035592.db2.gz FIHABIHOFLRNLG-UHFFFAOYSA-N 0 0 480.949 2.885 40 0 JFABRN Cc1nc(SCCNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n[nH]1 ZINC000226075257 570036147 /nfs/dbraw/zinc/03/61/47/570036147.db2.gz KOYGLTOLKWQPBL-UHFFFAOYSA-N 0 0 478.427 2.729 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1 ZINC000226075751 570036171 /nfs/dbraw/zinc/03/61/71/570036171.db2.gz DUQGMXUHHWKKDE-UHFFFAOYSA-N 0 0 476.942 2.667 40 0 JFABRN CCN(CC(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000226076825 570036247 /nfs/dbraw/zinc/03/62/47/570036247.db2.gz YQNQCZNBNJIVJP-UHFFFAOYSA-N 0 0 470.551 2.712 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc2O1 ZINC000226077753 570036259 /nfs/dbraw/zinc/03/62/59/570036259.db2.gz RXIHPFZLGOYRJC-QRWLVFNGSA-N 0 0 478.954 2.708 40 0 JFABRN C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N=c1sccn1Cc1ccccc1Cl)CS2 ZINC000229844351 570041460 /nfs/dbraw/zinc/04/14/60/570041460.db2.gz VOVRVDLIVWZDBU-AWZMUKDTSA-N 0 0 465.984 2.676 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)occ(-c2ccccc2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000238900274 570047370 /nfs/dbraw/zinc/04/73/70/570047370.db2.gz IKJNNQJEFRCUHB-OIQMLGRBSA-N 0 0 568.531 2.922 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238900775 570047635 /nfs/dbraw/zinc/04/76/35/570047635.db2.gz JWTWVAVUQMMSIC-JKFQQTEHSA-N 0 0 592.981 2.933 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408823035 570052240 /nfs/dbraw/zinc/05/22/40/570052240.db2.gz DFANQBUAQAWCQI-IMEWXKHHSA-N 0 0 494.569 2.830 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230312 570056343 /nfs/dbraw/zinc/05/63/43/570056343.db2.gz OZRQGFYSBQVKDI-UPUUWEMXSA-N 0 0 484.574 2.819 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230311 570056350 /nfs/dbraw/zinc/05/63/50/570056350.db2.gz OZRQGFYSBQVKDI-FBROZUCGSA-N 0 0 484.574 2.819 40 0 JFABRN CC(C)CCN1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C ZINC000245230296 570056387 /nfs/dbraw/zinc/05/63/87/570056387.db2.gz OUEYSXIPPYPTFG-OCMFYPDISA-N 0 0 459.631 2.937 40 0 JFABRN CC(C)CN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NCc1ccccc1 ZINC000245230513 570056589 /nfs/dbraw/zinc/05/65/89/570056589.db2.gz TUSAMHOPZWSNTH-BXOWXZKISA-N 0 0 477.536 2.887 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4F)c(=O)n32)cc1OCC ZINC000408942313 570082961 /nfs/dbraw/zinc/08/29/61/570082961.db2.gz XHWJSCJZXVXBES-YRUATGHUSA-N 0 0 482.533 2.955 40 0 JFABRN O=C(Cn1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21)N1CCOCC1 ZINC000408960740 570085790 /nfs/dbraw/zinc/08/57/90/570085790.db2.gz IJAZMVBJHHUMJK-BKUYFWCQSA-N 0 0 462.481 2.732 40 0 JFABRN O=C(CSc1nnnn1Cc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000408978608 570090394 /nfs/dbraw/zinc/09/03/94/570090394.db2.gz AAVZZHJPMJVYGC-UHFFFAOYSA-N 0 0 451.581 2.772 40 0 JFABRN COc1cc([C@H]2N=C(SCC(N)=O)NC(C)=C2C(=O)Nc2ccccc2)cc(OC)c1OC ZINC000408989139 570093373 /nfs/dbraw/zinc/09/33/73/570093373.db2.gz KDXIHBJGKQPSOI-HXUWFJFHSA-N 0 0 470.551 2.844 40 0 JFABRN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4n(c3=O)CC(C(=O)OCC)=C(C)N=4)o2)cc1 ZINC000408996310 570095458 /nfs/dbraw/zinc/09/54/58/570095458.db2.gz CYUSESWOIOJHCO-NDENLUEZSA-N 0 0 466.515 2.646 40 0 JFABRN O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4)C[C@@H]13)O2 ZINC000253405715 570097023 /nfs/dbraw/zinc/09/70/23/570097023.db2.gz TUNWPMBXJVUESL-FIXSFTCYSA-N 0 0 463.578 2.850 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500441 570101934 /nfs/dbraw/zinc/10/19/34/570101934.db2.gz OFKDRUABGYQCHL-TZIWHRDSSA-N 0 0 468.558 2.931 40 0 JFABRN Cc1cc2cc(CN(CCO)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000253500548 570102184 /nfs/dbraw/zinc/10/21/84/570102184.db2.gz VUQFJRBEGQZEJL-IFMALSPDSA-N 0 0 454.575 2.914 40 0 JFABRN COc1cccc(OC)c1C(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000409022042 570103241 /nfs/dbraw/zinc/10/32/41/570103241.db2.gz IFRYMXHPJOBJPI-UHFFFAOYSA-N 0 0 451.567 2.900 40 0 JFABRN COc1ccc(CCNC(=O)C2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC ZINC000409022200 570103250 /nfs/dbraw/zinc/10/32/50/570103250.db2.gz ITMMBYIRTJSFCN-UHFFFAOYSA-N 0 0 486.565 2.941 40 0 JFABRN CCOc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000409024979 570104127 /nfs/dbraw/zinc/10/41/27/570104127.db2.gz JJIRNEZIBYBDAA-UHFFFAOYSA-N 0 0 491.635 2.726 40 0 JFABRN CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000409027171 570104754 /nfs/dbraw/zinc/10/47/54/570104754.db2.gz BGQRCMWJKIDQKF-UHFFFAOYSA-N 0 0 479.624 2.828 40 0 JFABRN COc1cc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000256055527 570106951 /nfs/dbraw/zinc/10/69/51/570106951.db2.gz JTDDDLQCWHTKRH-STZFKDTASA-N 0 0 485.525 2.787 40 0 JFABRN COc1ccccc1NC(=O)COc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1 ZINC000256055610 570106956 /nfs/dbraw/zinc/10/69/56/570106956.db2.gz NCPNVJNTWNLIHI-STZFKDTASA-N 0 0 485.525 2.787 40 0 JFABRN CCc1noc(C)c1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257200365 570107866 /nfs/dbraw/zinc/10/78/66/570107866.db2.gz ACZGKXLWLSPSHZ-UGKGYDQZSA-N 0 0 454.571 2.619 40 0 JFABRN CC(C)Cc1cc(C(=O)N2CCC3(CC2)C/C=C/COc2ccccc2C(=O)NCCNC3=O)on1 ZINC000257201753 570108275 /nfs/dbraw/zinc/10/82/75/570108275.db2.gz AIXDBCINNIZSCQ-AATRIKPKSA-N 0 0 494.592 2.980 40 0 JFABRN COc1ccc([C@@H]2CN(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CCN2C)cc1 ZINC000257202722 570108590 /nfs/dbraw/zinc/10/85/90/570108590.db2.gz ANBJVPKMQWQQIX-DEOSSOPVSA-N 0 0 486.638 2.797 40 0 JFABRN O=C(Cc1cccnc1)N1CCC[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257206267 570109716 /nfs/dbraw/zinc/10/97/16/570109716.db2.gz BCQQBTQYQYCHME-VWLOTQADSA-N 0 0 455.530 2.700 40 0 JFABRN COC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1 ZINC000409066231 570116512 /nfs/dbraw/zinc/11/65/12/570116512.db2.gz HPLHOPZXTKRSGT-UHFFFAOYSA-N 0 0 453.524 2.571 40 0 JFABRN COc1ccc(C2(C(=O)N3CC[C@]4(C3)CN(c3ccc(F)cc3)C(=O)CO4)CCOCC2)cc1 ZINC000257231174 570117382 /nfs/dbraw/zinc/11/73/82/570117382.db2.gz GFQCDEIATGKUMZ-VWLOTQADSA-N 0 0 468.525 2.917 40 0 JFABRN Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)c4cccc(Cn5ccnc5)c4)C3)c2n1 ZINC000257231884 570117519 /nfs/dbraw/zinc/11/75/19/570117519.db2.gz GINZBMYFJMSZDJ-AREMUKBSSA-N 0 0 456.550 2.896 40 0 JFABRN CN1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CN(Cc3cnn(C4CCCC4)c3)CCO2)CC1 ZINC000257234138 570118292 /nfs/dbraw/zinc/11/82/92/570118292.db2.gz GSIJZHHVFNINEM-MHZLTWQESA-N 0 0 499.631 2.951 40 0 JFABRN O=C(CC1(COc2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1 ZINC000257238128 570119653 /nfs/dbraw/zinc/11/96/53/570119653.db2.gz HJRSHEVEHKSCEL-UHFFFAOYSA-N 0 0 476.570 2.925 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(COc3ccc(F)cc3)(CC(N)=O)CC2)c1 ZINC000257249852 570123198 /nfs/dbraw/zinc/12/31/98/570123198.db2.gz JJZXBNVIPJXQQH-UHFFFAOYSA-N 0 0 466.531 2.568 40 0 JFABRN COc1ccc2c(c1)[C@H]1OCC3(CCN(S(=O)(=O)c4c[nH]c(=O)[nH]c4=O)CC3)C[C@@H]1C(C)(C)O2 ZINC000257249857 570123223 /nfs/dbraw/zinc/12/32/23/570123223.db2.gz JKACBFNDNSOVGH-QFBILLFUSA-N 0 0 491.566 2.616 40 0 JFABRN CN1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000257253086 570124167 /nfs/dbraw/zinc/12/41/67/570124167.db2.gz JXMZWOFTBCAMRV-VWLOTQADSA-N 0 0 489.613 2.840 40 0 JFABRN Cn1cc(-c2cc(C(=O)N3CCC[C@]4(CN(Cc5ccccc5)C(=O)CO4)CC3)ccn2)cn1 ZINC000257253838 570124406 /nfs/dbraw/zinc/12/44/06/570124406.db2.gz KALBFANTVFCQAV-AREMUKBSSA-N 0 0 459.550 2.906 40 0 JFABRN CNC(=O)c1cc(C2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)ncn1 ZINC000257254539 570124526 /nfs/dbraw/zinc/12/45/26/570124526.db2.gz KDOLGAWKOHOIIL-FQEVSTJZSA-N 0 0 453.543 2.808 40 0 JFABRN O=C(C[C@]1(COc2ccccc2)CCCN(S(=O)(=O)c2cccc(F)c2)C1)N1CCOCC1 ZINC000257256767 570125215 /nfs/dbraw/zinc/12/52/15/570125215.db2.gz KMULNRRIDBPMFB-XMMPIXPASA-N 0 0 476.570 2.925 40 0 JFABRN CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000257259790 570126306 /nfs/dbraw/zinc/12/63/06/570126306.db2.gz LAACHVPTRUCAPK-OAQYLSRUSA-N 0 0 489.498 2.740 40 0 JFABRN O=C(c1cccc(OCCN2CCOCC2)c1)N1CCOC[C@@H](Cc2cccc3n[nH]cc32)C1 ZINC000257260615 570126558 /nfs/dbraw/zinc/12/65/58/570126558.db2.gz LDQGFWLCJCXCMJ-FQEVSTJZSA-N 0 0 464.566 2.605 40 0 JFABRN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N([C@H](C)C(=O)OC)C1=O ZINC000409096906 570127004 /nfs/dbraw/zinc/12/70/04/570127004.db2.gz LLTAELGIJYTDKP-MRACZJACSA-N 0 0 458.286 2.599 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409097226 570127133 /nfs/dbraw/zinc/12/71/33/570127133.db2.gz HWHMPYVBMKCRQH-QFXGEWDLSA-N 0 0 494.617 2.771 40 0 JFABRN CC(=O)N1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000257262987 570127331 /nfs/dbraw/zinc/12/73/31/570127331.db2.gz LNWNZDMLLDKCAE-IBGZPJMESA-N 0 0 461.444 2.719 40 0 JFABRN CC(C)(NC(=O)Cc1ccc(F)cc1)C(=O)N1CCOC[C@@H](Cc2ccc3nccn3c2)C1 ZINC000257264763 570127922 /nfs/dbraw/zinc/12/79/22/570127922.db2.gz LVYDVGFZTKTELE-FQEVSTJZSA-N 0 0 452.530 2.628 40 0 JFABRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(I)c1O ZINC000409100250 570128138 /nfs/dbraw/zinc/12/81/38/570128138.db2.gz URSFAJQEXWAHAH-OTIXFSKASA-N 0 0 477.276 2.993 40 0 JFABRN CC(=O)N(C)[C@H]1CC2(CC[NH+](Cc3cc(C(C)(C)C)ccc3OCC(=O)[O-])CC2)OC[C@]1(C)O ZINC000257267763 570128881 /nfs/dbraw/zinc/12/88/81/570128881.db2.gz MIRGEIZXIDDDRJ-DHLKQENFSA-N 0 0 476.614 2.800 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409102914 570129092 /nfs/dbraw/zinc/12/90/92/570129092.db2.gz WRPUVZNUYWYJQF-FJWZAKCXSA-N 0 0 492.601 2.516 40 0 JFABRN CCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)C1=O ZINC000409107026 570130575 /nfs/dbraw/zinc/13/05/75/570130575.db2.gz OIQMIYMLXHLHNU-KPKJPENVSA-N 0 0 477.276 2.908 40 0 JFABRN COCCn1cnc2cc(C(=O)N(C)C[C@@]3(O)CCN(c4cc(C)nc5ccncc54)C3)ccc21 ZINC000257274152 570130920 /nfs/dbraw/zinc/13/09/20/570130920.db2.gz NJTSLKBBMPQEDM-SANMLTNESA-N 0 0 474.565 2.648 40 0 JFABRN Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)COCc3nc4ccccc4n3C)C2)c2cnccc2n1 ZINC000257274650 570131061 /nfs/dbraw/zinc/13/10/61/570131061.db2.gz NLZBMNFINVTRDF-HHHXNRCGSA-N 0 0 488.592 2.831 40 0 JFABRN CNC(=O)c1cccc([C@H]2CN(C(=O)C3(C)CCN(C(=O)c4ccccc4)CC3)CCN2C)c1 ZINC000257277365 570131892 /nfs/dbraw/zinc/13/18/92/570131892.db2.gz NXSABPHAOXWARI-HSZRJFAPSA-N 0 0 462.594 2.804 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@H]1c1ccccc1 ZINC000409114261 570133403 /nfs/dbraw/zinc/13/34/03/570133403.db2.gz GRLPFFZAIKSTFB-HQMFNGAOSA-N 0 0 479.945 2.774 40 0 JFABRN NC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)C1 ZINC000257283330 570133730 /nfs/dbraw/zinc/13/37/30/570133730.db2.gz OXVKSCJPTWSCAX-QHCPKHFHSA-N 0 0 453.543 2.726 40 0 JFABRN CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cncs3)CC[C@@H]2Oc2cccc(Cl)c2)CC1 ZINC000257285267 570134259 /nfs/dbraw/zinc/13/42/59/570134259.db2.gz PGJCOGNJOIAMBY-LPHOPBHVSA-N 0 0 463.003 2.870 40 0 JFABRN Cc1cn([C@@H]2CN(C(=O)CCCn3c4ccccc4nc3C(C)C)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257289918 570135616 /nfs/dbraw/zinc/13/56/16/570135616.db2.gz QAUMJPHJRVPESE-CJFMBICVSA-N 0 0 467.570 2.735 40 0 JFABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)CCN2C(=O)CCNC2=O)n1 ZINC000257293834 570136622 /nfs/dbraw/zinc/13/66/22/570136622.db2.gz QRJAZIIZAMMVKF-IBGZPJMESA-N 0 0 468.533 2.734 40 0 JFABRN CC(C)CS(=O)(=O)N1CC2(CCN(CC(=O)N3CC(=O)Nc4ccccc43)CC2)CCC1(C)C ZINC000257300688 570138653 /nfs/dbraw/zinc/13/86/53/570138653.db2.gz RVHWVWCOFRSWSP-UHFFFAOYSA-N 0 0 490.670 2.914 40 0 JFABRN CN(c1cccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1)S(C)(=O)=O ZINC000409129314 570139416 /nfs/dbraw/zinc/13/94/16/570139416.db2.gz GCJFLCCOLQHFPD-UHFFFAOYSA-N 0 0 480.395 2.794 40 0 JFABRN CCCn1cc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)cn1 ZINC000257309591 570141270 /nfs/dbraw/zinc/14/12/70/570141270.db2.gz UBMQUTFSELRRKV-VWLOTQADSA-N 0 0 490.048 2.761 40 0 JFABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)c2ccc(=O)n(CC(N)=O)c2)n1 ZINC000257312417 570142325 /nfs/dbraw/zinc/14/23/25/570142325.db2.gz UNWATPXJQMZOOX-FQEVSTJZSA-N 0 0 494.983 2.877 40 0 JFABRN COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2OCCN2CCCC2=O)CCN1C(C)=O ZINC000257312770 570142332 /nfs/dbraw/zinc/14/23/32/570142332.db2.gz UPLINEUEQTYLOP-QFIPXVFZSA-N 0 0 465.550 2.742 40 0 JFABRN O=C(CN1C(=O)S/C(=C/c2cc(Br)c(Br)o2)C1=O)N1CCOCC1 ZINC000409136168 570142344 /nfs/dbraw/zinc/14/23/44/570142344.db2.gz TYPLFKZNZLEZNT-UXBLZVDNSA-N 0 0 480.134 2.700 40 0 JFABRN CN1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)c3cnccn3)CC2)CC1 ZINC000257319998 570144412 /nfs/dbraw/zinc/14/44/12/570144412.db2.gz VUXUTINYSXQDTB-UHFFFAOYSA-N 0 0 471.989 2.596 40 0 JFABRN O=C(C[C@H]1CN(C(=O)CN2CCCCCC2=O)CC[C@@H]1Oc1cccc(Cl)c1)N1CCOCC1 ZINC000257321099 570144807 /nfs/dbraw/zinc/14/48/07/570144807.db2.gz WABMABBRMRFEFM-UGKGYDQZSA-N 0 0 492.016 2.587 40 0 JFABRN CC(=O)N1CCN(CC(=O)NCCc2nc3ccccc3[nH]2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257323022 570145430 /nfs/dbraw/zinc/14/54/30/570145430.db2.gz WILPCDZNYUQHLH-OAQYLSRUSA-N 0 0 484.604 2.793 40 0 JFABRN O=C(C[C@H]1CN(C(=O)c2ccnc(N3CCCC3)c2)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1 ZINC000257325351 570146118 /nfs/dbraw/zinc/14/61/18/570146118.db2.gz WSOWOVJLJXGTIG-URXFXBBRSA-N 0 0 496.583 2.980 40 0 JFABRN CC(C)Cc1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)n(C)n1 ZINC000257329704 570147380 /nfs/dbraw/zinc/14/73/80/570147380.db2.gz XLCYCBQASILULO-CPJSRVTESA-N 0 0 499.631 2.832 40 0 JFABRN O=C(CN1C(=O)COCC1=O)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000257330635 570147713 /nfs/dbraw/zinc/14/77/13/570147713.db2.gz XPGHNBYKGMUUIJ-LJQANCHMSA-N 0 0 461.440 2.740 40 0 JFABRN O=C(CN1C(=O)COCC1=O)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000257330634 570147722 /nfs/dbraw/zinc/14/77/22/570147722.db2.gz XPGHNBYKGMUUIJ-IBGZPJMESA-N 0 0 461.440 2.740 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000409147932 570147897 /nfs/dbraw/zinc/14/78/97/570147897.db2.gz WTPAEVYVEZAQLX-UHFFFAOYSA-N 0 0 468.531 2.996 40 0 JFABRN O=C(c1cccc(OCCN2CCCC2=O)c1)N1CCOC[C@@H](Cc2cccn3nccc23)C1 ZINC000257333751 570148678 /nfs/dbraw/zinc/14/86/78/570148678.db2.gz YCXMZIIVUYUZIM-FQEVSTJZSA-N 0 0 462.550 2.667 40 0 JFABRN CC(C)(NC(=O)Cc1cccc(F)c1)C(=O)N1CCOC[C@H](Cc2ccc3nccn3c2)C1 ZINC000257334663 570148851 /nfs/dbraw/zinc/14/88/51/570148851.db2.gz YGWNGNVHMUJQCG-HXUWFJFHSA-N 0 0 452.530 2.628 40 0 JFABRN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)NCc1ccccc1 ZINC000409154895 570150225 /nfs/dbraw/zinc/15/02/25/570150225.db2.gz OTTWHAUCSAWVQB-UHFFFAOYSA-N 0 0 453.568 2.574 40 0 JFABRN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1cc(F)ccc1C)C2 ZINC000257339566 570150239 /nfs/dbraw/zinc/15/02/39/570150239.db2.gz ZCHROJBUZUSTLW-DNRSQYFGSA-N 0 0 466.557 2.873 40 0 JFABRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)NCCc3ccccc3)n2C)cc1 ZINC000409156309 570150659 /nfs/dbraw/zinc/15/06/59/570150659.db2.gz NSJNGEZWQCQMBE-GOSISDBHSA-N 0 0 481.622 2.912 40 0 JFABRN O=C(CN1CCC[C@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1)N1CC(=O)Nc2ccccc21 ZINC000257342340 570150981 /nfs/dbraw/zinc/15/09/81/570150981.db2.gz ZOESZFOXXPRFPS-XMMPIXPASA-N 0 0 452.486 2.992 40 0 JFABRN CNC(=O)Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H](c2cccc(Nc3cc(C)[nH]n3)n2)C1 ZINC000257343685 570151451 /nfs/dbraw/zinc/15/14/51/570151451.db2.gz ZUAKGVYEJURCPQ-GOSISDBHSA-N 0 0 486.580 2.901 40 0 JFABRN CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)Cc2ccc(OC)cc2)n1C ZINC000409159310 570151489 /nfs/dbraw/zinc/15/14/89/570151489.db2.gz SMMFDSATCDNRTK-UHFFFAOYSA-N 0 0 453.568 2.976 40 0 JFABRN CCc1cc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)on1 ZINC000257344271 570151737 /nfs/dbraw/zinc/15/17/37/570151737.db2.gz ZWJHMOSNGRHFGF-DEOSSOPVSA-N 0 0 459.518 2.926 40 0 JFABRN Cc1cccc(C(=O)NCc2nn(CC(=O)N3CCN(c4ccccc4)CC3)c(=S)n2C)c1 ZINC000409160578 570151892 /nfs/dbraw/zinc/15/18/92/570151892.db2.gz UKOLUWCBSUHVBQ-UHFFFAOYSA-N 0 0 464.595 2.538 40 0 JFABRN CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260572192 570154411 /nfs/dbraw/zinc/15/44/11/570154411.db2.gz KSXFNZVAKGWKGR-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN CCc1ccc(N(CCCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260574196 570154583 /nfs/dbraw/zinc/15/45/83/570154583.db2.gz QGKOGILWSIJNGG-LJQANCHMSA-N 0 0 459.612 2.959 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260720304 570155189 /nfs/dbraw/zinc/15/51/89/570155189.db2.gz GPROHRZPAJSZLE-QGZVFWFLSA-N 0 0 479.574 2.542 40 0 JFABRN Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(=S)n1C ZINC000409172561 570155458 /nfs/dbraw/zinc/15/54/58/570155458.db2.gz KUFQBBLXIUWYLI-UHFFFAOYSA-N 0 0 498.634 2.867 40 0 JFABRN CCn1c2ccc(S(=O)(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2oc1=O ZINC000260734256 570155593 /nfs/dbraw/zinc/15/55/93/570155593.db2.gz HDWVXXYCOUZWDB-HSZRJFAPSA-N 0 0 493.541 2.887 40 0 JFABRN C[C@@H]1CCCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000260735250 570155718 /nfs/dbraw/zinc/15/57/18/570155718.db2.gz GEZAQEZKWRLIJU-RTBURBONSA-N 0 0 461.680 2.710 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260737350 570155827 /nfs/dbraw/zinc/15/58/27/570155827.db2.gz MEGOHCLLJYCEMJ-HXUWFJFHSA-N 0 0 459.612 2.600 40 0 JFABRN Cc1cccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260740975 570155914 /nfs/dbraw/zinc/15/59/14/570155914.db2.gz NEIZXBDRDPCGDT-HXUWFJFHSA-N 0 0 459.612 2.745 40 0 JFABRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000260746448 570156358 /nfs/dbraw/zinc/15/63/58/570156358.db2.gz XNGSOXDNTQPXBP-YWZLYKJASA-N 0 0 468.597 2.521 40 0 JFABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000260747005 570156386 /nfs/dbraw/zinc/15/63/86/570156386.db2.gz ZGRKUFQHXNBCPL-RTWAWAEBSA-N 0 0 482.624 2.911 40 0 JFABRN Cc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260754744 570156666 /nfs/dbraw/zinc/15/66/66/570156666.db2.gz QYJICINNZHAFQL-HXUWFJFHSA-N 0 0 459.612 2.745 40 0 JFABRN CC(C)c1ccc(OCC(=O)NCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 ZINC000409176029 570156868 /nfs/dbraw/zinc/15/68/68/570156868.db2.gz XFJRTADKUGVFMS-UHFFFAOYSA-N 0 0 454.556 2.760 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260761418 570157012 /nfs/dbraw/zinc/15/70/12/570157012.db2.gz UCQGCAJQAFCDGH-QGZVFWFLSA-N 0 0 479.574 2.542 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260844455 570160440 /nfs/dbraw/zinc/16/04/40/570160440.db2.gz BQDFKPUGZAJNGP-GOSISDBHSA-N 0 0 493.601 2.932 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000260858482 570161025 /nfs/dbraw/zinc/16/10/25/570161025.db2.gz AHTOMPDMVCKYAJ-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260865709 570161289 /nfs/dbraw/zinc/16/12/89/570161289.db2.gz COCQDNGAYRASHI-LJQANCHMSA-N 0 0 475.611 2.651 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260880312 570161468 /nfs/dbraw/zinc/16/14/68/570161468.db2.gz IEOXZDAPHPXXID-GOSISDBHSA-N 0 0 493.601 2.790 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC ZINC000260886183 570161545 /nfs/dbraw/zinc/16/15/45/570161545.db2.gz GHSGMJYGOLSWPW-QGZVFWFLSA-N 0 0 450.557 2.670 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000260896220 570162301 /nfs/dbraw/zinc/16/23/01/570162301.db2.gz DHOXVLXSPLGEGU-RTWAWAEBSA-N 0 0 488.654 2.940 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000260897683 570162403 /nfs/dbraw/zinc/16/24/03/570162403.db2.gz JYSPLISPQYPLED-HKUYNNGSSA-N 0 0 464.971 2.838 40 0 JFABRN COc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000409192842 570162545 /nfs/dbraw/zinc/16/25/45/570162545.db2.gz FWGURCNMIKXTHX-OVCLIPMQSA-N 0 0 460.284 2.998 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260899352 570162579 /nfs/dbraw/zinc/16/25/79/570162579.db2.gz NYORJSAADGTZHV-GOSISDBHSA-N 0 0 493.601 2.790 40 0 JFABRN COc1ccccc1OC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000260901772 570162806 /nfs/dbraw/zinc/16/28/06/570162806.db2.gz NTYIODFKKKYCHH-IRXDYDNUSA-N 0 0 450.532 2.819 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000260902179 570162818 /nfs/dbraw/zinc/16/28/18/570162818.db2.gz ONEOHMPEGMIKBQ-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN CCOc1ccc(N([C@H](CC)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000260902640 570162935 /nfs/dbraw/zinc/16/29/35/570162935.db2.gz UKSJWYZLHMIHNI-XMMPIXPASA-N 0 0 489.638 2.779 40 0 JFABRN CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000260907996 570163208 /nfs/dbraw/zinc/16/32/08/570163208.db2.gz VVGUMABBPYFCEO-UWJYYQICSA-N 0 0 482.599 2.897 40 0 JFABRN COc1ccc(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(=O)(=O)c2ccccc2)cc1OC ZINC000260910350 570163380 /nfs/dbraw/zinc/16/33/80/570163380.db2.gz YBKWVZMQNSJNEA-IBGZPJMESA-N 0 0 498.557 2.855 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000260929232 570165033 /nfs/dbraw/zinc/16/50/33/570165033.db2.gz VXFBNPVIQLXCGY-LJQANCHMSA-N 0 0 487.622 2.845 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000260933952 570165226 /nfs/dbraw/zinc/16/52/26/570165226.db2.gz XIPBYGJHNVWCRI-GOSISDBHSA-N 0 0 493.601 2.790 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C ZINC000260938994 570165491 /nfs/dbraw/zinc/16/54/91/570165491.db2.gz ZNRJOSOBKBHRGA-OAQYLSRUSA-N 0 0 488.654 2.797 40 0 JFABRN CC[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000260949542 570166046 /nfs/dbraw/zinc/16/60/46/570166046.db2.gz XRDPIJRISMROGF-QRWLVFNGSA-N 0 0 468.597 2.521 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000260959602 570166251 /nfs/dbraw/zinc/16/62/51/570166251.db2.gz KVKQBUPISKNFCC-OALUTQOASA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000260953781 570166253 /nfs/dbraw/zinc/16/62/53/570166253.db2.gz KECAADIXHXTHKT-MSOLQXFVSA-N 0 0 493.601 2.932 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000260960361 570166263 /nfs/dbraw/zinc/16/62/63/570166263.db2.gz XNRLVIAGBLFBRO-GOSISDBHSA-N 0 0 493.601 2.790 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000260980866 570166503 /nfs/dbraw/zinc/16/65/03/570166503.db2.gz NZCUHIMGYVRIPY-UXHICEINSA-N 0 0 489.638 2.836 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000260996748 570166631 /nfs/dbraw/zinc/16/66/31/570166631.db2.gz QWQOJHYBNWVVNB-SFTDATJTSA-N 0 0 488.654 2.940 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000261001287 570166650 /nfs/dbraw/zinc/16/66/50/570166650.db2.gz RSFRITXUZQIFHC-UXHICEINSA-N 0 0 489.638 2.836 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000261014108 570166776 /nfs/dbraw/zinc/16/67/76/570166776.db2.gz UXMDTHYXKPQLHR-MSOLQXFVSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1OC ZINC000409204869 570166837 /nfs/dbraw/zinc/16/68/37/570166837.db2.gz CVCANMSCWJDHNE-UHFFFAOYSA-N 0 0 484.574 2.920 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000261019266 570166904 /nfs/dbraw/zinc/16/69/04/570166904.db2.gz VVLTUGHQLPBIAH-SFTDATJTSA-N 0 0 473.639 2.990 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)cc2)cc1OC ZINC000409207094 570167486 /nfs/dbraw/zinc/16/74/86/570167486.db2.gz OWIQTNLVQJAVCF-UHFFFAOYSA-N 0 0 476.595 2.862 40 0 JFABRN C[C@H](CO)Nc1nc(Nc2ccc(I)cc2F)cc(-c2ccccn2)n1 ZINC000328971208 570179964 /nfs/dbraw/zinc/17/99/64/570179964.db2.gz DOAZEQGWKWKCAQ-LLVKDONJSA-N 0 0 465.270 2.662 40 0 JFABRN C[C@@H](CO)Nc1nc(Nc2ccc(I)cc2F)cc(-c2ccncc2)n1 ZINC000329011499 570181463 /nfs/dbraw/zinc/18/14/63/570181463.db2.gz MFSPYGXFUMKPCQ-NSHDSACASA-N 0 0 465.270 2.662 40 0 JFABRN O=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)cc1)N1CCOCC1 ZINC000409241058 570181889 /nfs/dbraw/zinc/18/18/89/570181889.db2.gz WTYNQOVQZYOVNN-MOSHPQCFSA-N 0 0 455.898 2.671 40 0 JFABRN COC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(OC)cc2)C1=O ZINC000409247910 570184954 /nfs/dbraw/zinc/18/49/54/570184954.db2.gz DVTXTOWLVNPYJR-WOJGMQOQSA-N 0 0 456.476 2.922 40 0 JFABRN COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1Br ZINC000409253172 570186372 /nfs/dbraw/zinc/18/63/72/570186372.db2.gz YXCMLANVRNMCAD-XNTDXEJSSA-N 0 0 460.284 2.998 40 0 JFABRN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000408534436 570189474 /nfs/dbraw/zinc/18/94/74/570189474.db2.gz SIKNMJPCPSFIOT-UHFFFAOYSA-N 0 0 468.531 2.897 40 0 JFABRN Cn1c(CN2CCOCC2)nnc1SCC(=O)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 ZINC000408536911 570190600 /nfs/dbraw/zinc/19/06/00/570190600.db2.gz TZCLNFAPXFSAPS-AEFFLSMTSA-N 0 0 455.609 2.742 40 0 JFABRN COC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(I)cc2)C1=O ZINC000408548928 570194336 /nfs/dbraw/zinc/19/43/36/570194336.db2.gz NNUCVISZELHGKB-MHWRWJLKSA-N 0 0 492.269 2.936 40 0 JFABRN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 ZINC000408550192 570194886 /nfs/dbraw/zinc/19/48/86/570194886.db2.gz BAYJLZCSBJYIOO-MRXNPFEDSA-N 0 0 462.524 2.530 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000408555301 570196758 /nfs/dbraw/zinc/19/67/58/570196758.db2.gz WKRSXXWLTFCFII-KRWDZBQOSA-N 0 0 476.551 2.920 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1C ZINC000408555507 570196867 /nfs/dbraw/zinc/19/68/67/570196867.db2.gz AZUSMCZUUIZTRB-UHFFFAOYSA-N 0 0 460.552 2.840 40 0 JFABRN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000408555469 570196880 /nfs/dbraw/zinc/19/68/80/570196880.db2.gz XELXBHRSENPNFI-MRXNPFEDSA-N 0 0 462.524 2.530 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000408556897 570197769 /nfs/dbraw/zinc/19/77/69/570197769.db2.gz FFKXOUILGQZNFJ-LJQANCHMSA-N 0 0 475.586 2.974 40 0 JFABRN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000408557703 570198430 /nfs/dbraw/zinc/19/84/30/570198430.db2.gz HKXHQYIHXGQUDN-HNNXBMFYSA-N 0 0 464.540 2.760 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000409310259 570199023 /nfs/dbraw/zinc/19/90/23/570199023.db2.gz SVQGJCKBFQKPFY-UHFFFAOYSA-N 0 0 467.613 2.739 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000409313353 570199667 /nfs/dbraw/zinc/19/96/67/570199667.db2.gz IQSPVEOODICFDU-UHFFFAOYSA-N 0 0 486.377 2.871 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000408560830 570200716 /nfs/dbraw/zinc/20/07/16/570200716.db2.gz QHEUQRSXAWNMLR-JOCHJYFZSA-N 0 0 471.623 2.830 40 0 JFABRN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OCC)c(C)c3)C2)CC1 ZINC000408561111 570200777 /nfs/dbraw/zinc/20/07/77/570200777.db2.gz QSOUXRYLHDIWHO-IBGZPJMESA-N 0 0 466.600 2.596 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)NC[C@H]1CCCO1 ZINC000408561663 570201294 /nfs/dbraw/zinc/20/12/94/570201294.db2.gz UTGJMQNOFJSALR-QGZVFWFLSA-N 0 0 469.357 2.924 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000409326376 570202181 /nfs/dbraw/zinc/20/21/81/570202181.db2.gz JWQIAQCLGXQKIP-UHFFFAOYSA-N 0 0 468.915 2.626 40 0 JFABRN CCN(CC)C(=O)C(=O)c1cn(CC(=O)NCCOc2ccccc2OC)c2ccccc12 ZINC000408565486 570203349 /nfs/dbraw/zinc/20/33/49/570203349.db2.gz CBKDHRLPISFAGW-UHFFFAOYSA-N 0 0 451.523 2.896 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2cccc(Cl)c2Cl)cc1 ZINC000408577332 570206126 /nfs/dbraw/zinc/20/61/26/570206126.db2.gz YWEVWIBRFGFISH-UHFFFAOYSA-N 0 0 486.421 2.946 40 0 JFABRN NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1 ZINC000408583999 570207405 /nfs/dbraw/zinc/20/74/05/570207405.db2.gz LCYXAJFNVDNPKR-UHFFFAOYSA-N 0 0 451.932 2.677 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc(C(=O)OC)c1 ZINC000408584457 570207595 /nfs/dbraw/zinc/20/75/95/570207595.db2.gz PWNCEELAEJSRPB-MRXNPFEDSA-N 0 0 474.535 2.608 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(NC(C)=O)c3)C2)cc1OC ZINC000408584981 570207857 /nfs/dbraw/zinc/20/78/57/570207857.db2.gz XJJZOFJMDYKUDU-MRXNPFEDSA-N 0 0 461.540 2.702 40 0 JFABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc(C(=O)OC)c1 ZINC000408585541 570207953 /nfs/dbraw/zinc/20/79/53/570207953.db2.gz ZIOAGWZOAHDPFF-UHFFFAOYSA-N 0 0 461.496 2.688 40 0 JFABRN C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl ZINC000408589171 570208704 /nfs/dbraw/zinc/20/87/04/570208704.db2.gz DUKQNYRVUKWISZ-QGZVFWFLSA-N 0 0 466.987 2.877 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3ccnc3)CC2)cc1Cl ZINC000408589430 570208781 /nfs/dbraw/zinc/20/87/81/570208781.db2.gz FPCGRWWLXHNQJR-UHFFFAOYSA-N 0 0 454.980 2.542 40 0 JFABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCCn2ccnc2)CC1 ZINC000408592163 570209337 /nfs/dbraw/zinc/20/93/37/570209337.db2.gz KISWMCHMTKNJMK-UHFFFAOYSA-N 0 0 454.980 2.542 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C ZINC000408592180 570209390 /nfs/dbraw/zinc/20/93/90/570209390.db2.gz KKSYXYWXYQQXDS-UHFFFAOYSA-N 0 0 480.539 2.503 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000408592732 570209524 /nfs/dbraw/zinc/20/95/24/570209524.db2.gz LMKGLBHTYLYTSX-OAHLLOKOSA-N 0 0 492.550 2.538 40 0 JFABRN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 ZINC000408592972 570209641 /nfs/dbraw/zinc/20/96/41/570209641.db2.gz LGGLJZCPRDFTJZ-LLVKDONJSA-N 0 0 460.293 2.605 40 0 JFABRN CC1=C[C@@H](CNC(=O)COc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN1CCOCC1 ZINC000030880054 291482493 /nfs/dbraw/zinc/48/24/93/291482493.db2.gz UHLZZXPCXBEOJE-LSQMVHIFSA-N 0 0 471.642 2.875 40 0 biogenic,in-vitro JFABRN CO[C@]12C[C@@H]3[C@H]([C@H](C)C1=CC(=O)O2)[C@H](O)[C@H](OC(C)=O)[C@@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@@]31C ZINC000253389908 291485846 /nfs/dbraw/zinc/48/58/46/291485846.db2.gz MIFAMIONJNEQDA-XRGBJWALSA-N 0 0 464.555 2.765 40 0 biogenic,in-vitro JFABRN COc1ccc(NC(=O)N2CC[C@H]3CC(=O)N([C@@H](Cc4ccccc4)C(N)=O)CC[C@H]3C2)cc1 ZINC000015673094 291487176 /nfs/dbraw/zinc/48/71/76/291487176.db2.gz AWCLLPAZJXFYIS-JTAQYXEDSA-N 0 0 464.566 2.884 40 0 biogenic,in-vitro JFABRN Cc1cc2ccccc2n2c(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc12 ZINC000000877060 193939909 /nfs/dbraw/zinc/93/99/09/193939909.db2.gz MRXNZNXKHMJZCF-UHFFFAOYSA-N 0 0 497.602 2.943 40 0 JFABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)c1 ZINC000000883751 193945091 /nfs/dbraw/zinc/94/50/91/193945091.db2.gz PSKVDWLWUXXZQD-UHFFFAOYSA-N 0 0 487.607 2.542 40 0 JFABRN CC(C)c1ccc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)Cn2nnc(-c3cccs3)n2)cc1 ZINC000000887638 193949341 /nfs/dbraw/zinc/94/93/41/193949341.db2.gz UITYQPJLTFIUEO-IBGZPJMESA-N 0 0 468.583 2.853 40 0 JFABRN O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000922372 193973196 /nfs/dbraw/zinc/97/31/96/193973196.db2.gz BYSCSWPACXJSNZ-UHFFFAOYSA-N 0 0 458.519 2.729 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000000926443 193978394 /nfs/dbraw/zinc/97/83/94/193978394.db2.gz HRDBGDYRLYKVSJ-UHFFFAOYSA-N 0 0 452.540 2.650 40 0 JFABRN CCN(CC)C(=O)Cn1nc(-c2ccncc2)nc1SCC(=O)Nc1ccc(OC)cc1 ZINC000001225093 194076306 /nfs/dbraw/zinc/07/63/06/194076306.db2.gz OPLCEGOKXFMZDH-UHFFFAOYSA-N 0 0 454.556 2.948 40 0 JFABRN Cn1c2nc(SCc3cc(=O)[nH]c4ccccc34)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000001222968 194075044 /nfs/dbraw/zinc/07/50/44/194075044.db2.gz JECHUICOSJLLEQ-UHFFFAOYSA-N 0 0 477.521 2.755 40 0 JFABRN Cc1ccc(-n2ncc3c2ncn(CC(=O)N2CCN(c4ccccc4F)CC2)c3=O)cc1C ZINC000001330659 194089221 /nfs/dbraw/zinc/08/92/21/194089221.db2.gz IAFODEBYCVXEJS-UHFFFAOYSA-N 0 0 460.513 2.687 40 0 JFABRN COc1ccc(CCNC(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)cc1OC ZINC000001330963 194089373 /nfs/dbraw/zinc/08/93/73/194089373.db2.gz GLJHHRGETURDRT-UHFFFAOYSA-N 0 0 467.913 2.612 40 0 JFABRN O=C(CSc1nnc2n(CC(=O)N3CCCC3)c3ccccc3n12)N1CCc2ccccc21 ZINC000001325762 194086753 /nfs/dbraw/zinc/08/67/53/194086753.db2.gz IRPOTMKHANIVMV-UHFFFAOYSA-N 0 0 460.563 2.988 40 0 JFABRN CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)N4CCN(C(=O)c5ccco5)CC4)c(=O)c32)C1 ZINC000001331981 194090218 /nfs/dbraw/zinc/09/02/18/194090218.db2.gz ZGCPVKYZIWSZPM-HNNXBMFYSA-N 0 0 483.594 2.582 40 0 JFABRN Cc1cc2cc(CN(C[C@H]3COCCO3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000001335239 194094000 /nfs/dbraw/zinc/09/40/00/194094000.db2.gz VSJYZMNMZFNSOG-FQEVSTJZSA-N 0 0 460.527 2.890 40 0 JFABRN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)C(C)(C)C)cc1 ZINC000001341918 194098388 /nfs/dbraw/zinc/09/83/88/194098388.db2.gz YPLWSXAJFIIDBK-UHFFFAOYSA-N 0 0 452.598 2.791 40 0 JFABRN CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001347183 194099480 /nfs/dbraw/zinc/09/94/80/194099480.db2.gz TZMWNXYGRPRCSK-IBGZPJMESA-N 0 0 468.583 2.827 40 0 JFABRN COc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)C2)cc1OC ZINC000001334268 194092977 /nfs/dbraw/zinc/09/29/77/194092977.db2.gz JAMYAZWQKBCAQD-IBGZPJMESA-N 0 0 488.548 2.908 40 0 JFABRN COc1ccccc1C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[nH]2)C1 ZINC000001334259 194093071 /nfs/dbraw/zinc/09/30/71/194093071.db2.gz JLRMGUWAMCMTHE-GOSISDBHSA-N 0 0 458.522 2.900 40 0 JFABRN COc1ccccc1C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[nH]2)C1 ZINC000001334256 194093144 /nfs/dbraw/zinc/09/31/44/194093144.db2.gz JLRMGUWAMCMTHE-SFHVURJKSA-N 0 0 458.522 2.900 40 0 JFABRN CC(C)(C)n1nnnc1CN(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001373719 194107549 /nfs/dbraw/zinc/10/75/49/194107549.db2.gz ZOHLNILJDBRDRO-UHFFFAOYSA-N 0 0 461.526 2.638 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCC1)C[C@@H]1CCCO1)OCCO3 ZINC000001373766 194107667 /nfs/dbraw/zinc/10/76/67/194107667.db2.gz AFBOCINYSNOPJH-IBGZPJMESA-N 0 0 466.542 2.582 40 0 JFABRN COc1cccc(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000001357076 194101298 /nfs/dbraw/zinc/10/12/98/194101298.db2.gz YEIGIWUCKPTHJS-UHFFFAOYSA-N 0 0 479.518 2.791 40 0 JFABRN O=S(=O)(c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCCCC1 ZINC000001362887 194102597 /nfs/dbraw/zinc/10/25/97/194102597.db2.gz JAXKYNALHUFPBM-UHFFFAOYSA-N 0 0 467.588 2.511 40 0 JFABRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(Nc3ccc(Cl)cc3)nc(N3CCOCC3)n2)C1 ZINC000001424682 194118863 /nfs/dbraw/zinc/11/88/63/194118863.db2.gz XFOFGEBWWSZCKF-DLBZAZTESA-N 0 0 479.972 2.891 40 0 JFABRN COc1cc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(C)=O)ccc1OC(F)F ZINC000001460602 194124293 /nfs/dbraw/zinc/12/42/93/194124293.db2.gz ALLPJLCWFDWYQA-AGYHVBATSA-N 0 0 486.496 2.885 40 0 JFABRN CNC(=O)OCc1c(COC(=O)NC)c2n(c1-c1ccc(Cl)c(Cl)c1)CCS2(=O)=O ZINC000001592873 194129051 /nfs/dbraw/zinc/12/90/51/194129051.db2.gz XEMOGLMHKCTSJM-UHFFFAOYSA-N 0 0 476.338 2.961 40 0 JFABRN C=CNC(=S)n1nc(-c2ccccc2NC(=O)C(F)(F)F)c(=O)n(C(=S)NC=C)c1=S ZINC000001617158 194129578 /nfs/dbraw/zinc/12/95/78/194129578.db2.gz FFLNCWNLBCUZJK-UHFFFAOYSA-N 0 0 486.526 2.674 40 0 JFABRN O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(NC3=NCCN3)cc2)cc1 ZINC000001684441 194131437 /nfs/dbraw/zinc/13/14/37/194131437.db2.gz HNIHDEWKXWMRLL-UHFFFAOYSA-N 0 0 482.548 2.933 40 0 JFABRN COc1ccc(OC)c(N(CCN2C(=O)c3ccccc3C2=O)C(=O)[C@H]2CCC(=O)[C@@H]2C)c1 ZINC000001753239 194134517 /nfs/dbraw/zinc/13/45/17/194134517.db2.gz HMKVEALMQQSOHB-WBVHZDCISA-N 0 0 450.491 2.948 40 0 JFABRN CC(=O)[C@@H]1C[C@H](CC(=O)N[C@H](O)C(Br)(Br)Br)C1(C)C ZINC000003102263 194225905 /nfs/dbraw/zinc/22/59/05/194225905.db2.gz ACVOQMCJYKGONO-KHQFGBGNSA-N 0 0 463.992 2.901 40 0 JFABRN O=C(Cc1cccs1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(NS(=O)(=O)c3cccs3)ccc12 ZINC000003841403 194363595 /nfs/dbraw/zinc/36/35/95/194363595.db2.gz CDXWGUPCGBGTAN-LSDHHAIUSA-N 0 0 475.617 2.961 40 0 biogenic,in-vitro JFABRN CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCO2 ZINC000004092246 194376822 /nfs/dbraw/zinc/37/68/22/194376822.db2.gz YJDBMFFLQVBFGK-QFIPXVFZSA-N 0 0 478.505 2.822 40 0 JFABRN O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)CO[C@H]12 ZINC000004222837 194385429 /nfs/dbraw/zinc/38/54/29/194385429.db2.gz QLAGRICCZIUNOG-DXBBTUNJSA-N 0 0 460.552 2.712 40 0 biogenic,in-vitro JFABRN O=C(COc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)COc2ccccc2)C1 ZINC000004236322 194385458 /nfs/dbraw/zinc/38/54/58/194385458.db2.gz MWZXCPLCDJGOEJ-VQTJNVASSA-N 0 0 473.529 2.891 40 0 biogenic,in-vitro JFABRN C[C@@]1(CO)[C@H](OC(=O)Nc2cccc(F)c2)CC[C@]2(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)N1CC[C@@H](O)C1 ZINC000004236747 194385621 /nfs/dbraw/zinc/38/56/21/194385621.db2.gz HNWPXDZJVCIFDF-ZNJZWBQQSA-N 0 0 492.588 2.912 40 0 biogenic,in-vitro JFABRN Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccc3c(c2)OCCO3)no1 ZINC000004400306 194388827 /nfs/dbraw/zinc/38/88/27/194388827.db2.gz DFGRXLCBXZBMEZ-UHFFFAOYSA-N 0 0 456.499 2.565 40 0 JFABRN COc1ccc(CCN(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)cc1OC ZINC000004409843 194389405 /nfs/dbraw/zinc/38/94/05/194389405.db2.gz IRAVNNDCJUDUCP-UHFFFAOYSA-N 0 0 486.569 2.849 40 0 JFABRN COc1c(I)cc(CSC[C@@H]([NH3+])C(=O)[O-])cc1I ZINC000004792040 194399995 /nfs/dbraw/zinc/39/99/95/194399995.db2.gz ZRYYPTCFMQMBIC-SECBINFHSA-N 0 0 493.104 2.550 40 0 JFABRN COCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006239034 194421583 /nfs/dbraw/zinc/42/15/83/194421583.db2.gz WMCSQCRAWDGAIZ-UHFFFAOYSA-N 0 0 457.527 2.962 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000009011556 194504124 /nfs/dbraw/zinc/50/41/24/194504124.db2.gz NGVDAZUVMXQNQJ-UHFFFAOYSA-N 0 0 462.414 2.658 40 0 JFABRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2)C[C@H](C)O1 ZINC000009439209 194784801 /nfs/dbraw/zinc/78/48/01/194784801.db2.gz BYLRACUWOMCBFA-ZIKOTGLESA-N 0 0 466.600 2.582 40 0 JFABRN COc1ccc(-c2nc3c4ccccc4nc(SCC(=O)N4CCC(C(N)=O)CC4)n3n2)cc1 ZINC000009939914 195029052 /nfs/dbraw/zinc/02/90/52/195029052.db2.gz NMOBHCPTMTYRKQ-UHFFFAOYSA-N 0 0 476.562 2.769 40 0 JFABRN CCOC(=O)N1CCN(C(=O)Nc2ccc(C)c(NC(=O)N3CCN(C(=O)OCC)CC3)c2)CC1 ZINC000009960751 195039122 /nfs/dbraw/zinc/03/91/22/195039122.db2.gz HUBXTXIRAQSOIL-UHFFFAOYSA-N 0 0 490.561 2.607 40 0 JFABRN O=C(NC1CCCC1)C(=O)N(Cc1ccco1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012640840 195070450 /nfs/dbraw/zinc/07/04/50/195070450.db2.gz MMBKEGRJHZHNBI-UNMCSNQZSA-N 0 0 471.529 2.843 40 0 JFABRN O=C(Nc1ccccc1)[C@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N(Cc1cccnc1)[C@@H]3C(=O)NC1CCCCC1 ZINC000012642241 195071928 /nfs/dbraw/zinc/07/19/28/195071928.db2.gz BHXYDEVEZPKUAB-SUWSLWCISA-N 0 0 486.572 2.820 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H]1N(C2CCCC2)C(=O)[C@H]2[C@@H](C(=O)NCc3cccs3)[C@H]3C=C[C@@]12O3 ZINC000012645291 195074028 /nfs/dbraw/zinc/07/40/28/195074028.db2.gz OFTGLLBKGULVDB-VVIUBNQASA-N 0 0 471.623 2.762 40 0 JFABRN COC(=O)c1ccc([C@@H]2[C@@H](C(=O)OCC(C)C)[C@](C)(O)CC(=O)[C@H]2C(=O)OCC(C)C)cc1 ZINC000012661072 195080849 /nfs/dbraw/zinc/08/08/49/195080849.db2.gz KCYAMSVWSIIKMK-UGCAPWQASA-N 0 0 462.539 2.911 40 0 JFABRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c2)C[C@H](C)O1 ZINC000012661147 195081003 /nfs/dbraw/zinc/08/10/03/195081003.db2.gz BYLRACUWOMCBFA-YXZMJPADSA-N 0 0 466.600 2.582 40 0 JFABRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c2)C[C@H](C)O1 ZINC000012661151 195081006 /nfs/dbraw/zinc/08/10/06/195081006.db2.gz BYLRACUWOMCBFA-QKIGPUQLSA-N 0 0 466.600 2.582 40 0 JFABRN COc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000012685884 195086080 /nfs/dbraw/zinc/08/60/80/195086080.db2.gz HUQPKIUSAKXMDT-AWEZNQCLSA-N 0 0 454.932 2.776 40 0 JFABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000012701185 195091359 /nfs/dbraw/zinc/09/13/59/195091359.db2.gz VSGOTLIGNHFAJT-QGZVFWFLSA-N 0 0 480.544 2.964 40 0 JFABRN COc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)Cn1nnc(-c2ccc(C)o2)n1 ZINC000012705057 195092365 /nfs/dbraw/zinc/09/23/65/195092365.db2.gz FYFYFDUSFZOLLD-UHFFFAOYSA-N 0 0 452.515 2.732 40 0 JFABRN COc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000012705046 195092475 /nfs/dbraw/zinc/09/24/75/195092475.db2.gz NNPUUFRUWXGJNY-UHFFFAOYSA-N 0 0 466.517 2.970 40 0 JFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1 ZINC000012711234 195095210 /nfs/dbraw/zinc/09/52/10/195095210.db2.gz KBDDWHRCDNJBDA-DNVCBOLYSA-N 0 0 499.618 2.877 40 0 JFABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1 ZINC000012711239 195095349 /nfs/dbraw/zinc/09/53/49/195095349.db2.gz KBDDWHRCDNJBDA-BEFAXECRSA-N 0 0 499.618 2.877 40 0 JFABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000012714692 195096679 /nfs/dbraw/zinc/09/66/79/195096679.db2.gz BIVLLGCNSAILIK-GOSISDBHSA-N 0 0 471.539 2.761 40 0 JFABRN CCOc1cc(/C=c2\s/c(=C\C(=O)C(C)(C)C)n(C)c2=O)cc(Br)c1OC ZINC000012818094 195147970 /nfs/dbraw/zinc/14/79/70/195147970.db2.gz CFZGAKNSAZQDSX-KUHAVHCNSA-N 0 0 454.386 2.841 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000020802473 195227635 /nfs/dbraw/zinc/22/76/35/195227635.db2.gz SPFVEYPNDKNLKE-FGZHOGPDSA-N 0 0 483.521 2.824 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000020802496 195227724 /nfs/dbraw/zinc/22/77/24/195227724.db2.gz VNWLMACCFMIOPO-WOJBJXKFSA-N 0 0 469.494 2.521 40 0 JFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000020802458 195227754 /nfs/dbraw/zinc/22/77/54/195227754.db2.gz KQFAEYZCVZTHMX-PMACEKPBSA-N 0 0 483.521 2.824 40 0 JFABRN CCOC(=O)C1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000057589813 195351676 /nfs/dbraw/zinc/35/16/76/195351676.db2.gz RXWPJYHAJHDHCN-REWPJTCUSA-N 0 0 494.596 2.675 40 0 JFABRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)cc2c1 ZINC000057589803 195351854 /nfs/dbraw/zinc/35/18/54/195351854.db2.gz GWUBDFZOYBQYID-QHCPKHFHSA-N 0 0 462.529 2.865 40 0 JFABRN COCCn1nnnc1CN(Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057640429 195354071 /nfs/dbraw/zinc/35/40/71/195354071.db2.gz AJQFYKZFJQCFNW-UHFFFAOYSA-N 0 0 482.516 2.520 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](C(C)C)N2CCN(c3ccccc3)CC2)cc1 ZINC000057671742 195357189 /nfs/dbraw/zinc/35/71/89/195357189.db2.gz QUGHTILCABXQAP-QFIPXVFZSA-N 0 0 454.600 2.932 40 0 JFABRN COc1cc2[nH]c(=O)c(CNc3ccc(N4CCC(C(N)=O)CC4)cc3)cc2c(OC)c1OC ZINC000057718114 195358018 /nfs/dbraw/zinc/35/80/18/195358018.db2.gz LCFQHUOEKFAOHZ-UHFFFAOYSA-N 0 0 466.538 2.868 40 0 JFABRN Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)N(C2CCCCC2)C2CCCCC2)N(C)S(=O)(=O)N1 ZINC000057730584 195358933 /nfs/dbraw/zinc/35/89/33/195358933.db2.gz GOZNFZDZAQSTHB-LEWJYISDSA-N 0 0 451.637 2.802 40 0 JFABRN CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000057730867 195358970 /nfs/dbraw/zinc/35/89/70/195358970.db2.gz FDIQXLZCVPTJCE-CQSZACIVSA-N 0 0 451.433 2.634 40 0 JFABRN CC(=O)NC(=S)Nc1cccc(Cl)c1N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000021577596 195315964 /nfs/dbraw/zinc/31/59/64/195315964.db2.gz OFOBPNCQWGOZFZ-UHFFFAOYSA-N 0 0 467.016 2.992 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000059306139 195397327 /nfs/dbraw/zinc/39/73/27/195397327.db2.gz PCJKULMAJHZEKP-AFHVAHMMSA-N 0 0 482.533 2.955 40 0 JFABRN COCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl ZINC000408635957 195487358 /nfs/dbraw/zinc/48/73/58/195487358.db2.gz KJUZVIFPEWLXMI-UHFFFAOYSA-N 0 0 452.960 2.619 40 0 JFABRN COc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)c4ccoc4C)CC3)O2)c1 ZINC000096036650 129954989 /nfs/dbraw/zinc/95/49/89/129954989.db2.gz DJUONRWIUFRUPV-OAQYLSRUSA-N 0 0 464.522 2.640 40 0 JFABRN COCCN1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Br)cc4C=C[C@@H]3[C@H]2C1=O ZINC000096318564 130063795 /nfs/dbraw/zinc/06/37/95/130063795.db2.gz PUVVJEGYMVFOQC-BRSBDYLESA-N 0 0 461.356 2.896 40 0 JFABRN CC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(N(C(=O)C3CCCCC3)S(C)(=O)=O)cc12 ZINC000008753919 518236502 /nfs/dbraw/zinc/23/65/02/518236502.db2.gz WSDDYXQVPIQERV-UHFFFAOYSA-N 0 0 454.570 2.833 40 0 JFABRN CC(C)CCNC(=O)[C@@H](c1ccco1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 ZINC000006134304 519659372 /nfs/dbraw/zinc/65/93/72/519659372.db2.gz RQRSWUKBBVYIFY-GOSISDBHSA-N 0 0 455.540 2.968 40 0 JFABRN CC(C)CCNC(=O)[C@H](c1cccs1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21 ZINC000020109327 519660964 /nfs/dbraw/zinc/66/09/64/519660964.db2.gz WJOFVDIEZGZPAK-DEOSSOPVSA-N 0 0 498.653 2.557 40 0 JFABRN CC(=O)N[C@@H](Cc1cc(C)ccc1C)C(=O)N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000006551284 519687541 /nfs/dbraw/zinc/68/75/41/519687541.db2.gz VMHJKRUTYXDXMP-DEOSSOPVSA-N 0 0 464.566 2.930 40 0 JFABRN CC(C)NC(=O)CCn1c2nnc(SCC(=O)Nc3ccccc3F)n2c2ccccc2c1=O ZINC000033292021 519704417 /nfs/dbraw/zinc/70/44/17/519704417.db2.gz NTJLUOMRSCNUHN-UHFFFAOYSA-N 0 0 482.541 2.829 40 0 JFABRN CC(C)Oc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000022427717 519780401 /nfs/dbraw/zinc/78/04/01/519780401.db2.gz DZCXJQJXHBKYLP-INIZCTEOSA-N 0 0 468.597 2.521 40 0 JFABRN CC(C)[C@@H](C(=O)NC(C)(C)C)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503187 519788985 /nfs/dbraw/zinc/78/89/85/519788985.db2.gz RFWUPMPINOMTED-PXNSSMCTSA-N 0 0 488.050 2.565 40 0 JFABRN CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000036213528 519799260 /nfs/dbraw/zinc/79/92/60/519799260.db2.gz FRWLGKIXKPDFOZ-VMUDFCTBSA-N 0 0 495.425 2.864 40 0 JFABRN CC(C)c1ccc(N2C(=S)N[C@@H]3[C@H]2[C@H](C(=O)N(C)Cc2ccccc2)C[C@@H](O)[C@@H]3O)cc1 ZINC000008636416 519836788 /nfs/dbraw/zinc/83/67/88/519836788.db2.gz ZLDVUIVYUPSBFN-JLMDMGSGSA-N 0 0 453.608 2.642 40 0 biogenic,in-vitro JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000033497408 520486661 /nfs/dbraw/zinc/48/66/61/520486661.db2.gz RLEKSHMHTOKPOD-ACEGTKJHSA-N 0 0 470.572 2.877 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000002987311 520490284 /nfs/dbraw/zinc/49/02/84/520490284.db2.gz LQCGQVLKHZECAF-WLJFKGHSSA-N 0 0 464.543 2.816 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495314 520920693 /nfs/dbraw/zinc/92/06/93/520920693.db2.gz QACJUWQYTJEAOD-JOCHJYFZSA-N 0 0 475.553 2.935 40 0 JFABRN CCOc1ccc(N(CC(=O)N2CCC(C(=O)OC)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000013671840 521022035 /nfs/dbraw/zinc/02/20/35/521022035.db2.gz XFQBONNIHTTWIL-UHFFFAOYSA-N 0 0 460.552 2.692 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1Cl ZINC000016692580 521185396 /nfs/dbraw/zinc/18/53/96/521185396.db2.gz WHHVAGVYWFNASR-UHFFFAOYSA-N 0 0 498.941 2.571 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(I)cc2)cc1 ZINC000016691865 521185582 /nfs/dbraw/zinc/18/55/82/521185582.db2.gz UJJFWXFHXBIZQK-UHFFFAOYSA-N 0 0 474.320 2.949 40 0 JFABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N ZINC000006077464 521344673 /nfs/dbraw/zinc/34/46/73/521344673.db2.gz HNHIGYHYXBBMBA-IBGZPJMESA-N 0 0 496.593 2.613 40 0 JFABRN CCCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c1c(=O)n(C)c(=O)n2C ZINC000006162149 521372852 /nfs/dbraw/zinc/37/28/52/521372852.db2.gz LIHHQQKEIMIFQA-UHFFFAOYSA-N 0 0 469.489 2.983 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1C ZINC000013612531 521536711 /nfs/dbraw/zinc/53/67/11/521536711.db2.gz SOBCJGSMRFYWKN-UHFFFAOYSA-N 0 0 450.513 2.594 40 0 JFABRN CCCn1c2nnc(SCC(=O)NC(C)(C)C)n2c2cc(C(=O)N[C@@H](C)CC)ccc2c1=O ZINC000033256629 521641408 /nfs/dbraw/zinc/64/14/08/521641408.db2.gz JFMYVNOMTNCIJE-AWEZNQCLSA-N 0 0 472.615 2.989 40 0 JFABRN CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1)c1ccc2c(c1)OCCO2 ZINC000022526573 521659162 /nfs/dbraw/zinc/65/91/62/521659162.db2.gz DGOPOCAFULSAOM-OAHLLOKOSA-N 0 0 464.540 2.509 40 0 JFABRN COc1c2c(c(C)c3c1C[C@H]1[C@@]4(C)CCC(=O)OC(C)(C)[C@@]4(O)[C@H](O)C[C@]1(C)O3)COC2=O ZINC000035455499 521885207 /nfs/dbraw/zinc/88/52/07/521885207.db2.gz ZVTVYIVILDSYIK-UDQBGZTMSA-N 0 0 460.523 2.601 40 0 biogenic,in-vitro JFABRN COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000019568165 522154568 /nfs/dbraw/zinc/15/45/68/522154568.db2.gz LUGLLDSGRXUBLT-XMMPIXPASA-N 0 0 491.571 2.829 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3ccccc3F)nnc1n(C)c2=O ZINC000033256792 522220667 /nfs/dbraw/zinc/22/06/67/522220667.db2.gz TWSWSXCFFITVBY-CYBMUJFWSA-N 0 0 482.541 2.979 40 0 JFABRN COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccc(NC(C)=O)cc5)C(=O)[C@H]24)O3)cc(OC)c1 ZINC000043746756 522711129 /nfs/dbraw/zinc/71/11/29/522711129.db2.gz IAGRGOOFTYDHQB-ILSIFQBBSA-N 0 0 463.490 2.587 40 0 JFABRN COC(=O)C(=O)[C@]1(C2=Nc3nnc(NC(=O)Nc4ccc(Cl)cc4)n3C2=O)CCCCCC1=O ZINC000005664363 522746495 /nfs/dbraw/zinc/74/64/95/522746495.db2.gz UFEXCFURTZFYPW-OAQYLSRUSA-N 0 0 486.872 2.564 40 0 JFABRN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1cccc(C(C)=O)c1 ZINC000004388680 523208553 /nfs/dbraw/zinc/20/85/53/523208553.db2.gz GQRPUWSWSKKAOW-UHFFFAOYSA-N 0 0 462.539 2.933 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)(C)C)c3ccc(Cl)cc3)n2)cc1OC ZINC000006074328 523269308 /nfs/dbraw/zinc/26/93/08/523269308.db2.gz ZWYYJKZFDGFGOD-UHFFFAOYSA-N 0 0 486.960 2.959 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccccc3C)n2)cc1OC ZINC000012479174 523270125 /nfs/dbraw/zinc/27/01/25/523270125.db2.gz LUQBCZHJYKUYTE-UHFFFAOYSA-N 0 0 480.569 2.861 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccco1)c1ccccc1F ZINC000013502457 523539400 /nfs/dbraw/zinc/53/94/00/523539400.db2.gz GHDRKJHSCSLJLP-QHCPKHFHSA-N 0 0 465.485 2.696 40 0 JFABRN COc1ccc(C(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CC[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2)cc1 ZINC000012480862 523661886 /nfs/dbraw/zinc/66/18/86/523661886.db2.gz OBWQZBHZTXULDO-XXTHSBEZSA-N 0 0 493.604 2.919 40 0 biogenic,in-vitro JFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NCCOC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013686037 523804188 /nfs/dbraw/zinc/80/41/88/523804188.db2.gz GXMMLDWDCWXKPT-LJQANCHMSA-N 0 0 467.975 2.900 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1 ZINC000012467294 523911051 /nfs/dbraw/zinc/91/10/51/523911051.db2.gz CUJRRFRCNOPFCJ-HXUWFJFHSA-N 0 0 499.568 2.731 40 0 JFABRN COCCNC(=O)[C@@H](c1ccco1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013508519 523911888 /nfs/dbraw/zinc/91/18/88/523911888.db2.gz MMIDPPLKDXMVFQ-HSZRJFAPSA-N 0 0 465.485 2.696 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1 ZINC000012467281 523918189 /nfs/dbraw/zinc/91/81/89/523918189.db2.gz BBABXOGTTMHPNO-FQEVSTJZSA-N 0 0 499.568 2.731 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1 ZINC000013508269 523918504 /nfs/dbraw/zinc/91/85/04/523918504.db2.gz ZVAANNUQMIVRNX-QHCPKHFHSA-N 0 0 462.485 2.503 40 0 JFABRN COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013508513 523919703 /nfs/dbraw/zinc/91/97/03/523919703.db2.gz JLGKSZUGATTXRP-QFIPXVFZSA-N 0 0 451.458 2.701 40 0 JFABRN COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000018823946 523991765 /nfs/dbraw/zinc/99/17/65/523991765.db2.gz KZKBUWWVEGVLOG-UHFFFAOYSA-N 0 0 462.568 2.772 40 0 JFABRN COc1ccc(CN(C)C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC ZINC000020491441 523997952 /nfs/dbraw/zinc/99/79/52/523997952.db2.gz ZJAUTOQEOXBXEV-IBGZPJMESA-N 0 0 454.932 2.543 40 0 JFABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3cccc(OC)c3)nnc1n(C)c2=O ZINC000033256765 524000392 /nfs/dbraw/zinc/00/03/92/524000392.db2.gz HLHOSRMYMLQTFW-AWEZNQCLSA-N 0 0 494.577 2.849 40 0 JFABRN CC[C@H](C)OC(=O)[C@H](C)OC(=O)OCCOCCOC(=O)O[C@@H](C)C(=O)O[C@@H](C)CC ZINC000004353201 524008104 /nfs/dbraw/zinc/00/81/04/524008104.db2.gz ABXWTRBPSFPYRM-VGWMRTNUSA-N 0 0 450.481 2.770 40 0 JFABRN COc1ccc(CNC(=O)[C@H](C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1 ZINC000012472526 524063927 /nfs/dbraw/zinc/06/39/27/524063927.db2.gz BKMKHRYFERGZEE-HNNXBMFYSA-N 0 0 481.578 2.801 40 0 JFABRN Cc1ccc(C)c(Cn2nnc3c2nc([C@H]2CCCN(S(=O)(=O)c4ccccc4)C2)[nH]c3=O)c1 ZINC000006161852 524114664 /nfs/dbraw/zinc/11/46/64/524114664.db2.gz SXZHHLCYIYUHCX-SFHVURJKSA-N 0 0 478.578 2.748 40 0 JFABRN COc1cccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3F)CC2)c1OC ZINC000013504548 524169205 /nfs/dbraw/zinc/16/92/05/524169205.db2.gz WXKGIQNVMBORCM-WZONZLPQSA-N 0 0 482.560 2.920 40 0 JFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NCc2ccccc2)c1C ZINC000012472662 524511784 /nfs/dbraw/zinc/51/17/84/524511784.db2.gz DMAJUWYAWLPWGJ-OAHLLOKOSA-N 0 0 451.552 2.793 40 0 JFABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccco1 ZINC000004356242 524524126 /nfs/dbraw/zinc/52/41/26/524524126.db2.gz JXXGCRJADXYTNC-LJQANCHMSA-N 0 0 485.566 2.976 40 0 JFABRN COc1ccccc1N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000016187696 524545358 /nfs/dbraw/zinc/54/53/58/524545358.db2.gz PQZJYVNJRPYLLE-UHFFFAOYSA-N 0 0 453.564 2.818 40 0 JFABRN COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 ZINC000016248063 524545740 /nfs/dbraw/zinc/54/57/40/524545740.db2.gz QROCHYBGOWPSGE-UHFFFAOYSA-N 0 0 473.595 2.644 40 0 JFABRN Cc1cccc(N2CCN(C(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)CC2)c1C ZINC000020456481 524547153 /nfs/dbraw/zinc/54/71/53/524547153.db2.gz QWDAVWLCCSQBEW-NRFANRHFSA-N 0 0 463.987 2.833 40 0 JFABRN COc1ccc(NC(=S)N(CCCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000006136688 524663983 /nfs/dbraw/zinc/66/39/83/524663983.db2.gz HDUMIELPIWSMCT-UHFFFAOYSA-N 0 0 455.536 2.889 40 0 JFABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000013677444 524729439 /nfs/dbraw/zinc/72/94/39/524729439.db2.gz UAWYOWLYPIZIQY-INIZCTEOSA-N 0 0 479.986 2.914 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc(OC)c(Cl)cc2OC)c1 ZINC000016188058 524873612 /nfs/dbraw/zinc/87/36/12/524873612.db2.gz LLEUVKKBSQPMNL-UHFFFAOYSA-N 0 0 458.920 2.634 40 0 JFABRN C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3[nH]2)C1 ZINC000033535954 524889465 /nfs/dbraw/zinc/88/94/65/524889465.db2.gz MZEMIHPLVJTRQT-KBPBESRZSA-N 0 0 453.572 2.574 40 0 JFABRN Cc1cc(I)ccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000020492593 525010985 /nfs/dbraw/zinc/01/09/85/525010985.db2.gz XUFHQVYYUVORIJ-UHFFFAOYSA-N 0 0 491.326 2.990 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000020483020 525022997 /nfs/dbraw/zinc/02/29/97/525022997.db2.gz OZFCKRRCZDUPPL-UHFFFAOYSA-N 0 0 495.623 2.501 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000020044186 525023650 /nfs/dbraw/zinc/02/36/50/525023650.db2.gz FUMCPMTXTRVQRQ-UHFFFAOYSA-N 0 0 495.623 2.501 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(C[C@@H]2CCCO2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)no1 ZINC000008673019 525121442 /nfs/dbraw/zinc/12/14/42/525121442.db2.gz VZSODILOJVVEDC-GBXCKJPGSA-N 0 0 483.569 2.904 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Br ZINC000020456624 525155159 /nfs/dbraw/zinc/15/51/59/525155159.db2.gz YKNURDGSBJZAIL-UHFFFAOYSA-N 0 0 466.357 2.981 40 0 JFABRN C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3[nH]2)C1 ZINC000033535951 525215094 /nfs/dbraw/zinc/21/50/94/525215094.db2.gz MZEMIHPLVJTRQT-ZIAGYGMSSA-N 0 0 453.572 2.574 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)cc1C ZINC000044883266 525301979 /nfs/dbraw/zinc/30/19/79/525301979.db2.gz KILMKSIIZKLGPM-SFHVURJKSA-N 0 0 494.639 2.561 40 0 JFABRN COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC ZINC000044900514 525311227 /nfs/dbraw/zinc/31/12/27/525311227.db2.gz OBXSYFIEVSKNMX-LSDHHAIUSA-N 0 0 464.540 2.507 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@@H]3CCCO3)Cc3ccccc3)cc2c1 ZINC000008617127 525477631 /nfs/dbraw/zinc/47/76/31/525477631.db2.gz VCGLWHOZWVVEMQ-QFIPXVFZSA-N 0 0 460.538 2.905 40 0 JFABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc4C3)cc2c1 ZINC000036300723 525477667 /nfs/dbraw/zinc/47/76/67/525477667.db2.gz PSVMHCYVEMPIHV-QPPBQGQZSA-N 0 0 472.549 2.850 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](c2cccc(C(F)(F)F)c2)N2CCC(O)CC2)cc1 ZINC000072336291 525491823 /nfs/dbraw/zinc/49/18/23/525491823.db2.gz WNCFHXSSSJYRPP-FQEVSTJZSA-N 0 0 495.527 2.978 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](c2ccccn2)N2CCN(c3ccccc3)CC2)cc1 ZINC000026438992 525493090 /nfs/dbraw/zinc/49/30/90/525493090.db2.gz GGTZZHXLWIJQOL-XMMPIXPASA-N 0 0 489.605 2.720 40 0 JFABRN Cc1c(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000020451689 525860664 /nfs/dbraw/zinc/86/06/64/525860664.db2.gz MIGWHXZBZPYMMT-UHFFFAOYSA-N 0 0 454.552 2.662 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3ccc(F)cc3)n2)cc1 ZINC000012479156 525863171 /nfs/dbraw/zinc/86/31/71/525863171.db2.gz QEFIIJBBSBCTMX-UHFFFAOYSA-N 0 0 452.534 2.979 40 0 JFABRN Cc1csc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)n1 ZINC000012466555 526386207 /nfs/dbraw/zinc/38/62/07/526386207.db2.gz VHZFPOOONOGQSW-UHFFFAOYSA-N 0 0 478.625 2.762 40 0 JFABRN O=C(CN(C(=O)Cn1nnc(-c2cccs2)n1)c1ccc2c(c1)OCCO2)NCc1ccccc1 ZINC000008649057 526691962 /nfs/dbraw/zinc/69/19/62/526691962.db2.gz FMRBNWVSJGMZQY-UHFFFAOYSA-N 0 0 490.545 2.522 40 0 JFABRN O=C(NCc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc5c(c4)OCO5)n3)CO[C@H]12 ZINC000005434048 526735037 /nfs/dbraw/zinc/73/50/37/526735037.db2.gz WHRPEBDUMSQVPA-JBJBFBLISA-N 0 0 476.489 2.745 40 0 biogenic,in-vitro JFABRN NC(=O)C1CC[NH+](CC[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CC[C@H]2CC(=O)[O-])CC1 ZINC000020463150 526857575 /nfs/dbraw/zinc/85/75/75/526857575.db2.gz VZAFOHZQKOIYGY-ROUUACIJSA-N 0 0 469.504 2.846 40 0 biogenic,in-vitro JFABRN NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000044904343 527090708 /nfs/dbraw/zinc/09/07/08/527090708.db2.gz SDPNZVJBYMAWEI-UHFFFAOYSA-N 0 0 453.923 2.759 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N ZINC000012473127 527105761 /nfs/dbraw/zinc/10/57/61/527105761.db2.gz ZJGKIMUZGOTMHH-PXNSSMCTSA-N 0 0 497.552 2.647 40 0 JFABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1N ZINC000006444841 527105857 /nfs/dbraw/zinc/10/58/57/527105857.db2.gz UOEYKZUGAPEOPA-IBGZPJMESA-N 0 0 482.541 2.805 40 0 JFABRN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)C1C=CC2[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000013778008 527117805 /nfs/dbraw/zinc/11/78/05/527117805.db2.gz ZTCYOHJEFFIATK-IBVAPYCVSA-N 0 0 462.452 2.683 40 0 JFABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000033146672 527254199 /nfs/dbraw/zinc/25/41/99/527254199.db2.gz CDYZXOLGBYFKHH-LJQANCHMSA-N 0 0 491.635 2.901 40 0 JFABRN O=C([O-])C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CC[NH+]1CCN(c2ccccn2)CC1 ZINC000020463381 527630325 /nfs/dbraw/zinc/63/03/25/527630325.db2.gz SRPDMIYWLBYDAN-GOTSBHOMSA-N 0 0 450.583 2.776 40 0 biogenic,in-vitro JFABRN COc1ccc(Cl)cc1-n1c(-c2ccccc2)cn2c1nc1c2c(=O)n(CCCO)c(=O)n1C ZINC000096306412 536546026 /nfs/dbraw/zinc/54/60/26/536546026.db2.gz ATMBGUDROCTCDX-UHFFFAOYSA-N 0 0 479.924 2.850 40 0 JFABRN COc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)c1 ZINC000000798840 553783176 /nfs/dbraw/zinc/78/31/76/553783176.db2.gz LLCGXABEBCGWJH-UHFFFAOYSA-N 0 0 499.980 2.875 40 0 JFABRN CC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1 ZINC000000798885 553783346 /nfs/dbraw/zinc/78/33/46/553783346.db2.gz LRXXMQSBHCGNJH-UHFFFAOYSA-N 0 0 495.536 2.555 40 0 JFABRN Cc1ccc(C)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1 ZINC000000798868 553783369 /nfs/dbraw/zinc/78/33/69/553783369.db2.gz XBKMXYNFLMBBDD-UHFFFAOYSA-N 0 0 481.553 2.969 40 0 JFABRN O=C(NCCc1ccccc1)C1CCN(C(=O)[C@H](C(=O)c2ccccc2)n2ccccc2=O)CC1 ZINC000000819446 553785931 /nfs/dbraw/zinc/78/59/31/553785931.db2.gz WTRAYEXLGQPBJV-VWLOTQADSA-N 0 0 471.557 2.870 40 0 JFABRN Cc1cc(C)c2cc(CN(CCN3CCOCC3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 ZINC000000874759 553811605 /nfs/dbraw/zinc/81/16/05/553811605.db2.gz GMBDZGTYJUFEKO-UHFFFAOYSA-N 0 0 454.596 2.947 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000000885950 553824460 /nfs/dbraw/zinc/82/44/60/553824460.db2.gz AFFSYQNBVLOHMA-INIZCTEOSA-N 0 0 498.609 2.895 40 0 JFABRN O=C(CN(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1C(F)(F)F)NC[C@H]1CCCO1 ZINC000000887639 553825833 /nfs/dbraw/zinc/82/58/33/553825833.db2.gz JIYKLGICVQADSJ-CQSZACIVSA-N 0 0 494.499 2.749 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccnc1)C(=S)NC[C@@H]1CCCO1)OCCO3 ZINC000000891126 553828310 /nfs/dbraw/zinc/82/83/10/553828310.db2.gz OMZDBNBPESXUEN-IBGZPJMESA-N 0 0 466.563 2.750 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)Cc3ccccc3)n2)cc1OC ZINC000000903615 553836612 /nfs/dbraw/zinc/83/66/12/553836612.db2.gz WEAIZEDEJQNVDA-UHFFFAOYSA-N 0 0 492.580 2.835 40 0 JFABRN COc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc43)c(=O)[nH]c2cc1OC ZINC000000912422 553842010 /nfs/dbraw/zinc/84/20/10/553842010.db2.gz FZROWPWTZPBPMU-MHECFPHRSA-N 0 0 488.548 2.863 40 0 JFABRN CCOC(=O)c1ccc(S(=O)(=O)N(CCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000000914601 553844282 /nfs/dbraw/zinc/84/42/82/553844282.db2.gz UQUJTSWALDDYQX-UHFFFAOYSA-N 0 0 458.536 2.505 40 0 JFABRN O=C(Nc1ccc(Cn2nnc3ccccc32)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000924272 553859631 /nfs/dbraw/zinc/85/96/31/553859631.db2.gz UYMWFFHCQFEBKC-UHFFFAOYSA-N 0 0 477.546 2.753 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCCC1 ZINC000000926057 553862403 /nfs/dbraw/zinc/86/24/03/553862403.db2.gz JNBZKYVOSBFKFG-UHFFFAOYSA-N 0 0 452.559 2.975 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000000926433 553862771 /nfs/dbraw/zinc/86/27/71/553862771.db2.gz YRIQXEWDSSITIN-UHFFFAOYSA-N 0 0 464.501 2.728 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000926868 553863515 /nfs/dbraw/zinc/86/35/15/553863515.db2.gz CXFYOHBJJIJRSE-UHFFFAOYSA-N 0 0 466.567 2.958 40 0 JFABRN COc1ccc2c(cc(C)c3nnc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)n32)c1 ZINC000000928531 553866147 /nfs/dbraw/zinc/86/61/47/553866147.db2.gz VRBKTQGBHYSIMP-UHFFFAOYSA-N 0 0 465.535 2.869 40 0 JFABRN Cn1c2nc(SCc3nnc(-c4ccccc4)o3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000000930482 553868229 /nfs/dbraw/zinc/86/82/29/553868229.db2.gz UDBKRMRJWDNTRG-UHFFFAOYSA-N 0 0 460.519 2.824 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccccc1 ZINC000002697326 554292852 /nfs/dbraw/zinc/29/28/52/554292852.db2.gz RNSUXRWYOUKWHF-DPWKNNTCSA-N 0 0 485.359 2.876 40 0 JFABRN Cc1nn(CCCNC(=O)c2cc3ncc(Br)cn3n2)c(C)c1Br ZINC000002791923 554347424 /nfs/dbraw/zinc/34/74/24/554347424.db2.gz OTTHIOHIKKOMON-UHFFFAOYSA-N 0 0 456.142 2.888 40 0 JFABRN O=C1NC2=NN3C(=O)C(/C=C\c4ccc(Cl)cc4)=NN[C@@H]3N2NC12c1ccccc1-c1ccccc12 ZINC000005955032 554498813 /nfs/dbraw/zinc/49/88/13/554498813.db2.gz QQWWLDJIZOKBBU-QSRJBLIVSA-N 0 0 495.930 2.570 40 0 JFABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccco2)cc1 ZINC000006075076 554501904 /nfs/dbraw/zinc/50/19/04/554501904.db2.gz XUQOTVQGLUFEED-KRWDZBQOSA-N 0 0 471.539 2.729 40 0 JFABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000006089832 554504152 /nfs/dbraw/zinc/50/41/52/554504152.db2.gz YWTVRSCRIMPBMX-IBGZPJMESA-N 0 0 496.593 2.921 40 0 JFABRN Cc1cc(C)c(S(=O)(=O)N(CCCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c(C)c1 ZINC000006300236 554529150 /nfs/dbraw/zinc/52/91/50/554529150.db2.gz HHIVZUUGQRZIFY-UHFFFAOYSA-N 0 0 472.563 2.798 40 0 JFABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1 ZINC000006442218 554536496 /nfs/dbraw/zinc/53/64/96/554536496.db2.gz MDGMYWAGGVVPBG-FQEVSTJZSA-N 0 0 478.578 2.975 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCCO)S(=O)(=O)c1ccc(Cl)cc1)OCCO3 ZINC000006445588 554539876 /nfs/dbraw/zinc/53/98/76/554539876.db2.gz HZRXITCHYMYJAA-UHFFFAOYSA-N 0 0 464.927 2.526 40 0 JFABRN CCC[C@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 ZINC000006501496 554547858 /nfs/dbraw/zinc/54/78/58/554547858.db2.gz DQHKAZRZVJZIRR-MRXNPFEDSA-N 0 0 461.588 2.811 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)o2)cc1 ZINC000006512034 554548583 /nfs/dbraw/zinc/54/85/83/554548583.db2.gz ABNRMKSHKYYYEM-UHFFFAOYSA-N 0 0 451.530 2.794 40 0 JFABRN NC(=O)c1nsc(C(=O)N(CCc2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000006551115 554551014 /nfs/dbraw/zinc/55/10/14/554551014.db2.gz LPFYFMAKPMJHLZ-FQEVSTJZSA-N 0 0 481.578 2.902 40 0 JFABRN O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1 ZINC000006551959 554551171 /nfs/dbraw/zinc/55/11/71/554551171.db2.gz GCWZLVGFBQGRNI-UHFFFAOYSA-N 0 0 467.975 2.689 40 0 JFABRN CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(C)cc1 ZINC000006600037 554555044 /nfs/dbraw/zinc/55/50/44/554555044.db2.gz ZZWQAURMGLPGPJ-FQEVSTJZSA-N 0 0 489.642 2.905 40 0 JFABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)C(C)C)cc1 ZINC000006600936 554555734 /nfs/dbraw/zinc/55/57/34/554555734.db2.gz IKXNNYKQQIMMFL-IBGZPJMESA-N 0 0 473.599 2.953 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc(-c2ccc(C)o2)n1 ZINC000006631638 554556788 /nfs/dbraw/zinc/55/67/88/554556788.db2.gz HTJWXCJFWYSQEN-IBGZPJMESA-N 0 0 468.558 2.972 40 0 JFABRN COC(=O)c1cccc(NC(=S)N2CCN(C(=S)Nc3cccc(C(=O)OC)c3)CC2)c1 ZINC000008781228 554678183 /nfs/dbraw/zinc/67/81/83/554678183.db2.gz ONPINLOWVIOJCZ-UHFFFAOYSA-N 0 0 472.592 2.971 40 0 JFABRN CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000008877391 554772675 /nfs/dbraw/zinc/77/26/75/554772675.db2.gz JNTQSSGVHLUIBL-LVGPNBEESA-N 0 0 464.643 2.883 40 0 biogenic JFABRN CCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000008903491 554797691 /nfs/dbraw/zinc/79/76/91/554797691.db2.gz PBEKXQUAASXLFB-UHFFFAOYSA-N 0 0 456.568 2.889 40 0 JFABRN COc1ccc(CNC(=O)CN(C(=O)CCC(=O)Nc2ccccn2)c2ccc3c(c2)OCO3)cc1 ZINC000008994772 554854788 /nfs/dbraw/zinc/85/47/88/554854788.db2.gz ATQFSRZEHFRKLJ-UHFFFAOYSA-N 0 0 490.516 2.887 40 0 JFABRN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c1 ZINC000009425917 555190772 /nfs/dbraw/zinc/19/07/72/555190772.db2.gz VPRJRFJUXAFIPY-OOADCZFESA-N 0 0 491.496 2.671 40 0 JFABRN C[C@@H](CSc1nc2ccccc2o1)Cn1c(N2C[C@@H](C)O[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009518771 555314687 /nfs/dbraw/zinc/31/46/87/555314687.db2.gz FXCITHKKIHIOOZ-RBSFLKMASA-N 0 0 484.582 2.607 40 0 JFABRN C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N=c1sccn1Cc1ccccc1Cl)CS2 ZINC000009547088 555343826 /nfs/dbraw/zinc/34/38/26/555343826.db2.gz VOVRVDLIVWZDBU-VSUPSXBPSA-N 0 0 465.984 2.676 40 0 JFABRN CCC[C@@H](C(=O)NC(C)(C)CC)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013150993 555357750 /nfs/dbraw/zinc/35/77/50/555357750.db2.gz SCGMTFSIUKYEIQ-ICSRJNTNSA-N 0 0 485.622 2.585 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495509 555408212 /nfs/dbraw/zinc/40/82/12/555408212.db2.gz JFRDHOVHFIKLKJ-LEWJYISDSA-N 0 0 482.585 2.827 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495731 555408793 /nfs/dbraw/zinc/40/87/93/555408793.db2.gz CTQWPXHCPUJFBP-IBGZPJMESA-N 0 0 494.508 2.553 40 0 JFABRN COCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013496343 555411456 /nfs/dbraw/zinc/41/14/56/555411456.db2.gz TUMQJAFNXGMXCR-OAQYLSRUSA-N 0 0 465.583 2.849 40 0 JFABRN Cc1cccc2cc(CN(CCCO)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c12 ZINC000013500542 555441484 /nfs/dbraw/zinc/44/14/84/555441484.db2.gz HCDYZFDGSMYCGW-RBBKRZOGSA-N 0 0 454.575 2.584 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccco1)c1cccc(OC)c1 ZINC000013502469 555455254 /nfs/dbraw/zinc/45/52/54/555455254.db2.gz TWVACRTWGFFDAF-DEOSSOPVSA-N 0 0 477.521 2.566 40 0 JFABRN CC(C)[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502750 555456877 /nfs/dbraw/zinc/45/68/77/555456877.db2.gz ZPHUVKQSZILZBF-VWLOTQADSA-N 0 0 497.617 2.970 40 0 JFABRN COc1cccc(N(C(=O)CNS(=O)(=O)c2ccccc2)[C@H](C(=O)NCc2ccco2)C(C)C)c1 ZINC000013502869 555457966 /nfs/dbraw/zinc/45/79/66/555457966.db2.gz PJXXKBCYNNAWJF-DEOSSOPVSA-N 0 0 499.589 2.941 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H](C(C)C)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000013502896 555458201 /nfs/dbraw/zinc/45/82/01/555458201.db2.gz YZGAHIDGXFIXCC-SIKLNZKXSA-N 0 0 481.659 2.610 40 0 JFABRN CC(C)[C@@H](C(=O)NC[C@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000013503073 555459050 /nfs/dbraw/zinc/45/90/50/555459050.db2.gz FRLLCMXJIVHAGL-OFNKIYASSA-N 0 0 497.633 2.585 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)CC)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(OC)cc1 ZINC000013503028 555459091 /nfs/dbraw/zinc/45/90/91/555459091.db2.gz HAAUTFLRQAKJAD-HXUWFJFHSA-N 0 0 479.599 2.679 40 0 JFABRN CC(C)[C@@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013503098 555459292 /nfs/dbraw/zinc/45/92/92/555459292.db2.gz DWONFCJWQPMREA-QFIPXVFZSA-N 0 0 479.574 2.809 40 0 JFABRN COc1ccccc1N1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000013504385 555463595 /nfs/dbraw/zinc/46/35/95/555463595.db2.gz WSKDNJLBIMJHDQ-NFBKMPQASA-N 0 0 452.534 2.911 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000013504491 555463854 /nfs/dbraw/zinc/46/38/54/555463854.db2.gz YJPBRNWFTRFFRD-URXFXBBRSA-N 0 0 464.570 2.781 40 0 JFABRN COCCN(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 ZINC000013506544 555472381 /nfs/dbraw/zinc/47/23/81/555472381.db2.gz HTECJLRUOVEJCG-OAQYLSRUSA-N 0 0 458.584 2.538 40 0 JFABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(CCOC)C(=O)CNC(=O)c2ccco2)cc1 ZINC000013507178 555475270 /nfs/dbraw/zinc/47/52/70/555475270.db2.gz ZOEUXIYNDARBLL-HSZRJFAPSA-N 0 0 471.554 2.683 40 0 JFABRN COCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 ZINC000013508012 555477748 /nfs/dbraw/zinc/47/77/48/555477748.db2.gz DNWYJZPYJAOXAO-QHCPKHFHSA-N 0 0 471.554 2.683 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 ZINC000013508000 555477765 /nfs/dbraw/zinc/47/77/65/555477765.db2.gz BWJOUHYETHPIJO-XMMPIXPASA-N 0 0 499.564 2.600 40 0 JFABRN COCCNC(=O)[C@@H](c1cccc(OC)c1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013509007 555480282 /nfs/dbraw/zinc/48/02/82/555480282.db2.gz IOHIKAOQXDNDEE-XMMPIXPASA-N 0 0 477.521 2.566 40 0 JFABRN CCOc1ccccc1[C@H](C(=O)NCCOC)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013509210 555480840 /nfs/dbraw/zinc/48/08/40/555480840.db2.gz SJQQEJPRDYIKHC-RUZDIDTESA-N 0 0 491.548 2.956 40 0 JFABRN COCCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)cc(C)c1 ZINC000013509290 555481079 /nfs/dbraw/zinc/48/10/79/555481079.db2.gz KZXUKHXVUHIADG-VWLOTQADSA-N 0 0 472.549 2.980 40 0 JFABRN COCCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(C)=O)c1 ZINC000013509303 555481113 /nfs/dbraw/zinc/48/11/13/555481113.db2.gz FQBFMVBIYCLAQZ-RUZDIDTESA-N 0 0 486.532 2.566 40 0 JFABRN O=C(C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000013513490 555484251 /nfs/dbraw/zinc/48/42/51/555484251.db2.gz WHBXWEJRCNWUEW-UHFFFAOYSA-N 0 0 494.621 2.544 40 0 JFABRN O=C(CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccccc1N1CCCCCC1 ZINC000013564789 555500049 /nfs/dbraw/zinc/50/00/49/555500049.db2.gz FFCKMDWLYSHWSF-UHFFFAOYSA-N 0 0 450.587 2.747 40 0 JFABRN CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013565572 555502021 /nfs/dbraw/zinc/50/20/21/555502021.db2.gz XVEWDVMIUGLKJO-HXUWFJFHSA-N 0 0 497.539 2.722 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000019856283 555514734 /nfs/dbraw/zinc/51/47/34/555514734.db2.gz YJOYRYZCNRMWID-UHFFFAOYSA-N 0 0 450.557 2.830 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000019867603 555521749 /nfs/dbraw/zinc/52/17/49/555521749.db2.gz YGIVFQPTRWNPFL-UHFFFAOYSA-N 0 0 473.595 2.633 40 0 JFABRN CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)O)C(=O)OCc1ccccc1 ZINC000019892108 555530780 /nfs/dbraw/zinc/53/07/80/555530780.db2.gz ISPBPVLFJJIJBT-QIJUGHKUSA-N 0 0 456.539 2.937 40 0 JFABRN Cc1cc(C)nc(SCc2cc(=O)[nH]c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)n1 ZINC000013611335 555534479 /nfs/dbraw/zinc/53/44/79/555534479.db2.gz IYOWFLSQCPWNFI-UHFFFAOYSA-N 0 0 466.567 2.520 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000013633250 555543232 /nfs/dbraw/zinc/54/32/32/555543232.db2.gz XBJMUTXBVUPMIN-JXMROGBWSA-N 0 0 457.596 2.563 40 0 JFABRN CCOc1ccc(CNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 ZINC000013667783 555556867 /nfs/dbraw/zinc/55/68/67/555556867.db2.gz UWYUFPGTZBKSTQ-UHFFFAOYSA-N 0 0 488.347 2.772 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCN1CCOCC1)C(=S)NCCc1ccccc1)OCO3 ZINC000019940473 555558535 /nfs/dbraw/zinc/55/85/35/555558535.db2.gz ZZOUPCSBWHXTJN-UHFFFAOYSA-N 0 0 494.617 2.508 40 0 JFABRN Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940607 555559110 /nfs/dbraw/zinc/55/91/10/555559110.db2.gz YXEVKCONWVZBMD-OZXSUGGESA-N 0 0 499.619 2.909 40 0 JFABRN CCOCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000019941001 555559515 /nfs/dbraw/zinc/55/95/15/555559515.db2.gz CMOVBNZFAGKLSS-UHFFFAOYSA-N 0 0 474.671 2.970 40 0 JFABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1I ZINC000013669647 555559577 /nfs/dbraw/zinc/55/95/77/555559577.db2.gz GRLQBTTVELQWRE-UHFFFAOYSA-N 0 0 456.305 2.744 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000019941150 555559976 /nfs/dbraw/zinc/55/99/76/555559976.db2.gz YJWNMCAMQTTZML-HEJPQYQCSA-N 0 0 461.559 2.849 40 0 JFABRN Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1 ZINC000019941190 555560052 /nfs/dbraw/zinc/56/00/52/555560052.db2.gz BWPWMKVYYCDNRD-MGBGTMOVSA-N 0 0 473.570 2.913 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)c(C)c3[nH]c2=O)N2CCN(C)CC2)cc1 ZINC000019941505 555560503 /nfs/dbraw/zinc/56/05/03/555560503.db2.gz OXHYMFFEQJDPHH-DEOSSOPVSA-N 0 0 473.581 2.525 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(c4ccc(F)cc4)CC3)cc2c1 ZINC000019972948 555574989 /nfs/dbraw/zinc/57/49/89/555574989.db2.gz XDLKIOLISZKPSQ-XMMPIXPASA-N 0 0 491.571 2.774 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000019973221 555575623 /nfs/dbraw/zinc/57/56/23/555575623.db2.gz MBGFMYGAQZPUAQ-XMMPIXPASA-N 0 0 491.571 2.829 40 0 JFABRN COc1ccc(NC(SCC(=O)N2CCCC[C@H]2C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973850 555575671 /nfs/dbraw/zinc/57/56/71/555575671.db2.gz XBJINJLTPUQOON-CQSZACIVSA-N 0 0 460.556 2.503 40 0 JFABRN CCOc1ccc(NC(SCC(=O)N2CCCCCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974012 555576835 /nfs/dbraw/zinc/57/68/35/555576835.db2.gz GTJICKLLXVUNQC-UHFFFAOYSA-N 0 0 474.583 2.895 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000013685142 555578856 /nfs/dbraw/zinc/57/88/56/555578856.db2.gz BHZINBJGFXRUGS-UHFFFAOYSA-N 0 0 452.536 2.579 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)cc1C ZINC000009974586 555579654 /nfs/dbraw/zinc/57/96/54/555579654.db2.gz ZRZZQWKFASTDKA-FQEVSTJZSA-N 0 0 487.622 2.762 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000020009476 555584867 /nfs/dbraw/zinc/58/48/67/555584867.db2.gz QRODNXQGARSZON-MSOLQXFVSA-N 0 0 452.960 2.533 40 0 JFABRN CCOCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009853 555585488 /nfs/dbraw/zinc/58/54/88/555585488.db2.gz JIWBAPURXNGVIJ-GOSISDBHSA-N 0 0 454.976 2.781 40 0 JFABRN CC[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713500 555590973 /nfs/dbraw/zinc/59/09/73/555590973.db2.gz BWFVYYJUTGQEAG-OAQYLSRUSA-N 0 0 473.595 2.613 40 0 JFABRN CCN(CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(F)ccc1OC ZINC000020015994 555591953 /nfs/dbraw/zinc/59/19/53/555591953.db2.gz XNXSKDVUJNWBIO-AWEZNQCLSA-N 0 0 454.520 2.740 40 0 JFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1OC ZINC000020017663 555593234 /nfs/dbraw/zinc/59/32/34/555593234.db2.gz NJUKRBSEGIOVQO-UHFFFAOYSA-N 0 0 466.531 2.569 40 0 JFABRN CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715750 555593299 /nfs/dbraw/zinc/59/32/99/555593299.db2.gz FHUMOBZOIDVXMW-GOSISDBHSA-N 0 0 466.487 2.582 40 0 JFABRN CC[C@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716532 555593879 /nfs/dbraw/zinc/59/38/79/555593879.db2.gz FNALMEFKFPIHAG-HXUWFJFHSA-N 0 0 467.613 2.883 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000020021198 555598494 /nfs/dbraw/zinc/59/84/94/555598494.db2.gz YAPNGBWTFBOXIC-INIZCTEOSA-N 0 0 450.557 2.991 40 0 JFABRN CCCCn1c2nnc(SCCN3C(=O)c4ccccc4S3(=O)=O)n2c2ccccc2c1=O ZINC000010052142 555607469 /nfs/dbraw/zinc/60/74/69/555607469.db2.gz CEBJCUMISZINNR-UHFFFAOYSA-N 0 0 483.575 2.781 40 0 JFABRN CCC(=O)Nc1cc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC ZINC000020033328 555608479 /nfs/dbraw/zinc/60/84/79/555608479.db2.gz UQFJLRINKCGYDI-UHFFFAOYSA-N 0 0 495.623 2.697 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1cccc(Br)c1 ZINC000020040275 555613396 /nfs/dbraw/zinc/61/33/96/555613396.db2.gz VYZHYUGWIICTLA-UHFFFAOYSA-N 0 0 463.357 2.717 40 0 JFABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000020047134 555617633 /nfs/dbraw/zinc/61/76/33/555617633.db2.gz PXBXMRXCDWJPAN-SFHVURJKSA-N 0 0 494.639 2.561 40 0 JFABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000020047131 555617683 /nfs/dbraw/zinc/61/76/83/555617683.db2.gz PXBXMRXCDWJPAN-GOSISDBHSA-N 0 0 494.639 2.561 40 0 JFABRN C[C@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000010119313 555630124 /nfs/dbraw/zinc/63/01/24/555630124.db2.gz XBCIMBODQAREIZ-AWEZNQCLSA-N 0 0 456.973 2.501 40 0 JFABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1CCOC)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020084089 555631657 /nfs/dbraw/zinc/63/16/57/555631657.db2.gz QHWNBEQCEMDCDV-HSZRJFAPSA-N 0 0 478.553 2.790 40 0 JFABRN O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000020097934 555632859 /nfs/dbraw/zinc/63/28/59/555632859.db2.gz FDNJPAWOPNOPTP-UHFFFAOYSA-N 0 0 477.652 2.804 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000020105163 555638397 /nfs/dbraw/zinc/63/83/97/555638397.db2.gz SCPZMBCPWFSZNE-OAHLLOKOSA-N 0 0 450.536 2.606 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000020107042 555640555 /nfs/dbraw/zinc/64/05/55/555640555.db2.gz DOMDTBHKVDNODW-FUHWJXTLSA-N 0 0 462.568 2.991 40 0 JFABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000020109008 555644393 /nfs/dbraw/zinc/64/43/93/555644393.db2.gz QYCSTHDKTOCJTO-HSZRJFAPSA-N 0 0 479.558 2.825 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2cc(OC)ccc2OC)C1C(=O)c1ccc(Cl)cc1 ZINC000010231956 555655540 /nfs/dbraw/zinc/65/55/40/555655540.db2.gz VBPNUVHZBJSOME-SFHVURJKSA-N 0 0 455.858 2.669 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2cccc(Br)c2)C1C(=O)c1ccc(OC)cc1 ZINC000010231915 555655557 /nfs/dbraw/zinc/65/55/57/555655557.db2.gz VZGQXQQSDHQKJD-QGZVFWFLSA-N 0 0 470.283 2.769 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2cccc(OC)c2)C1C(=O)c1ccc(Br)cc1 ZINC000010231983 555655816 /nfs/dbraw/zinc/65/58/16/555655816.db2.gz LGXKMJJEFVJNHR-QGZVFWFLSA-N 0 0 470.283 2.769 40 0 JFABRN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(C(=O)OC)=Nc3nnnn32)cc1 ZINC000010232015 555655874 /nfs/dbraw/zinc/65/58/74/555655874.db2.gz ZVZYNLCYCKGDNI-QGZVFWFLSA-N 0 0 498.293 2.547 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)c1ccc(Br)cc1 ZINC000010231993 555655889 /nfs/dbraw/zinc/65/58/89/555655889.db2.gz JJNDDXUMRUURIT-INIZCTEOSA-N 0 0 485.254 2.669 40 0 JFABRN COc1cccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)c1OC ZINC000020141089 555663217 /nfs/dbraw/zinc/66/32/17/555663217.db2.gz BLVCIVJGBWSMLM-HSZRJFAPSA-N 0 0 488.548 2.879 40 0 JFABRN COc1cccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)c1OC ZINC000020141092 555663341 /nfs/dbraw/zinc/66/33/41/555663341.db2.gz BLVCIVJGBWSMLM-QHCPKHFHSA-N 0 0 488.548 2.879 40 0 JFABRN CCS(=O)(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)CC1 ZINC000020143534 555664076 /nfs/dbraw/zinc/66/40/76/555664076.db2.gz OEQPJLPXTRKYGJ-AWEZNQCLSA-N 0 0 452.646 2.603 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000020150633 555666671 /nfs/dbraw/zinc/66/66/71/555666671.db2.gz OZRQGFYSBQVKDI-UWHHFBIGSA-N 0 0 484.574 2.819 40 0 JFABRN COC(=O)[C@@]1(CCSC)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000020150774 555667412 /nfs/dbraw/zinc/66/74/12/555667412.db2.gz QGKJXAMFYPSPLC-SRCYTUNASA-N 0 0 496.585 2.881 40 0 JFABRN COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000020150815 555667454 /nfs/dbraw/zinc/66/74/54/555667454.db2.gz QGEGYURRMPKSKK-IZZGNVEXSA-N 0 0 482.558 2.710 40 0 JFABRN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1 ZINC000010302841 555678326 /nfs/dbraw/zinc/67/83/26/555678326.db2.gz HTQONCXVHQKQNR-UHFFFAOYSA-N 0 0 450.532 2.603 40 0 JFABRN COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)CC1 ZINC000010323832 555683182 /nfs/dbraw/zinc/68/31/82/555683182.db2.gz PUHCSQCFLGQLLB-UHFFFAOYSA-N 0 0 491.585 2.592 40 0 JFABRN C[C@@H]1Cc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010325938 555684549 /nfs/dbraw/zinc/68/45/49/555684549.db2.gz YHOVIIMBFROCGS-OAHLLOKOSA-N 0 0 471.560 2.726 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000010330623 555687472 /nfs/dbraw/zinc/68/74/72/555687472.db2.gz XTMNRUYNCCOKAY-OAHLLOKOSA-N 0 0 498.001 2.908 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010333019 555688921 /nfs/dbraw/zinc/68/89/21/555688921.db2.gz QFWKEGMDOWOTHV-HNNXBMFYSA-N 0 0 464.540 2.900 40 0 JFABRN Cc1ccc(NC(=S)N2CCNC(=O)[C@@H]2CC(=O)N2CCN(c3ccccc3)CC2)cc1C ZINC000010339347 555693813 /nfs/dbraw/zinc/69/38/13/555693813.db2.gz RLGHCWPRYJOSPG-QFIPXVFZSA-N 0 0 465.623 2.540 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000010434458 555709435 /nfs/dbraw/zinc/70/94/35/555709435.db2.gz SLKKZYWSMGLLDL-UHFFFAOYSA-N 0 0 476.551 2.962 40 0 JFABRN O=C(C[C@H]1C(=O)NCCN1C(=O)C(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000014164512 555717691 /nfs/dbraw/zinc/71/76/91/555717691.db2.gz CXRPXBLQKIGIOE-SANMLTNESA-N 0 0 496.611 2.884 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000010541883 555724914 /nfs/dbraw/zinc/72/49/14/555724914.db2.gz JYZXNTPSYYKDHL-UHFFFAOYSA-N 0 0 450.944 2.947 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000020235841 555728882 /nfs/dbraw/zinc/72/88/82/555728882.db2.gz RMCKFUBPSJRHBE-UHFFFAOYSA-N 0 0 455.536 2.919 40 0 JFABRN CCOc1ccc(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1OC ZINC000020244401 555740690 /nfs/dbraw/zinc/74/06/90/555740690.db2.gz KKLMIUHZPBINEL-UHFFFAOYSA-N 0 0 467.563 2.595 40 0 JFABRN COC(=O)c1c2c(sc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)CCCC2 ZINC000020245772 555741543 /nfs/dbraw/zinc/74/15/43/555741543.db2.gz BJBNOANNDHKCRH-UHFFFAOYSA-N 0 0 451.570 2.908 40 0 JFABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000010966731 555749838 /nfs/dbraw/zinc/74/98/38/555749838.db2.gz PYNIFPDEQOZGAL-OAHLLOKOSA-N 0 0 468.572 2.507 40 0 JFABRN C[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010966562 555749853 /nfs/dbraw/zinc/74/98/53/555749853.db2.gz ALUGEDBYAWQCGL-GFCCVEGCSA-N 0 0 459.305 2.951 40 0 JFABRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000014400818 555806255 /nfs/dbraw/zinc/80/62/55/555806255.db2.gz UMGGUHRXKKRTNR-UHFFFAOYSA-N 0 0 461.540 2.740 40 0 JFABRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000014400897 555806459 /nfs/dbraw/zinc/80/64/59/555806459.db2.gz BGYWALWAYPYVNV-UHFFFAOYSA-N 0 0 475.567 2.735 40 0 JFABRN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC000022053203 555866636 /nfs/dbraw/zinc/86/66/36/555866636.db2.gz OERLMOWQSLSEPI-QGZVFWFLSA-N 0 0 464.551 2.589 40 0 JFABRN CCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1C ZINC000022227863 555886805 /nfs/dbraw/zinc/88/68/05/555886805.db2.gz QGGVEPGJVBEFDQ-UHFFFAOYSA-N 0 0 454.614 2.945 40 0 JFABRN CCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1Cl ZINC000022227966 555886999 /nfs/dbraw/zinc/88/69/99/555886999.db2.gz VCDGNSHFIJAMIN-UHFFFAOYSA-N 0 0 461.005 2.946 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000022228945 555887913 /nfs/dbraw/zinc/88/79/13/555887913.db2.gz ZKSKCUZOLPQOOW-UHFFFAOYSA-N 0 0 482.400 2.777 40 0 JFABRN COc1ccccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000022229114 555888123 /nfs/dbraw/zinc/88/81/23/555888123.db2.gz SHONCAWXWBFHEN-UHFFFAOYSA-N 0 0 459.568 2.604 40 0 JFABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1cccc2ccccc21 ZINC000022229348 555888330 /nfs/dbraw/zinc/88/83/30/555888330.db2.gz KUGXMIRSBGDJNQ-UHFFFAOYSA-N 0 0 451.548 2.922 40 0 JFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000022229676 555888655 /nfs/dbraw/zinc/88/86/55/555888655.db2.gz DELHHPCOAOKKEE-LJQANCHMSA-N 0 0 462.568 2.533 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C ZINC000022230248 555889163 /nfs/dbraw/zinc/88/91/63/555889163.db2.gz XFKMTXKWFZTJNX-SFHVURJKSA-N 0 0 492.550 2.599 40 0 JFABRN CN(c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)S(C)(=O)=O ZINC000022230539 555889208 /nfs/dbraw/zinc/88/92/08/555889208.db2.gz BFVQCJSZUXARRA-UHFFFAOYSA-N 0 0 460.293 2.705 40 0 JFABRN COC(=O)[C@@H](C)[C@@H]1c2cc(Br)cc(Br)c2OC(=O)[C@@H]1C(=O)OC ZINC000015276713 555892209 /nfs/dbraw/zinc/89/22/09/555892209.db2.gz WTTLFVLYQYOQPQ-FZYJTZEISA-N 0 0 450.079 2.813 40 0 JFABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)NCCCn2ccnc2)cc1 ZINC000022233784 555894244 /nfs/dbraw/zinc/89/42/44/555894244.db2.gz BQSYTQBDWNTIIK-UHFFFAOYSA-N 0 0 460.531 2.574 40 0 JFABRN O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(Nc3ccc(Cl)cc3)nc(N3CCOCC3)n2)C1 ZINC000015320567 555897928 /nfs/dbraw/zinc/89/79/28/555897928.db2.gz XFOFGEBWWSZCKF-SJORKVTESA-N 0 0 479.972 2.891 40 0 JFABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000022248921 555899226 /nfs/dbraw/zinc/89/92/26/555899226.db2.gz SVVAVTAFVVDFSZ-UHFFFAOYSA-N 0 0 454.932 2.794 40 0 JFABRN COCCCNC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1F)S(C)(=O)=O ZINC000022254321 555902575 /nfs/dbraw/zinc/90/25/75/555902575.db2.gz BGLPECOZBIHPGS-UHFFFAOYSA-N 0 0 454.520 2.575 40 0 JFABRN COc1cc(C(=O)NC[C@@H]2CCCO2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254362 555902605 /nfs/dbraw/zinc/90/26/05/555902605.db2.gz WIKULUDKIIAZHZ-INIZCTEOSA-N 0 0 466.531 2.718 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOC)cc1Cl ZINC000022269358 555908139 /nfs/dbraw/zinc/90/81/39/555908139.db2.gz DVSZKVWSEOQHTP-IBGZPJMESA-N 0 0 454.976 2.781 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 ZINC000015631591 555920459 /nfs/dbraw/zinc/92/04/59/555920459.db2.gz ZCXYSHUVTVJLDL-UHFFFAOYSA-N 0 0 476.551 2.925 40 0 JFABRN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000015638383 555921422 /nfs/dbraw/zinc/92/14/22/555921422.db2.gz GMERPIXLZUOAFX-SFHVURJKSA-N 0 0 457.552 2.632 40 0 JFABRN C[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022334770 555922885 /nfs/dbraw/zinc/92/28/85/555922885.db2.gz XCIDCUWQEJWWHU-CYBMUJFWSA-N 0 0 478.514 2.752 40 0 JFABRN Cc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000022337175 555922917 /nfs/dbraw/zinc/92/29/17/555922917.db2.gz IQSZVISMJHZLEP-CQSZACIVSA-N 0 0 458.989 2.695 40 0 JFABRN Cc1c(Cl)cccc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000022337520 555922919 /nfs/dbraw/zinc/92/29/19/555922919.db2.gz LWJJZWYFQUNHFL-CQSZACIVSA-N 0 0 458.989 2.695 40 0 JFABRN CC(C)Oc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000022427720 555930545 /nfs/dbraw/zinc/93/05/45/555930545.db2.gz DZCXJQJXHBKYLP-MRXNPFEDSA-N 0 0 468.597 2.521 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c(Cl)c1 ZINC000022523104 555930907 /nfs/dbraw/zinc/93/09/07/555930907.db2.gz MRTRSDDVUGZQGF-UHFFFAOYSA-N 0 0 454.888 2.650 40 0 JFABRN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(O)cc4)c(=O)n32)c1 ZINC000022753513 555953471 /nfs/dbraw/zinc/95/34/71/555953471.db2.gz QTMSZTDZRLMLRR-YOKWNPFVSA-N 0 0 494.569 2.910 40 0 JFABRN CC(=O)OC[C@H]1O[C@@H](Sc2ccc(Cl)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000012364536 555959498 /nfs/dbraw/zinc/95/94/98/555959498.db2.gz FDRTYADXAMZRMR-DEPCRRQNSA-N 0 0 474.915 2.515 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000022928993 555980762 /nfs/dbraw/zinc/98/07/62/555980762.db2.gz XUWLABZHTDDFAM-RCZVLFRGSA-N 0 0 478.597 2.777 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000022928989 555980857 /nfs/dbraw/zinc/98/08/57/555980857.db2.gz XUWLABZHTDDFAM-DHLKQENFSA-N 0 0 478.597 2.777 40 0 JFABRN COc1ccc(OC)c([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)c1 ZINC000022929071 555981222 /nfs/dbraw/zinc/98/12/22/555981222.db2.gz QWYXOPHCPNTHRT-RDGATRHJSA-N 0 0 478.597 2.777 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000015735684 555982753 /nfs/dbraw/zinc/98/27/53/555982753.db2.gz RYVRFFPGBMXLBF-UHFFFAOYSA-N 0 0 493.651 2.991 40 0 JFABRN COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(NC(C)=O)cc5)C(=O)[C@@H]24)O3)cc(OC)c1 ZINC000015894239 556061367 /nfs/dbraw/zinc/06/13/67/556061367.db2.gz IAGRGOOFTYDHQB-FUCAVZNHSA-N 0 0 463.490 2.587 40 0 biogenic JFABRN O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1F)c1ccccc1Cl ZINC000023511021 556076463 /nfs/dbraw/zinc/07/64/63/556076463.db2.gz PLCBDNAEEQOAJF-UHFFFAOYSA-N 0 0 455.939 2.732 40 0 JFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000015950091 556086516 /nfs/dbraw/zinc/08/65/16/556086516.db2.gz HMIQNMOJHYHGSD-UHFFFAOYSA-N 0 0 463.987 2.632 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H]1N(C2CCCC2)C(=O)[C@@H]2[C@@H](C(=O)NCc3cccs3)[C@H]3C=C[C@@]12O3 ZINC000012645280 556097489 /nfs/dbraw/zinc/09/74/89/556097489.db2.gz OFTGLLBKGULVDB-PDGNJTGUSA-N 0 0 471.623 2.762 40 0 JFABRN CCOc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000024488381 556132103 /nfs/dbraw/zinc/13/21/03/556132103.db2.gz HGXBLFGXFPQXPT-INIZCTEOSA-N 0 0 452.463 2.656 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000016283011 556132458 /nfs/dbraw/zinc/13/24/58/556132458.db2.gz WGQMDDQIRIEZNB-UHFFFAOYSA-N 0 0 485.528 2.992 40 0 JFABRN NC(=O)c1c(NC(=S)NC(=O)COc2ccc(Br)cc2)sc2c1CCC2 ZINC000016428767 556138853 /nfs/dbraw/zinc/13/88/53/556138853.db2.gz KOFBUZOSMABAKT-UHFFFAOYSA-N 0 0 454.371 2.990 40 0 JFABRN O=S(=O)(c1ccccc1)[C@@H]1[C@H]2C=C[C@](CO[C@@H]3CCCCO3)(O2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000016490986 556140879 /nfs/dbraw/zinc/14/08/79/556140879.db2.gz OFBFJNHQORNRNK-MRKXFKPJSA-N 0 0 490.599 2.922 40 0 JFABRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc2)C1 ZINC000012941728 556154946 /nfs/dbraw/zinc/15/49/46/556154946.db2.gz ARHOLYNFPHZWPK-RPPIVITFSA-N 0 0 498.605 2.759 40 0 JFABRN CN(C)S(=O)(=O)c1cccc(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 ZINC000017043930 556210398 /nfs/dbraw/zinc/21/03/98/556210398.db2.gz SXNGLICVBHJITA-UHFFFAOYSA-N 0 0 461.853 2.582 40 0 JFABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013024105 556213891 /nfs/dbraw/zinc/21/38/91/556213891.db2.gz KFBJRZHGHSNXGV-XMMPIXPASA-N 0 0 497.596 2.970 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccc(OC)c(OC)c1 ZINC000013030536 556225949 /nfs/dbraw/zinc/22/59/49/556225949.db2.gz CKFJJWOBEJLNLF-VWLOTQADSA-N 0 0 497.596 2.827 40 0 JFABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013032230 556230871 /nfs/dbraw/zinc/23/08/71/556230871.db2.gz MJYKLQWRWLIWOK-QFIPXVFZSA-N 0 0 453.543 2.658 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000026109470 556241875 /nfs/dbraw/zinc/24/18/75/556241875.db2.gz IGYYHHNZINRFIP-OAHLLOKOSA-N 0 0 492.425 2.836 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C(=O)N3CCCC3)C2)cc1 ZINC000026111199 556242868 /nfs/dbraw/zinc/24/28/68/556242868.db2.gz PMDUVOHMQNYGEX-GOSISDBHSA-N 0 0 471.579 2.971 40 0 JFABRN CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)S(C)(=O)=O ZINC000026111478 556243171 /nfs/dbraw/zinc/24/31/71/556243171.db2.gz QSUDLZUNAFLHIB-UHFFFAOYSA-N 0 0 451.570 2.509 40 0 JFABRN CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1OC ZINC000026112154 556243528 /nfs/dbraw/zinc/24/35/28/556243528.db2.gz QSQKUPVHFRQGBD-UHFFFAOYSA-N 0 0 471.501 2.975 40 0 JFABRN CCS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)Oc2ccccc21 ZINC000026112912 556244147 /nfs/dbraw/zinc/24/41/47/556244147.db2.gz LNPCVBIEYYDMQG-FQEVSTJZSA-N 0 0 483.512 2.971 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)CC1 ZINC000026113562 556244543 /nfs/dbraw/zinc/24/45/43/556244543.db2.gz TXFDFRFARATZKL-HXUWFJFHSA-N 0 0 493.969 2.597 40 0 JFABRN COC(=O)c1cccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c1C ZINC000026117638 556247267 /nfs/dbraw/zinc/24/72/67/556247267.db2.gz BSUIYRILHUDADO-UHFFFAOYSA-N 0 0 464.565 2.777 40 0 JFABRN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N=c1sccn1Cc1ccccc1F ZINC000026385603 556252792 /nfs/dbraw/zinc/25/27/92/556252792.db2.gz CHRJMSPUHAYQGK-IDSLFWRKSA-N 0 0 450.495 2.558 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000026411388 556253442 /nfs/dbraw/zinc/25/34/42/556253442.db2.gz JWCLUASZXARHPB-KRWDZBQOSA-N 0 0 465.959 2.654 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000026411391 556253510 /nfs/dbraw/zinc/25/35/10/556253510.db2.gz JWCLUASZXARHPB-QGZVFWFLSA-N 0 0 465.959 2.654 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064440 556261925 /nfs/dbraw/zinc/26/19/25/556261925.db2.gz AZJHSFUKERYONS-HXUWFJFHSA-N 0 0 496.568 2.745 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC000017805789 556266861 /nfs/dbraw/zinc/26/68/61/556266861.db2.gz RSHKOLJGPHLKRZ-UHFFFAOYSA-N 0 0 471.623 2.544 40 0 JFABRN CCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1 ZINC000027408338 556278075 /nfs/dbraw/zinc/27/80/75/556278075.db2.gz PLVWMBFPIAQRHK-FCHUYYIVSA-N 0 0 482.581 2.893 40 0 in-vitro JFABRN COc1ccccc1NC(=O)N1CCC(NC(=O)[C@@H](Cc2ccccc2C)NC(C)=O)CC1 ZINC000013084905 556282531 /nfs/dbraw/zinc/28/25/31/556282531.db2.gz XWXZFEDKNIDGSX-JOCHJYFZSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccccc1NC(=O)N1CCC(NC(=O)[C@H](Cc2cccc(C)c2)NC(C)=O)CC1 ZINC000013085000 556282810 /nfs/dbraw/zinc/28/28/10/556282810.db2.gz YNKXTIZOZJXLOK-QFIPXVFZSA-N 0 0 452.555 2.864 40 0 JFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3OC)CC2)c1 ZINC000013085146 556283234 /nfs/dbraw/zinc/28/32/34/556283234.db2.gz ITSYLSDKSHRWAB-QFIPXVFZSA-N 0 0 468.554 2.564 40 0 JFABRN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1 ZINC000013085121 556283243 /nfs/dbraw/zinc/28/32/43/556283243.db2.gz BKAYJRJNBXDQGP-HSZRJFAPSA-N 0 0 452.555 2.864 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000013085169 556283245 /nfs/dbraw/zinc/28/32/45/556283245.db2.gz PMPVIRFCXQINEW-QHCPKHFHSA-N 0 0 452.555 2.864 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@H](Cc3ccccc3OC)NC(C)=O)CC2)c1 ZINC000013085274 556283481 /nfs/dbraw/zinc/28/34/81/556283481.db2.gz XOVLZCMGOVFHGI-QFIPXVFZSA-N 0 0 468.554 2.564 40 0 JFABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000013085309 556283845 /nfs/dbraw/zinc/28/38/45/556283845.db2.gz WCNQXQOPFGEJHB-NRFANRHFSA-N 0 0 457.958 2.817 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1OC ZINC000013085422 556284061 /nfs/dbraw/zinc/28/40/61/556284061.db2.gz OTELBPSLTDEVQX-QFIPXVFZSA-N 0 0 482.581 2.872 40 0 JFABRN COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc(OC)c1 ZINC000013085502 556284395 /nfs/dbraw/zinc/28/43/95/556284395.db2.gz GZKNZAMDSOYCFT-DEOSSOPVSA-N 0 0 482.581 2.872 40 0 JFABRN COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc(OC)c1 ZINC000013085510 556284418 /nfs/dbraw/zinc/28/44/18/556284418.db2.gz XMXSBMFTPLJOQB-QHCPKHFHSA-N 0 0 486.544 2.703 40 0 JFABRN CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013086056 556285572 /nfs/dbraw/zinc/28/55/72/556285572.db2.gz HXKKBIUMVWVDPA-NRFANRHFSA-N 0 0 453.520 2.726 40 0 JFABRN O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N=c1sccn1Cc1ccccc1Cl ZINC000013095310 556286992 /nfs/dbraw/zinc/28/69/92/556286992.db2.gz GLTOSTQYDYFLMI-BGXTXGJFSA-N 0 0 489.981 2.787 40 0 JFABRN CCCNC(=O)CN(C)Cn1nc2n(c1=S)c1ccccc1c(=O)n2-c1ccc(C)cc1 ZINC000013097607 556294494 /nfs/dbraw/zinc/29/44/94/556294494.db2.gz OVNNZFDFGAABQQ-UHFFFAOYSA-N 0 0 450.568 2.893 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000018217323 556311892 /nfs/dbraw/zinc/31/18/92/556311892.db2.gz FOVYURCKFCWVSF-UHFFFAOYSA-N 0 0 457.596 2.542 40 0 JFABRN CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccccc2)CC1 ZINC000019084839 556330179 /nfs/dbraw/zinc/33/01/79/556330179.db2.gz VTJBYRCEKDTJCP-QHCPKHFHSA-N 0 0 487.564 2.910 40 0 JFABRN Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c12 ZINC000019236448 556337082 /nfs/dbraw/zinc/33/70/82/556337082.db2.gz UOMQZLMCOTXXLW-DHLKQENFSA-N 0 0 485.592 2.914 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cccnc2)N2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000019556155 556353645 /nfs/dbraw/zinc/35/36/45/556353645.db2.gz MSXLTLOPFIFHLJ-DEOSSOPVSA-N 0 0 457.538 2.742 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000019563487 556354449 /nfs/dbraw/zinc/35/44/49/556354449.db2.gz WTTQSPAZSJEXCU-HSZRJFAPSA-N 0 0 474.565 2.947 40 0 JFABRN COc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c2c1 ZINC000019563906 556354544 /nfs/dbraw/zinc/35/45/44/556354544.db2.gz ISLCRROONXJVSC-HSZRJFAPSA-N 0 0 474.565 2.947 40 0 JFABRN COc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3C[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000019563903 556354591 /nfs/dbraw/zinc/35/45/91/556354591.db2.gz ISLCRROONXJVSC-QHCPKHFHSA-N 0 0 474.565 2.947 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000019568177 556354924 /nfs/dbraw/zinc/35/49/24/556354924.db2.gz BTFWWCSIUIRSSR-XMMPIXPASA-N 0 0 491.571 2.829 40 0 JFABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1 ZINC000030855973 556379846 /nfs/dbraw/zinc/37/98/46/556379846.db2.gz VCUNENDFESWDBR-UHFFFAOYSA-N 0 0 457.961 2.748 40 0 JFABRN CN(c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1)S(C)(=O)=O ZINC000030860940 556381441 /nfs/dbraw/zinc/38/14/41/556381441.db2.gz CNAGZSSIHYDAQP-FQEVSTJZSA-N 0 0 493.651 2.696 40 0 JFABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCOCC3)c(Cl)c2)cc1 ZINC000030864559 556382924 /nfs/dbraw/zinc/38/29/24/556382924.db2.gz AIDZTXKTACGEQC-UHFFFAOYSA-N 0 0 451.976 2.901 40 0 JFABRN O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 ZINC000019818983 556386942 /nfs/dbraw/zinc/38/69/42/556386942.db2.gz WJBLTQQGYKAVCP-ZDUSSCGKSA-N 0 0 451.405 2.723 40 0 JFABRN Cc1ccc2cc(CN(CCCN3CCOCC3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1C ZINC000019823504 556393801 /nfs/dbraw/zinc/39/38/01/556393801.db2.gz AIXSJNQFLOJKQJ-JOCHJYFZSA-N 0 0 472.655 2.723 40 0 JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCC(C)C)cc2c1 ZINC000019824522 556395683 /nfs/dbraw/zinc/39/56/83/556395683.db2.gz WYIQUDHQJPULEJ-UHFFFAOYSA-N 0 0 460.644 2.982 40 0 JFABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)cc2c1 ZINC000019826215 556396691 /nfs/dbraw/zinc/39/66/91/556396691.db2.gz BFZUGBLLPBMQDX-JYFHCDHNSA-N 0 0 499.619 2.909 40 0 JFABRN NC(=O)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000032045838 556412778 /nfs/dbraw/zinc/41/27/78/556412778.db2.gz FLSLSABKJGIXIX-UHFFFAOYSA-N 0 0 451.548 2.907 40 0 JFABRN CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2)CC1 ZINC000032125123 556428859 /nfs/dbraw/zinc/42/88/59/556428859.db2.gz FGGPAYHUUOSGMR-UHFFFAOYSA-N 0 0 497.440 2.658 40 0 JFABRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000032127959 556432764 /nfs/dbraw/zinc/43/27/64/556432764.db2.gz SYKLFQJSYNOOSP-UHFFFAOYSA-N 0 0 454.552 2.991 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000032814311 556501842 /nfs/dbraw/zinc/50/18/42/556501842.db2.gz HPEYNHUPRSFZAE-UHFFFAOYSA-N 0 0 457.552 2.861 40 0 JFABRN Cc1ccc(S(=O)(=O)NC[C@H]2O[C@H](Cc3cc(-c4cccc(O)c4)on3)CC[C@@H]2O)cc1 ZINC000077263198 560046532 /nfs/dbraw/zinc/04/65/32/560046532.db2.gz KNJZMVKKJZOMEV-IEIRFRATSA-N 0 0 458.536 2.785 40 0 biogenic,in-vitro JFABRN CS(=O)(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000067896829 560050288 /nfs/dbraw/zinc/05/02/88/560050288.db2.gz ZIFIHJJSPMLQSL-IEBWSBKVSA-N 0 0 458.458 2.538 40 0 biogenic,in-vitro JFABRN CCCCS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(OC)cc3)[C@@H]2CO)cc1 ZINC000072321324 560076657 /nfs/dbraw/zinc/07/66/57/560076657.db2.gz PKFPOIDEPXPECZ-FYYLOGMGSA-N 0 0 462.568 2.698 40 0 biogenic,in-vitro JFABRN CCOc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000008676908 562950523 /nfs/dbraw/zinc/95/05/23/562950523.db2.gz LYSAYZQUELVCGD-FQEVSTJZSA-N 0 0 454.527 2.527 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1 ZINC000059816837 569607644 /nfs/dbraw/zinc/60/76/44/569607644.db2.gz RKQHXCRYWBNWQF-GDZNZVCISA-N 0 0 452.515 2.560 40 0 JFABRN COc1cc(NC(=O)Cn2nc3n(c2=O)c2ccccc2c(=O)n3Cc2ccc(C)cc2)cc(OC)c1 ZINC000064580783 569620515 /nfs/dbraw/zinc/62/05/15/569620515.db2.gz ZIZOTVCHQWCONV-UHFFFAOYSA-N 0 0 499.527 2.824 40 0 JFABRN Cc1ccc(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3CCC(=O)NC(C)C)cc1 ZINC000033292006 569622297 /nfs/dbraw/zinc/62/22/97/569622297.db2.gz VXNHQGLTPVRIMK-UHFFFAOYSA-N 0 0 478.578 2.998 40 0 JFABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCC(N)=O ZINC000033738713 569632956 /nfs/dbraw/zinc/63/29/56/569632956.db2.gz AQAFENZYVMIQHJ-LSCVHKIXSA-N 0 0 491.472 2.903 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OC)c([N+](=O)[O-])c3)C2=O)o1 ZINC000033763788 569633948 /nfs/dbraw/zinc/63/39/48/569633948.db2.gz WUESAVQXMSBZHB-SDQBBNPISA-N 0 0 480.227 2.838 40 0 JFABRN CCOC(=O)Cn1c(C)c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c2ccccc21 ZINC000033787211 569635039 /nfs/dbraw/zinc/63/50/39/569635039.db2.gz TUKUGNPQGSGEOB-WQRHYEAKSA-N 0 0 465.462 2.985 40 0 JFABRN COc1ccc(CNC(=O)[C@@H]2[C@@H]3C(=O)N(CCC(C)C)[C@@H](C(=O)NC(C)(C)C)[C@]34C=C[C@@]2(C)O4)cc1 ZINC000033939998 569639332 /nfs/dbraw/zinc/63/93/32/569639332.db2.gz LXOPWKWDGZDGIV-FDJKWIMSSA-N 0 0 497.636 2.813 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(O[C@@H](C)C(=O)OC)c(OC)c3)C2=O)o1 ZINC000034846589 569666839 /nfs/dbraw/zinc/66/68/39/569666839.db2.gz DRXIRCLPYJMCNN-LWHXSLQUSA-N 0 0 492.868 2.761 40 0 JFABRN COC(=O)c1ccccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C ZINC000035074042 569674265 /nfs/dbraw/zinc/67/42/65/569674265.db2.gz VYWDRDUVBQUPPJ-CQSZACIVSA-N 0 0 453.524 2.824 40 0 JFABRN CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)Cc1nn(CC)c(=O)c2ccccc12 ZINC000072337909 569703455 /nfs/dbraw/zinc/70/34/55/569703455.db2.gz GVTHNNACBNOPAH-LJQANCHMSA-N 0 0 487.560 2.786 40 0 JFABRN CC1(C)O[C@@H]2[C@@H](COC(=O)c3ccccc3)O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H]2O1 ZINC000035805249 569711440 /nfs/dbraw/zinc/71/14/40/569711440.db2.gz TZLDOHYHINLXCG-LPOZWGFCSA-N 0 0 491.500 2.770 40 0 JFABRN CC(C)(C)N1C(=O)[C@H]2[C@@H]([C@H](O)c3ccc(Cl)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000035808836 569712176 /nfs/dbraw/zinc/71/21/76/569712176.db2.gz BFNZVVRVIRCIOX-BERAWNTRSA-N 0 0 453.926 2.593 40 0 JFABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000095202037 569722046 /nfs/dbraw/zinc/72/20/46/569722046.db2.gz WTMHGSFINLFDLX-NRFANRHFSA-N 0 0 494.527 2.766 40 0 JFABRN CCOC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000095115762 569722093 /nfs/dbraw/zinc/72/20/93/569722093.db2.gz WVCLOWQJSRKPPN-YGWSKSRPSA-N 0 0 495.963 2.633 40 0 JFABRN CC(C)CN1CC2(CCN(C(=O)C3CCOCC3)CC2)COc2ccccc2S1(=O)=O ZINC000096037169 569732446 /nfs/dbraw/zinc/73/24/46/569732446.db2.gz XTFCEBIJWWFTHR-UHFFFAOYSA-N 0 0 450.601 2.761 40 0 JFABRN CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4ccc(F)cc4)cc32)n1 ZINC000096156472 569736813 /nfs/dbraw/zinc/73/68/13/569736813.db2.gz IQMBPJPESHAOSU-IBGZPJMESA-N 0 0 457.531 2.840 40 0 JFABRN CCCNC(=O)Cn1c(=O)/c(=C/c2c(F)cccc2Cl)s/c1=C\C(=O)c1ccc(OC)cc1 ZINC000097998990 569749196 /nfs/dbraw/zinc/74/91/96/569749196.db2.gz VHMXGVKZPFCRQO-JNCKMVCSSA-N 0 0 488.968 2.729 40 0 JFABRN O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000100145046 569753770 /nfs/dbraw/zinc/75/37/70/569753770.db2.gz ABTVVXDTDKGTEQ-GOSISDBHSA-N 0 0 477.439 2.764 40 0 JFABRN CCn1c(CCC(=O)O[C@@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000036253405 569758595 /nfs/dbraw/zinc/75/85/95/569758595.db2.gz BOOQKNQQCXROTL-BZSNNMDCSA-N 0 0 492.642 2.675 40 0 JFABRN CCC[C@]1(C(=O)OC)N[C@@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000100422574 569759927 /nfs/dbraw/zinc/75/99/27/569759927.db2.gz FRBXZKHVONDOQG-MSZDEVHKSA-N 0 0 496.516 2.595 40 0 JFABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000036339211 569763624 /nfs/dbraw/zinc/76/36/24/569763624.db2.gz NYXUXNSFFGVNMQ-DZFGPLHGSA-N 0 0 467.584 2.868 40 0 JFABRN COC(=O)C1=C(NCCc2ccc(OC)c(OC)c2)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccccc1 ZINC000036553467 569776398 /nfs/dbraw/zinc/77/63/98/569776398.db2.gz CHCBNBXOVYBRHA-LLGBQNBKSA-N 0 0 483.561 2.991 40 0 JFABRN O=C(OCCN1CCOCC1)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000036627554 569778938 /nfs/dbraw/zinc/77/89/38/569778938.db2.gz RCACYWZSEOATFA-UHFFFAOYSA-N 0 0 461.106 2.807 40 0 JFABRN COc1ccccc1N1CCN(C(=O)[C@H]2CC[C@H](Cn3nnc4ccccc4c3=O)CC2)CC1 ZINC000101372163 569794611 /nfs/dbraw/zinc/79/46/11/569794611.db2.gz JYCKDMRDFSHCHT-BGYRXZFFSA-N 0 0 461.566 2.955 40 0 JFABRN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H](C)C(=O)NCCc3ccccc3)CC2)cc1 ZINC000101450265 569797735 /nfs/dbraw/zinc/79/77/35/569797735.db2.gz WDMYOYPJGQYGAQ-MZYLBHOOSA-N 0 0 485.650 2.943 40 0 JFABRN CN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000101474969 569798982 /nfs/dbraw/zinc/79/89/82/569798982.db2.gz RHCWPIGBOPBPAR-TYKWCNGQSA-N 0 0 457.596 2.546 40 0 JFABRN C[C@H](NC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000101484802 569799373 /nfs/dbraw/zinc/79/93/73/569799373.db2.gz PGXJGSHBNPNMPF-CMKODMSKSA-N 0 0 475.586 2.904 40 0 JFABRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@H](C)CO2 ZINC000038140889 569799573 /nfs/dbraw/zinc/79/95/73/569799573.db2.gz JASYOPOIUHUBJK-USEXZEFUSA-N 0 0 464.643 2.850 40 0 biogenic JFABRN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCCCC1 ZINC000101491318 569799832 /nfs/dbraw/zinc/79/98/32/569799832.db2.gz NWOJHVQMWGEADX-HDICACEKSA-N 0 0 470.035 2.944 40 0 JFABRN COc1ccc(NC(=O)COc2ccc(Br)cc2[C@@H]2CC(=O)N=C3NC=NN32)cc1 ZINC000038200239 569800784 /nfs/dbraw/zinc/80/07/84/569800784.db2.gz YEHURFHQHZLYIZ-INIZCTEOSA-N 0 0 472.299 2.651 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(Br)cc2[C@@H]2CC(=O)N=C3NC=NN32)cc1 ZINC000038201229 569800804 /nfs/dbraw/zinc/80/08/04/569800804.db2.gz JKDRREYSVUQTIP-INIZCTEOSA-N 0 0 456.300 2.951 40 0 JFABRN O=C(COc1ccc(Br)cc1[C@H]1CC(=O)N=C2NC=NN21)Nc1ccc(F)cc1 ZINC000038200986 569800831 /nfs/dbraw/zinc/80/08/31/569800831.db2.gz CWVMRLZDZISACZ-OAHLLOKOSA-N 0 0 460.263 2.782 40 0 JFABRN O=C(c1ccc(CS(=O)(=O)N2CCCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000038754115 569806628 /nfs/dbraw/zinc/80/66/28/569806628.db2.gz YUUCBYNEAKIBBS-UHFFFAOYSA-N 0 0 485.606 2.689 40 0 JFABRN Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038754177 569806707 /nfs/dbraw/zinc/80/67/07/569806707.db2.gz HAWBCEBZAMZWTD-FQEVSTJZSA-N 0 0 460.943 2.678 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000038754485 569806772 /nfs/dbraw/zinc/80/67/72/569806772.db2.gz SCHIBXCORXGMEE-UHFFFAOYSA-N 0 0 462.524 2.668 40 0 JFABRN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000038772274 569807644 /nfs/dbraw/zinc/80/76/44/569807644.db2.gz HPRAARFPDSWFBX-UHFFFAOYSA-N 0 0 472.548 2.810 40 0 JFABRN CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cc(Cl)ccc2C)CC(=O)N3)CC1 ZINC000038828309 569808187 /nfs/dbraw/zinc/80/81/87/569808187.db2.gz OIAOEWZICUWANB-HNNXBMFYSA-N 0 0 487.944 2.576 40 0 JFABRN CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cc(Cl)ccc2C)CC(=O)N3)CC1 ZINC000038828312 569808319 /nfs/dbraw/zinc/80/83/19/569808319.db2.gz OIAOEWZICUWANB-OAHLLOKOSA-N 0 0 487.944 2.576 40 0 JFABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)Oc2ccccc21 ZINC000038854620 569808966 /nfs/dbraw/zinc/80/89/66/569808966.db2.gz MTCPCWMTDLRNSK-NRFANRHFSA-N 0 0 457.552 2.915 40 0 JFABRN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(=O)N2CCCC[C@@H]2C)c2ccccc12 ZINC000039556385 569810339 /nfs/dbraw/zinc/81/03/39/569810339.db2.gz COHCALBHFFVKAY-DEFALTHMSA-N 0 0 468.579 2.615 40 0 JFABRN CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3CC(=O)OC)cn(CC(=O)N(CC)CC)c21 ZINC000039556408 569810350 /nfs/dbraw/zinc/81/03/50/569810350.db2.gz KXKFIRNKCZJMEX-UNOMPAQXSA-N 0 0 470.595 2.645 40 0 JFABRN CCN(CC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000039985974 569813075 /nfs/dbraw/zinc/81/30/75/569813075.db2.gz ANGFFDOYOCJKJW-UHFFFAOYSA-N 0 0 470.931 2.793 40 0 JFABRN CCN(CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000039985859 569813128 /nfs/dbraw/zinc/81/31/28/569813128.db2.gz NRWJZSDRBYGRMC-UHFFFAOYSA-N 0 0 468.915 2.563 40 0 JFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N2 ZINC000040390471 569824928 /nfs/dbraw/zinc/82/49/28/569824928.db2.gz VUUKDJYRWFNEFB-IRXDYDNUSA-N 0 0 452.515 2.562 40 0 JFABRN CC(C)(C)N1C(=O)[C@@H]2[C@@H]([C@H](O)c3ccc(Cl)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000103515145 569835519 /nfs/dbraw/zinc/83/55/19/569835519.db2.gz OHOFGOANDVJBSY-CDXSOPQDSA-N 0 0 471.916 2.732 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3OC)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000103602304 569836528 /nfs/dbraw/zinc/83/65/28/569836528.db2.gz WJYRBMONUJVXEH-FBHQFGEZSA-N 0 0 479.558 2.837 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 ZINC000104707876 569846107 /nfs/dbraw/zinc/84/61/07/569846107.db2.gz BUUOGLJDNUVAFA-UHFFFAOYSA-N 0 0 474.535 2.995 40 0 JFABRN Cn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000107898787 569857860 /nfs/dbraw/zinc/85/78/60/569857860.db2.gz ASEXLPZWKATJKZ-UHFFFAOYSA-N 0 0 485.013 2.839 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1C ZINC000108224172 569859136 /nfs/dbraw/zinc/85/91/36/569859136.db2.gz YCSIEMJXGDEFLG-UHFFFAOYSA-N 0 0 489.575 2.769 40 0 JFABRN CCOC(=O)COc1c(/C=C2/NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)cc1OC ZINC000108984887 569860186 /nfs/dbraw/zinc/86/01/86/569860186.db2.gz ALNXJESDSPCYBP-OVCLIPMQSA-N 0 0 492.868 2.763 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000111909875 569861077 /nfs/dbraw/zinc/86/10/77/569861077.db2.gz GYQFBRSBXMYALW-JYWRCUDFSA-N 0 0 468.918 2.790 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)cc1 ZINC000113955454 569862610 /nfs/dbraw/zinc/86/26/10/569862610.db2.gz ZFJSNHUYVCREJQ-UHFFFAOYSA-N 0 0 479.986 2.997 40 0 JFABRN CC(=O)OC[C@]12CC[C@H](OC(C)=O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O ZINC000118924621 569863726 /nfs/dbraw/zinc/86/37/26/569863726.db2.gz BGGCJYNRGWRMDK-QVGCUVKGSA-N 0 0 490.593 2.833 40 0 JFABRN CC(=O)OC[C@]12CC[C@@H](OC(C)=O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O ZINC000118924624 569863739 /nfs/dbraw/zinc/86/37/39/569863739.db2.gz BGGCJYNRGWRMDK-BWRUVFITSA-N 0 0 490.593 2.833 40 0 JFABRN CO[C@@H]1O[C@@]23CC[C@@]4(O)C[C@@H](OC(C)=O)CC[C@@]14[C@H]2CC[C@@]1(C)[C@H]3CC[C@@H]1C(=O)COC(C)=O ZINC000119197564 569864198 /nfs/dbraw/zinc/86/41/98/569864198.db2.gz KEOOAUOUZQFIKC-GDTUHEAOSA-N 0 0 478.582 2.930 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000138679217 569866251 /nfs/dbraw/zinc/86/62/51/569866251.db2.gz ZBTCNUKEJHYITP-SFHVURJKSA-N 0 0 494.548 2.618 40 0 JFABRN COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cccc3ccccc32)CC1=O ZINC000138816158 569866457 /nfs/dbraw/zinc/86/64/57/569866457.db2.gz DBRXDVRNCOCVQF-QGZVFWFLSA-N 0 0 461.474 2.524 40 0 JFABRN Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3)C2)c1C ZINC000138862741 569866541 /nfs/dbraw/zinc/86/65/41/569866541.db2.gz RXZSUVFMLAZAKQ-MRXNPFEDSA-N 0 0 488.338 2.741 40 0 JFABRN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N3)C1 ZINC000139076692 569867005 /nfs/dbraw/zinc/86/70/05/569867005.db2.gz ONHWUSZHQGLPCY-BXUZGUMPSA-N 0 0 460.332 2.833 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)Nc1ccc(F)cc1 ZINC000139087508 569867046 /nfs/dbraw/zinc/86/70/46/569867046.db2.gz SXIFCVYMJCRKPH-NSHDSACASA-N 0 0 468.268 2.808 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)Nc1ccc(F)cc1 ZINC000139087375 569867060 /nfs/dbraw/zinc/86/70/60/569867060.db2.gz SXIFCVYMJCRKPH-LLVKDONJSA-N 0 0 468.268 2.808 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4CC)[nH]c(=O)c32)cc1 ZINC000139108845 569867133 /nfs/dbraw/zinc/86/71/33/569867133.db2.gz VGKIJSAOHFWQPI-DLBZAZTESA-N 0 0 467.526 2.780 40 0 JFABRN O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000144004468 569867706 /nfs/dbraw/zinc/86/77/06/569867706.db2.gz AURILOUBZCPVJZ-HKUYNNGSSA-N 0 0 467.385 2.634 40 0 JFABRN CC(C)OC(=O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@@H]3Sc2[nH]c(=O)sc2[C@@H]1c1cccs1 ZINC000170612631 569872829 /nfs/dbraw/zinc/87/28/29/569872829.db2.gz HBLVDLZQMWYJPL-VMLUFQHDSA-N 0 0 490.628 2.923 40 0 JFABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc(I)c1OC ZINC000205696998 569874126 /nfs/dbraw/zinc/87/41/26/569874126.db2.gz WSRXMOCLFLBSEY-KPKJPENVSA-N 0 0 477.276 2.908 40 0 JFABRN CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O ZINC000214271630 569876487 /nfs/dbraw/zinc/87/64/87/569876487.db2.gz LVNBFLULZMMWHK-XNTDXEJSSA-N 0 0 455.330 2.743 40 0 JFABRN COc1ccc(S[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC ZINC000216285011 569878120 /nfs/dbraw/zinc/87/81/20/569878120.db2.gz SIBDRLTVTJJFSU-MRXNPFEDSA-N 0 0 450.582 2.718 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(-n4ccnc4C)cc3)C2)cc1 ZINC000216335786 569878377 /nfs/dbraw/zinc/87/83/77/569878377.db2.gz VTOMQIPGCSQPMK-FQEVSTJZSA-N 0 0 468.579 2.906 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000216437866 569878813 /nfs/dbraw/zinc/87/88/13/569878813.db2.gz KCNIPFGTSIKOFZ-UHFFFAOYSA-N 0 0 495.623 2.501 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222370485 569883948 /nfs/dbraw/zinc/88/39/48/569883948.db2.gz OCRLSSNVCLYEME-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222370568 569883962 /nfs/dbraw/zinc/88/39/62/569883962.db2.gz LATNNDNZGGHTEG-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222377818 569884018 /nfs/dbraw/zinc/88/40/18/569884018.db2.gz KEFDZILKCORJPJ-HNNXBMFYSA-N 0 0 469.966 2.717 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222392304 569884070 /nfs/dbraw/zinc/88/40/70/569884070.db2.gz WJRGIXUOWDPLEQ-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222392067 569884082 /nfs/dbraw/zinc/88/40/82/569884082.db2.gz POLHGJMFVGSLTP-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222413118 569884172 /nfs/dbraw/zinc/88/41/72/569884172.db2.gz VTZBCFHPMFSQMA-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222423124 569884180 /nfs/dbraw/zinc/88/41/80/569884180.db2.gz KLGFRXALLSVADV-HNNXBMFYSA-N 0 0 469.966 2.717 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222415002 569884207 /nfs/dbraw/zinc/88/42/07/569884207.db2.gz BXOOXABWHLSXPC-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222474290 569884562 /nfs/dbraw/zinc/88/45/62/569884562.db2.gz SGLHZROVJFHANF-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222483707 569884694 /nfs/dbraw/zinc/88/46/94/569884694.db2.gz NOSZJSTYXPQUJQ-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222484619 569884725 /nfs/dbraw/zinc/88/47/25/569884725.db2.gz GXXOVKOFLHGJAO-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222505115 569884970 /nfs/dbraw/zinc/88/49/70/569884970.db2.gz ZOOQMKCXIIDUBW-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC)S(C)(=O)=O ZINC000222504683 569884971 /nfs/dbraw/zinc/88/49/71/569884971.db2.gz NNGCJAJQBOKFSB-INIZCTEOSA-N 0 0 466.003 2.832 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222520956 569885101 /nfs/dbraw/zinc/88/51/01/569885101.db2.gz YPBVUTMQRKCEFD-GOSISDBHSA-N 0 0 495.045 2.733 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222531441 569885171 /nfs/dbraw/zinc/88/51/71/569885171.db2.gz AXGLFTFXOFSWOS-IBGZPJMESA-N 0 0 491.997 2.817 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000222528941 569885206 /nfs/dbraw/zinc/88/52/06/569885206.db2.gz SAWJHEJDIACEMK-KRWDZBQOSA-N 0 0 466.003 2.904 40 0 JFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222529573 569885212 /nfs/dbraw/zinc/88/52/12/569885212.db2.gz SSPDLVQFYLMUSC-ZDXQCDESSA-N 0 0 491.563 2.853 40 0 JFABRN COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c(OC)c1OC ZINC000222539877 569885345 /nfs/dbraw/zinc/88/53/45/569885345.db2.gz DDXVVKIDUPRMTM-UHFFFAOYSA-N 0 0 478.552 2.603 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000222550911 569885590 /nfs/dbraw/zinc/88/55/90/569885590.db2.gz WAJNWCSSNDSGMK-MRXNPFEDSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000222551370 569885634 /nfs/dbraw/zinc/88/56/34/569885634.db2.gz AUCSAMXPOYHTFF-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000222555781 569885775 /nfs/dbraw/zinc/88/57/75/569885775.db2.gz UJEBVGQXMRRKJH-QGZVFWFLSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222557403 569885789 /nfs/dbraw/zinc/88/57/89/569885789.db2.gz ZJCIZPDXICGNTG-DEOSSOPVSA-N 0 0 497.592 2.978 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 ZINC000222568937 569885979 /nfs/dbraw/zinc/88/59/79/569885979.db2.gz YFSBANZGFYTTKU-SFHVURJKSA-N 0 0 490.578 2.849 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222604626 569886819 /nfs/dbraw/zinc/88/68/19/569886819.db2.gz XCWTVPKNMFOJDX-HNNXBMFYSA-N 0 0 469.966 2.717 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222604730 569886841 /nfs/dbraw/zinc/88/68/41/569886841.db2.gz SZTRMYQBYIHEDT-OAHLLOKOSA-N 0 0 469.966 2.717 40 0 JFABRN CCS(=O)(=O)N(CC(=O)n1cc(C(=O)OC)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000222606594 569886906 /nfs/dbraw/zinc/88/69/06/569886906.db2.gz HQTFLITXABWCLX-UHFFFAOYSA-N 0 0 458.492 2.696 40 0 JFABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(CC(N)=O)cc2)C1 ZINC000222609274 569886948 /nfs/dbraw/zinc/88/69/48/569886948.db2.gz BWIKZSJRXOKUNP-MRXNPFEDSA-N 0 0 479.986 2.806 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1 ZINC000222621414 569887156 /nfs/dbraw/zinc/88/71/56/569887156.db2.gz HJQBOYHKDYBIMU-UHFFFAOYSA-N 0 0 478.542 2.979 40 0 JFABRN COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000222622739 569887183 /nfs/dbraw/zinc/88/71/83/569887183.db2.gz JVIUEHIZIVQFAJ-KRWDZBQOSA-N 0 0 450.532 2.902 40 0 JFABRN Cc1ccc(CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000222634220 569887389 /nfs/dbraw/zinc/88/73/89/569887389.db2.gz KJEVAKGFMSSITI-UHFFFAOYSA-N 0 0 479.624 2.570 40 0 JFABRN COC(=O)c1cn(C(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c2ccccc12 ZINC000222631814 569887393 /nfs/dbraw/zinc/88/73/93/569887393.db2.gz FJVHSABRMQEAMW-AWEZNQCLSA-N 0 0 460.508 2.940 40 0 JFABRN COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OC)c1OC ZINC000222637931 569887519 /nfs/dbraw/zinc/88/75/19/569887519.db2.gz CUJWDNDSRWHENP-UHFFFAOYSA-N 0 0 478.567 2.534 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222649464 569887711 /nfs/dbraw/zinc/88/77/11/569887711.db2.gz PLLHLMFSOMPPKX-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN Cc1nc(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)n[nH]1 ZINC000222694081 569888805 /nfs/dbraw/zinc/88/88/05/569888805.db2.gz USAKHBSUJOGSRH-UHFFFAOYSA-N 0 0 475.596 2.818 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222704541 569889031 /nfs/dbraw/zinc/88/90/31/569889031.db2.gz KMINFBKIQQNWLB-HXUWFJFHSA-N 0 0 459.612 2.782 40 0 JFABRN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222710484 569889253 /nfs/dbraw/zinc/88/92/53/569889253.db2.gz UYOJTURLNAAKBJ-OAHLLOKOSA-N 0 0 495.395 2.827 40 0 JFABRN COc1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1N1C(=O)CCC1=O ZINC000222716003 569889408 /nfs/dbraw/zinc/88/94/08/569889408.db2.gz NMBIVVDOKBOJBT-UHFFFAOYSA-N 0 0 452.529 2.699 40 0 JFABRN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc2c(c1)OCCO2 ZINC000222722856 569889578 /nfs/dbraw/zinc/88/95/78/569889578.db2.gz NMAJEDAHAYQQGQ-OAHLLOKOSA-N 0 0 479.986 2.538 40 0 JFABRN CS(=O)(=O)N1C[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)Oc2ccc(Cl)cc21 ZINC000222744910 569890160 /nfs/dbraw/zinc/89/01/60/569890160.db2.gz MVPHCTNIQPDDQE-FQEVSTJZSA-N 0 0 464.971 2.732 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222770705 569890682 /nfs/dbraw/zinc/89/06/82/569890682.db2.gz JGJBTHJFWWIIQQ-ZDUSSCGKSA-N 0 0 498.388 2.691 40 0 JFABRN Cc1nc(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2C)n[nH]1 ZINC000222797170 569891303 /nfs/dbraw/zinc/89/13/03/569891303.db2.gz XAXIINKJTSZZDK-UHFFFAOYSA-N 0 0 461.569 2.510 40 0 JFABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(CC(N)=O)cc1 ZINC000222798282 569891338 /nfs/dbraw/zinc/89/13/38/569891338.db2.gz UUIMJPOGUJVHDU-UHFFFAOYSA-N 0 0 453.520 2.841 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222810120 569891693 /nfs/dbraw/zinc/89/16/93/569891693.db2.gz JWYREUJJPGRGSN-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)N(C)C)cc3C)cc2)CC1 ZINC000222815371 569891789 /nfs/dbraw/zinc/89/17/89/569891789.db2.gz WKTNAYCBPHKXKR-UHFFFAOYSA-N 0 0 460.552 2.858 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222820297 569891965 /nfs/dbraw/zinc/89/19/65/569891965.db2.gz QTFAGEIFMNPXNF-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222843547 569892513 /nfs/dbraw/zinc/89/25/13/569892513.db2.gz WVZHENJFZSYENY-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222858796 569892903 /nfs/dbraw/zinc/89/29/03/569892903.db2.gz YDXGWTDMGQTBRE-IBGZPJMESA-N 0 0 477.602 2.921 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222867534 569893106 /nfs/dbraw/zinc/89/31/06/569893106.db2.gz REVDBRFKKIRJID-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN COc1cc(CN(C)C(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC ZINC000222880061 569893401 /nfs/dbraw/zinc/89/34/01/569893401.db2.gz WGGLZHBHCYJJGS-UHFFFAOYSA-N 0 0 450.557 2.554 40 0 JFABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000222884467 569893535 /nfs/dbraw/zinc/89/35/35/569893535.db2.gz HTYQLVCYMAAATP-RMKNXTFCSA-N 0 0 459.637 2.887 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000222888329 569893649 /nfs/dbraw/zinc/89/36/49/569893649.db2.gz TVPJFEMEAYJLAD-IBGZPJMESA-N 0 0 459.612 2.782 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222901768 569893936 /nfs/dbraw/zinc/89/39/36/569893936.db2.gz PBXRNVAXVNMDLU-MRXNPFEDSA-N 0 0 451.976 2.659 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222915058 569894259 /nfs/dbraw/zinc/89/42/59/569894259.db2.gz ZKQMPFJOKHEEHC-MRXNPFEDSA-N 0 0 494.013 2.862 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222917113 569894298 /nfs/dbraw/zinc/89/42/98/569894298.db2.gz APRXEXJIOBQHTN-QGZVFWFLSA-N 0 0 481.018 2.506 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222916262 569894300 /nfs/dbraw/zinc/89/43/00/569894300.db2.gz KJFDIKPASPRAKU-HSZRJFAPSA-N 0 0 489.638 2.836 40 0 JFABRN COc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000222917893 569894359 /nfs/dbraw/zinc/89/43/59/569894359.db2.gz SVXZBFATWSYWGK-UHFFFAOYSA-N 0 0 495.623 2.681 40 0 JFABRN CCOC(=O)C1(c2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)cc2)CC1 ZINC000222919805 569894371 /nfs/dbraw/zinc/89/43/71/569894371.db2.gz CQYNDVRACQIONJ-UHFFFAOYSA-N 0 0 488.562 2.563 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000222923987 569894551 /nfs/dbraw/zinc/89/45/51/569894551.db2.gz AKRWCVTYQHBZSX-OAQYLSRUSA-N 0 0 489.638 2.836 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222927102 569894655 /nfs/dbraw/zinc/89/46/55/569894655.db2.gz PFQRLKAOVCPOKD-MRXNPFEDSA-N 0 0 491.997 2.818 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222935616 569894874 /nfs/dbraw/zinc/89/48/74/569894874.db2.gz SFJAOFDLDHHPKZ-IBGZPJMESA-N 0 0 451.976 2.659 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000222935812 569894877 /nfs/dbraw/zinc/89/48/77/569894877.db2.gz DPJGVVCMMMXPFC-LJQANCHMSA-N 0 0 496.427 2.769 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000222938154 569894943 /nfs/dbraw/zinc/89/49/43/569894943.db2.gz AREAKJFRHZRTRM-IBGZPJMESA-N 0 0 466.003 2.968 40 0 JFABRN CN1CCN(S(=O)(=O)c2cc(C(=O)NCC3(c4ccccc4)CCOCC3)ccc2Cl)CC1 ZINC000222938818 569894973 /nfs/dbraw/zinc/89/49/73/569894973.db2.gz OTFKJIROXYYEOO-UHFFFAOYSA-N 0 0 492.041 2.754 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222939635 569894996 /nfs/dbraw/zinc/89/49/96/569894996.db2.gz RTEZETBCHLULBU-NRFANRHFSA-N 0 0 485.606 2.596 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000222944070 569895157 /nfs/dbraw/zinc/89/51/57/569895157.db2.gz HHEPCSKRWKKHCQ-LJQANCHMSA-N 0 0 489.638 2.870 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222949110 569895248 /nfs/dbraw/zinc/89/52/48/569895248.db2.gz LJUKSZCQNDNNNT-LJQANCHMSA-N 0 0 487.622 2.576 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222949161 569895254 /nfs/dbraw/zinc/89/52/54/569895254.db2.gz LJUKSZCQNDNNNT-IBGZPJMESA-N 0 0 487.622 2.576 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000222953795 569895321 /nfs/dbraw/zinc/89/53/21/569895321.db2.gz RGSAPQNCOYEYBW-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000222956340 569895372 /nfs/dbraw/zinc/89/53/72/569895372.db2.gz XITAZAKNBKOCCQ-SFHVURJKSA-N 0 0 463.575 2.762 40 0 JFABRN COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@H](C)C(=O)NCCN2CCOCC2)cc1 ZINC000222957600 569895434 /nfs/dbraw/zinc/89/54/34/569895434.db2.gz KTWPSAHRDWFRPR-LJQANCHMSA-N 0 0 490.000 2.593 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222959047 569895438 /nfs/dbraw/zinc/89/54/38/569895438.db2.gz FSCYLOFZEFNVKH-LJQANCHMSA-N 0 0 451.976 2.514 40 0 JFABRN COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000222960832 569895514 /nfs/dbraw/zinc/89/55/14/569895514.db2.gz ZYWMHDADOVCULQ-PGRDOPGGSA-N 0 0 470.566 2.967 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222978974 569895960 /nfs/dbraw/zinc/89/59/60/569895960.db2.gz XTTAQGGEZPCNEP-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222981993 569896040 /nfs/dbraw/zinc/89/60/40/569896040.db2.gz SUTVOMXJHYCSAU-FQEVSTJZSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222992725 569896424 /nfs/dbraw/zinc/89/64/24/569896424.db2.gz KSZGAYDKJHXDEL-QFIPXVFZSA-N 0 0 473.595 2.517 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223006285 569896663 /nfs/dbraw/zinc/89/66/63/569896663.db2.gz FHSONBZKRHSBRL-QFIPXVFZSA-N 0 0 459.612 2.949 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223006036 569896664 /nfs/dbraw/zinc/89/66/64/569896664.db2.gz PULHIDJRVLWIPY-HXUWFJFHSA-N 0 0 466.003 2.822 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223028585 569897224 /nfs/dbraw/zinc/89/72/24/569897224.db2.gz RYSSCEBPPGKECR-OAQYLSRUSA-N 0 0 459.612 2.931 40 0 JFABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000223028915 569897237 /nfs/dbraw/zinc/89/72/37/569897237.db2.gz RTSTUBJHLLREOP-KRWDZBQOSA-N 0 0 482.562 2.813 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223032671 569897353 /nfs/dbraw/zinc/89/73/53/569897353.db2.gz ZJWKZNXSVDQVEF-OAQYLSRUSA-N 0 0 459.612 2.931 40 0 JFABRN CC(C)CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000223044344 569897607 /nfs/dbraw/zinc/89/76/07/569897607.db2.gz KIKOBYIYJOGQHX-HSZRJFAPSA-N 0 0 473.639 2.680 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223054335 569897944 /nfs/dbraw/zinc/89/79/44/569897944.db2.gz PJRSEODIIUHCPL-JKSUJKDBSA-N 0 0 491.997 2.817 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223071973 569898591 /nfs/dbraw/zinc/89/85/91/569898591.db2.gz DHAFTYVLVXLRSQ-KRWDZBQOSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000223072004 569898596 /nfs/dbraw/zinc/89/85/96/569898596.db2.gz ABVRMBCJUYZAEL-QHCPKHFHSA-N 0 0 488.606 2.851 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223075800 569898697 /nfs/dbraw/zinc/89/86/97/569898697.db2.gz LMBMFUYJERONBE-LJQANCHMSA-N 0 0 466.003 2.968 40 0 JFABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223114284 569899824 /nfs/dbraw/zinc/89/98/24/569899824.db2.gz AOEIQEOHBOTJRI-OAQYLSRUSA-N 0 0 480.030 2.698 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223123562 569900147 /nfs/dbraw/zinc/90/01/47/569900147.db2.gz SLXQVNVMLAXVFH-IBGZPJMESA-N 0 0 469.966 2.799 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223131442 569900462 /nfs/dbraw/zinc/90/04/62/569900462.db2.gz IKLISQHUXFHDPK-IRXDYDNUSA-N 0 0 489.569 2.692 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223137314 569900786 /nfs/dbraw/zinc/90/07/86/569900786.db2.gz QRXWZKVJUVAWHH-FQEVSTJZSA-N 0 0 499.008 2.645 40 0 JFABRN Cc1ccccc1N(CCCC(=O)NCc1ccccc1CN1CCCC1=O)S(C)(=O)=O ZINC000223164211 569901617 /nfs/dbraw/zinc/90/16/17/569901617.db2.gz QZILLCWVHXQOQX-UHFFFAOYSA-N 0 0 457.596 2.980 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223165162 569901638 /nfs/dbraw/zinc/90/16/38/569901638.db2.gz DZWAQGWWPMOVKK-FQEVSTJZSA-N 0 0 466.003 2.968 40 0 JFABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 ZINC000223165720 569901676 /nfs/dbraw/zinc/90/16/76/569901676.db2.gz UYIBWZMJSBJVQO-DNQXCXABSA-N 0 0 491.617 2.964 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223167925 569901865 /nfs/dbraw/zinc/90/18/65/569901865.db2.gz YPONBJDCIXUUGR-SFHVURJKSA-N 0 0 469.966 2.799 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223169906 569901897 /nfs/dbraw/zinc/90/18/97/569901897.db2.gz JLBWQECSSZGKDC-INIZCTEOSA-N 0 0 491.997 2.818 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000223175793 569902130 /nfs/dbraw/zinc/90/21/30/569902130.db2.gz ZLBWSUVVIWXYIX-INIZCTEOSA-N 0 0 478.567 2.899 40 0 JFABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C[C@@H]2CCCO2)N1CCCN1CCOCC1 ZINC000223177970 569902179 /nfs/dbraw/zinc/90/21/79/569902179.db2.gz WWNPZXYZNBTLPS-WWPVKYPJSA-N 0 0 455.628 2.757 40 0 JFABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000223204640 569903347 /nfs/dbraw/zinc/90/33/47/569903347.db2.gz SPYQIKKNSSFXIE-DEOSSOPVSA-N 0 0 455.574 2.870 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223210694 569903619 /nfs/dbraw/zinc/90/36/19/569903619.db2.gz MTBQYLKXZVOVLR-LJQANCHMSA-N 0 0 469.966 2.799 40 0 JFABRN CC[C@@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223227873 569904196 /nfs/dbraw/zinc/90/41/96/569904196.db2.gz OZGJLHFXGXFDBZ-AWEZNQCLSA-N 0 0 472.614 2.603 40 0 JFABRN COC(=O)c1cc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000223235717 569904449 /nfs/dbraw/zinc/90/44/49/569904449.db2.gz GEYNIAXQCLLPBB-UHFFFAOYSA-N 0 0 466.487 2.584 40 0 JFABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1)c1ccc(OC)c(C)c1 ZINC000223240338 569904605 /nfs/dbraw/zinc/90/46/05/569904605.db2.gz DZMAVUWYXFZUOQ-FQEVSTJZSA-N 0 0 462.568 2.914 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCc1cccc(C)c1 ZINC000223283362 569906090 /nfs/dbraw/zinc/90/60/90/569906090.db2.gz VBHPFTFPZJDEGI-UHFFFAOYSA-N 0 0 460.596 2.706 40 0 JFABRN COc1ccc(CN(C(=O)COc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCCO)cc1 ZINC000223289037 569906344 /nfs/dbraw/zinc/90/63/44/569906344.db2.gz IZPWSAAHEBFEHL-RUZDIDTESA-N 0 0 462.546 2.823 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 ZINC000223291117 569906407 /nfs/dbraw/zinc/90/64/07/569906407.db2.gz MBVLAAHPBBODKS-UHFFFAOYSA-N 0 0 466.487 2.584 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223294090 569906521 /nfs/dbraw/zinc/90/65/21/569906521.db2.gz DTONPOUCQHYWIW-HXUWFJFHSA-N 0 0 485.606 2.862 40 0 JFABRN CCOc1ccc(-c2noc(CN(C)C(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 ZINC000223326268 569907670 /nfs/dbraw/zinc/90/76/70/569907670.db2.gz BCICYVVEMUQTAL-UHFFFAOYSA-N 0 0 474.539 2.569 40 0 JFABRN CN(CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1)S(C)(=O)=O ZINC000223331355 569907773 /nfs/dbraw/zinc/90/77/73/569907773.db2.gz ZFUNDOQCPWLWHI-HSZRJFAPSA-N 0 0 469.563 2.557 40 0 JFABRN CC(C)CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000223332462 569907842 /nfs/dbraw/zinc/90/78/42/569907842.db2.gz UBBDVTIYTWFCHN-QHCPKHFHSA-N 0 0 459.612 2.810 40 0 JFABRN CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000223332257 569907869 /nfs/dbraw/zinc/90/78/69/569907869.db2.gz BXJNHLQOEGVLFH-HSZRJFAPSA-N 0 0 459.612 2.954 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223351939 569908315 /nfs/dbraw/zinc/90/83/15/569908315.db2.gz AOEJJSZRGLKZKU-KRWDZBQOSA-N 0 0 498.388 2.691 40 0 JFABRN COc1ccc(CNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c(OC)c1OC ZINC000223370832 569909183 /nfs/dbraw/zinc/90/91/83/569909183.db2.gz VWKKNUXIYYROPO-UHFFFAOYSA-N 0 0 454.520 2.714 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223388001 569909561 /nfs/dbraw/zinc/90/95/61/569909561.db2.gz XZOWACHKKIAGIR-HXUWFJFHSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223391689 569909677 /nfs/dbraw/zinc/90/96/77/569909677.db2.gz MYWZFPLULQEXEC-OAQYLSRUSA-N 0 0 475.611 2.631 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)s1 ZINC000223394018 569909757 /nfs/dbraw/zinc/90/97/57/569909757.db2.gz RROAWOOPNJZWHM-MRVPVSSYSA-N 0 0 499.423 2.903 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)s1 ZINC000223394080 569909781 /nfs/dbraw/zinc/90/97/81/569909781.db2.gz RROAWOOPNJZWHM-QMMMGPOBSA-N 0 0 499.423 2.903 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000223400155 569909912 /nfs/dbraw/zinc/90/99/12/569909912.db2.gz CMWOQRGYODPWLQ-UHFFFAOYSA-N 0 0 457.581 2.702 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccccc1Cl ZINC000223400418 569909932 /nfs/dbraw/zinc/90/99/32/569909932.db2.gz XQBLOGPIACMXCV-UHFFFAOYSA-N 0 0 486.015 2.525 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223433803 569911309 /nfs/dbraw/zinc/91/13/09/569911309.db2.gz DGRLJPHZZLXGLH-HXUWFJFHSA-N 0 0 496.029 2.976 40 0 JFABRN COc1ccc(N(CCCC(=O)NCc2nc(-c3cccc(OC)c3)no2)S(C)(=O)=O)cc1 ZINC000223442114 569911551 /nfs/dbraw/zinc/91/15/51/569911551.db2.gz MIROTPIFQXYVNM-UHFFFAOYSA-N 0 0 474.539 2.616 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223447784 569911690 /nfs/dbraw/zinc/91/16/90/569911690.db2.gz MYGAFYNGFNEXFH-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223458726 569912011 /nfs/dbraw/zinc/91/20/11/569912011.db2.gz HNGVMTNSNPTFNP-FQEVSTJZSA-N 0 0 489.638 2.958 40 0 JFABRN CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223467650 569912277 /nfs/dbraw/zinc/91/22/77/569912277.db2.gz SVHSJPZQJSNWRZ-QFIPXVFZSA-N 0 0 463.575 2.559 40 0 JFABRN CC(C)CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223470329 569912352 /nfs/dbraw/zinc/91/23/52/569912352.db2.gz ZSVCQFPQUQKWRE-HSZRJFAPSA-N 0 0 477.602 2.949 40 0 JFABRN CC(C)CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223470382 569912391 /nfs/dbraw/zinc/91/23/91/569912391.db2.gz ZSVCQFPQUQKWRE-QHCPKHFHSA-N 0 0 477.602 2.949 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223473417 569912475 /nfs/dbraw/zinc/91/24/75/569912475.db2.gz UIXPCMXAXBCPSV-OAQYLSRUSA-N 0 0 459.612 2.665 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223473634 569912492 /nfs/dbraw/zinc/91/24/92/569912492.db2.gz PLFKGXZHUSNWQO-QFIPXVFZSA-N 0 0 459.612 2.665 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223486383 569913035 /nfs/dbraw/zinc/91/30/35/569913035.db2.gz QWENGVOYLJEOPI-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223489524 569913215 /nfs/dbraw/zinc/91/32/15/569913215.db2.gz JBIWHMDQRNNBMU-QFIPXVFZSA-N 0 0 488.654 2.512 40 0 JFABRN CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223539424 569915203 /nfs/dbraw/zinc/91/52/03/569915203.db2.gz GUXCODCURWIGDK-DEOSSOPVSA-N 0 0 489.638 2.963 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223542364 569915355 /nfs/dbraw/zinc/91/53/55/569915355.db2.gz DMUFEXNXPQOYHY-IBGZPJMESA-N 0 0 475.611 2.795 40 0 JFABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223553399 569915761 /nfs/dbraw/zinc/91/57/61/569915761.db2.gz AMIBHBCPPYGGGA-IBGZPJMESA-N 0 0 485.606 2.597 40 0 JFABRN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCOc3cccc4ccccc43)cc2)CC1 ZINC000223560147 569916020 /nfs/dbraw/zinc/91/60/20/569916020.db2.gz ZDCQWDFIMNVALM-UHFFFAOYSA-N 0 0 467.591 2.726 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223567822 569916384 /nfs/dbraw/zinc/91/63/84/569916384.db2.gz BVDRRPTVXMGTEU-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223571343 569916426 /nfs/dbraw/zinc/91/64/26/569916426.db2.gz DLGZSVBJQHVNFY-IBGZPJMESA-N 0 0 459.612 2.877 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223576862 569916570 /nfs/dbraw/zinc/91/65/70/569916570.db2.gz DBZWQDXQPYBYAO-MRXNPFEDSA-N 0 0 467.538 2.593 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223576912 569916614 /nfs/dbraw/zinc/91/66/14/569916614.db2.gz DBZWQDXQPYBYAO-INIZCTEOSA-N 0 0 467.538 2.593 40 0 JFABRN COc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1OC ZINC000223592215 569917154 /nfs/dbraw/zinc/91/71/54/569917154.db2.gz NMHMVCBSDAIPOU-UHFFFAOYSA-N 0 0 458.536 2.818 40 0 JFABRN CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C(=O)NC(C)C)c3)n2)cc1 ZINC000223599437 569917382 /nfs/dbraw/zinc/91/73/82/569917382.db2.gz NTSXVEURPOOCOB-UHFFFAOYSA-N 0 0 474.539 2.761 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1NC(C)=O ZINC000223603140 569917576 /nfs/dbraw/zinc/91/75/76/569917576.db2.gz QSUAJGGPELUWON-UHFFFAOYSA-N 0 0 476.511 2.542 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223611054 569917861 /nfs/dbraw/zinc/91/78/61/569917861.db2.gz BQSMOWLSBHQXAH-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)c1 ZINC000223617001 569917960 /nfs/dbraw/zinc/91/79/60/569917960.db2.gz AAWWSRCDNRSFHQ-UHFFFAOYSA-N 0 0 461.496 2.670 40 0 JFABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)n2)cc1OC ZINC000223620071 569918115 /nfs/dbraw/zinc/91/81/15/569918115.db2.gz BEDGRHIYBXLJSN-UHFFFAOYSA-N 0 0 486.550 2.874 40 0 JFABRN O=C(NCCOc1ccc2ccccc2c1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000223629535 569918378 /nfs/dbraw/zinc/91/83/78/569918378.db2.gz XJUGKSTUKGTXGA-UHFFFAOYSA-N 0 0 454.548 2.811 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223652631 569918986 /nfs/dbraw/zinc/91/89/86/569918986.db2.gz GOSNMCDOCDWUPI-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223652456 569919012 /nfs/dbraw/zinc/91/90/12/569919012.db2.gz RKASSBMOWNOOJN-IBGZPJMESA-N 0 0 459.612 2.877 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223655965 569919166 /nfs/dbraw/zinc/91/91/66/569919166.db2.gz YGMWPUCCCOVHES-FQEVSTJZSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223697064 569920326 /nfs/dbraw/zinc/92/03/26/569920326.db2.gz QVPAFBRLHQCXPK-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223712305 569920840 /nfs/dbraw/zinc/92/08/40/569920840.db2.gz RHTQNXPOISKPFO-NRFANRHFSA-N 0 0 499.633 2.986 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223716174 569920917 /nfs/dbraw/zinc/92/09/17/569920917.db2.gz AGGBFZHITTUCAJ-QGZVFWFLSA-N 0 0 466.003 2.822 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000223718699 569920964 /nfs/dbraw/zinc/92/09/64/569920964.db2.gz KGPBAKKNVUJRNR-UHFFFAOYSA-N 0 0 457.552 2.788 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223737011 569921600 /nfs/dbraw/zinc/92/16/00/569921600.db2.gz DPXOPZTVPXNXPJ-IBGZPJMESA-N 0 0 487.622 2.937 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223739736 569921707 /nfs/dbraw/zinc/92/17/07/569921707.db2.gz XQJSBDLFEHGQDL-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223748740 569922004 /nfs/dbraw/zinc/92/20/04/569922004.db2.gz YFYCKVVQOSWWPD-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223786126 569923292 /nfs/dbraw/zinc/92/32/92/569923292.db2.gz HAIFVBNOACEOSV-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223787981 569923329 /nfs/dbraw/zinc/92/33/29/569923329.db2.gz CMWGEWIWYFMBQP-OAHLLOKOSA-N 0 0 499.992 2.807 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223788033 569923335 /nfs/dbraw/zinc/92/33/35/569923335.db2.gz CMWGEWIWYFMBQP-HNNXBMFYSA-N 0 0 499.992 2.807 40 0 JFABRN Cc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223804460 569923872 /nfs/dbraw/zinc/92/38/72/569923872.db2.gz OVWPJVQMNGYROT-GOSISDBHSA-N 0 0 483.590 2.616 40 0 JFABRN Cc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223810930 569924085 /nfs/dbraw/zinc/92/40/85/569924085.db2.gz NJGWNSKIMPPHNR-GOSISDBHSA-N 0 0 483.590 2.616 40 0 JFABRN Cc1nc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)sc1C(=O)OC(C)C ZINC000223809859 569924086 /nfs/dbraw/zinc/92/40/86/569924086.db2.gz NDZJLXWUUTWPPN-CYBMUJFWSA-N 0 0 454.574 2.949 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223825124 569924419 /nfs/dbraw/zinc/92/44/19/569924419.db2.gz DUFFCSKZAVSHFN-GOSISDBHSA-N 0 0 495.045 2.896 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223835741 569924730 /nfs/dbraw/zinc/92/47/30/569924730.db2.gz LCHFXUUMTMNTKL-MRXNPFEDSA-N 0 0 491.997 2.818 40 0 JFABRN C[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223849409 569925038 /nfs/dbraw/zinc/92/50/38/569925038.db2.gz DIBHRAZDPOQAFZ-UONOGXRCSA-N 0 0 458.989 2.775 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223854353 569925182 /nfs/dbraw/zinc/92/51/82/569925182.db2.gz XEZMETGVHLTWND-MRXNPFEDSA-N 0 0 480.608 2.764 40 0 JFABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCCOc1ccccc1 ZINC000223857959 569925315 /nfs/dbraw/zinc/92/53/15/569925315.db2.gz DOEJSBNJYGTIRX-UHFFFAOYSA-N 0 0 486.521 2.987 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223858846 569925354 /nfs/dbraw/zinc/92/53/54/569925354.db2.gz XFAQRBVYYWBELF-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223876066 569925887 /nfs/dbraw/zinc/92/58/87/569925887.db2.gz PSVGIYPRSVXMQL-LIRRHRJNSA-N 0 0 471.000 2.774 40 0 JFABRN CCc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000223879594 569926055 /nfs/dbraw/zinc/92/60/55/569926055.db2.gz AKQZUONNTJKCDB-HOTGVXAUSA-N 0 0 452.598 2.684 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000223880788 569926077 /nfs/dbraw/zinc/92/60/77/569926077.db2.gz BZAAWWGKVHFTIP-OXJNMPFZSA-N 0 0 452.598 2.821 40 0 JFABRN Cc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000223883060 569926227 /nfs/dbraw/zinc/92/62/27/569926227.db2.gz AODXAEJHYIRVQC-KRWDZBQOSA-N 0 0 452.598 2.822 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223892967 569926491 /nfs/dbraw/zinc/92/64/91/569926491.db2.gz RYYGVRKPSWNIGZ-BULFRSBZSA-N 0 0 469.557 2.943 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223979237 569929213 /nfs/dbraw/zinc/92/92/13/569929213.db2.gz HKSDSUJRXPJABU-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223979310 569929269 /nfs/dbraw/zinc/92/92/69/569929269.db2.gz GGLKYYQIPUSHQY-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN COc1cccc(OCCNS(=O)(=O)c2ccc(OC)c(I)c2)c1 ZINC000223983068 569929372 /nfs/dbraw/zinc/92/93/72/569929372.db2.gz WRMBDGAMQXYSPP-UHFFFAOYSA-N 0 0 463.293 2.666 40 0 JFABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(OC)c(C)c1 ZINC000223987763 569929623 /nfs/dbraw/zinc/92/96/23/569929623.db2.gz YCNGSFPRRRJYLB-HXUWFJFHSA-N 0 0 462.568 2.914 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nnc(SCC(C)C)s2)cc1OC ZINC000223990033 569929647 /nfs/dbraw/zinc/92/96/47/569929647.db2.gz XVXYMRVPVRHUGP-UHFFFAOYSA-N 0 0 460.603 2.563 40 0 JFABRN COc1cccc(OCCNC(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 ZINC000224012328 569930440 /nfs/dbraw/zinc/93/04/40/569930440.db2.gz UZQUCFFPEZIXTR-CQSZACIVSA-N 0 0 456.948 2.707 40 0 JFABRN CSc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)cc1C(=O)N1CCOCC1 ZINC000224020395 569930765 /nfs/dbraw/zinc/93/07/65/569930765.db2.gz YENAHIWQYGITDD-UHFFFAOYSA-N 0 0 464.609 2.855 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000224021343 569930779 /nfs/dbraw/zinc/93/07/79/569930779.db2.gz UHWYFOPDDSFMRR-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000224021391 569930785 /nfs/dbraw/zinc/93/07/85/569930785.db2.gz UHWYFOPDDSFMRR-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224021640 569930869 /nfs/dbraw/zinc/93/08/69/569930869.db2.gz FGXYDMZPGMCIMW-IBGZPJMESA-N 0 0 475.611 2.631 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000224024611 569930959 /nfs/dbraw/zinc/93/09/59/569930959.db2.gz FLALEKOUCKSHBF-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000224024746 569931011 /nfs/dbraw/zinc/93/10/11/569931011.db2.gz UTZSLPHGSOEGSY-QGZVFWFLSA-N 0 0 496.029 2.976 40 0 JFABRN COc1ccc(OC)c(N([C@@H](C)C(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000224033719 569931286 /nfs/dbraw/zinc/93/12/86/569931286.db2.gz PMCAVBSPFLDGBS-KRWDZBQOSA-N 0 0 450.557 2.670 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224036264 569931360 /nfs/dbraw/zinc/93/13/60/569931360.db2.gz MRANDAOKCVBAPK-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN COc1cccc(OCCNC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000224047781 569931680 /nfs/dbraw/zinc/93/16/80/569931680.db2.gz HDUUJEUUVMWXRI-AWEZNQCLSA-N 0 0 456.948 2.707 40 0 JFABRN CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000224059945 569931925 /nfs/dbraw/zinc/93/19/25/569931925.db2.gz WPHASZLGGSPIFN-UHFFFAOYSA-N 0 0 476.536 2.671 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224064169 569932123 /nfs/dbraw/zinc/93/21/23/569932123.db2.gz RICKOICXZBZSJK-FQEVSTJZSA-N 0 0 459.612 2.665 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224064771 569932130 /nfs/dbraw/zinc/93/21/30/569932130.db2.gz JQNDKVLKNNGSTP-KRWDZBQOSA-N 0 0 466.003 2.702 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000224067663 569932272 /nfs/dbraw/zinc/93/22/72/569932272.db2.gz YPTIIXYWWLBTDF-HXUWFJFHSA-N 0 0 459.612 2.665 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224072518 569932401 /nfs/dbraw/zinc/93/24/01/569932401.db2.gz ZUDGVPVFWVGEMM-GOSISDBHSA-N 0 0 492.617 2.771 40 0 JFABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224078476 569932574 /nfs/dbraw/zinc/93/25/74/569932574.db2.gz WFNADTLBTQKAPP-QRQLOZEOSA-N 0 0 457.546 2.799 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224088059 569932895 /nfs/dbraw/zinc/93/28/95/569932895.db2.gz GKAJROVHBIVQOA-FQEVSTJZSA-N 0 0 489.638 2.837 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000224087800 569932940 /nfs/dbraw/zinc/93/29/40/569932940.db2.gz YRMQMRFCMPTQDC-FQEVSTJZSA-N 0 0 489.638 2.837 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000224088771 569933000 /nfs/dbraw/zinc/93/30/00/569933000.db2.gz OCPQGNBGCFRKQS-LJQANCHMSA-N 0 0 477.602 2.968 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224108508 569933461 /nfs/dbraw/zinc/93/34/61/569933461.db2.gz HHINGDFUFLYZDF-FQEVSTJZSA-N 0 0 475.611 2.795 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000224122472 569933890 /nfs/dbraw/zinc/93/38/90/569933890.db2.gz NYLFNRXHFKKRCI-FQEVSTJZSA-N 0 0 489.594 2.515 40 0 JFABRN COc1ccc(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c(OC)c1 ZINC000224130263 569934097 /nfs/dbraw/zinc/93/40/97/569934097.db2.gz ZJNNORXMPNTDRP-UHFFFAOYSA-N 0 0 456.948 2.627 40 0 JFABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224135469 569934217 /nfs/dbraw/zinc/93/42/17/569934217.db2.gz COPBAYNMFRQPIT-NRFANRHFSA-N 0 0 483.590 2.697 40 0 JFABRN Cc1cccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224152819 569934658 /nfs/dbraw/zinc/93/46/58/569934658.db2.gz BXQJXZOBAUHWSC-FQEVSTJZSA-N 0 0 459.612 2.951 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224153866 569934697 /nfs/dbraw/zinc/93/46/97/569934697.db2.gz BTWHRNHFTYHZJE-OAQYLSRUSA-N 0 0 463.575 2.844 40 0 JFABRN Cc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)n2)c1 ZINC000224162626 569934981 /nfs/dbraw/zinc/93/49/81/569934981.db2.gz JAFQUSWIULSDIH-ZDUSSCGKSA-N 0 0 450.467 2.794 40 0 JFABRN Cc1ccc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1Cl ZINC000224172661 569935330 /nfs/dbraw/zinc/93/53/30/569935330.db2.gz HCXGDFSSEPMUDB-UHFFFAOYSA-N 0 0 466.003 2.534 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000224186207 569935701 /nfs/dbraw/zinc/93/57/01/569935701.db2.gz ONEOHMPEGMIKBQ-FQEVSTJZSA-N 0 0 489.638 2.959 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)s1 ZINC000224190069 569935819 /nfs/dbraw/zinc/93/58/19/569935819.db2.gz GPQQCAAKFCMEPT-QMMMGPOBSA-N 0 0 499.423 2.903 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224207622 569936508 /nfs/dbraw/zinc/93/65/08/569936508.db2.gz XFBAAPTUHJVLIK-JOCHJYFZSA-N 0 0 474.627 2.551 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224208008 569936516 /nfs/dbraw/zinc/93/65/16/569936516.db2.gz RGXAZKYRYZHXLJ-OAQYLSRUSA-N 0 0 481.565 2.983 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224214124 569936757 /nfs/dbraw/zinc/93/67/57/569936757.db2.gz YBSMBYDVUUMBPR-JOCHJYFZSA-N 0 0 459.612 2.867 40 0 JFABRN COc1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000224219363 569937011 /nfs/dbraw/zinc/93/70/11/569937011.db2.gz WABDIDAFNQDDOQ-UHFFFAOYSA-N 0 0 460.596 2.865 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224254891 569938228 /nfs/dbraw/zinc/93/82/28/569938228.db2.gz FLNGIOUDOOGDAK-JOCHJYFZSA-N 0 0 492.617 2.690 40 0 JFABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224292105 569939584 /nfs/dbraw/zinc/93/95/84/569939584.db2.gz BTIGHELEXCXGKA-QGZVFWFLSA-N 0 0 481.565 2.920 40 0 JFABRN COC(=O)c1ccc(OC)c(NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)c1 ZINC000224303866 569939814 /nfs/dbraw/zinc/93/98/14/569939814.db2.gz VFQCXCJVNUANEP-UHFFFAOYSA-N 0 0 450.513 2.675 40 0 JFABRN O=S(=O)(Cc1c(F)cccc1Cl)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224310923 569940059 /nfs/dbraw/zinc/94/00/59/569940059.db2.gz LGZMTJVBEXOJKA-UHFFFAOYSA-N 0 0 476.979 2.762 40 0 JFABRN CSc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1C(=O)N1CCOCC1 ZINC000224322741 569940531 /nfs/dbraw/zinc/94/05/31/569940531.db2.gz SGDOFNZXKBNTRR-UHFFFAOYSA-N 0 0 471.000 2.892 40 0 JFABRN Cc1ccccc1-c1noc(CNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)n1 ZINC000224322306 569940510 /nfs/dbraw/zinc/94/05/10/569940510.db2.gz ZESHHNMXZBPNOI-UHFFFAOYSA-N 0 0 486.550 2.679 40 0 JFABRN CC[C@@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224330481 569940905 /nfs/dbraw/zinc/94/09/05/569940905.db2.gz XQCHBYWKEGPOPH-AWEZNQCLSA-N 0 0 472.614 2.603 40 0 JFABRN O=C(COc1cccc2c1CCCC2)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224343442 569941291 /nfs/dbraw/zinc/94/12/91/569941291.db2.gz LTAVBBDKGGWQAI-UHFFFAOYSA-N 0 0 458.580 2.924 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224345734 569941316 /nfs/dbraw/zinc/94/13/16/569941316.db2.gz PIURSRYRRSAJQS-LJQANCHMSA-N 0 0 491.997 2.818 40 0 JFABRN COc1cc2c(cc1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N3CCCC3)cc1)CCCC2 ZINC000224346723 569941380 /nfs/dbraw/zinc/94/13/80/569941380.db2.gz AJSKNJIOUZGNDD-UHFFFAOYSA-N 0 0 494.635 2.716 40 0 JFABRN Cc1nccn1Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000224347995 569941455 /nfs/dbraw/zinc/94/14/55/569941455.db2.gz IWEDTKVPYAXFQY-UHFFFAOYSA-N 0 0 468.579 2.833 40 0 JFABRN COc1ccc(O[C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000224386884 569942856 /nfs/dbraw/zinc/94/28/56/569942856.db2.gz VZLAYRHPYTWREZ-GOSISDBHSA-N 0 0 462.568 2.832 40 0 JFABRN COc1cccc(O[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000224399045 569943269 /nfs/dbraw/zinc/94/32/69/569943269.db2.gz AGLDAOULELYFET-SFHVURJKSA-N 0 0 462.568 2.832 40 0 JFABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc(C(=O)OC)c1 ZINC000224404037 569943473 /nfs/dbraw/zinc/94/34/73/569943473.db2.gz NVBNEKYTSYUAJH-UHFFFAOYSA-N 0 0 452.510 2.741 40 0 JFABRN O=C(CCc1ccc2c(c1)OCO2)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224415701 569943913 /nfs/dbraw/zinc/94/39/13/569943913.db2.gz HLWWWHADWWRQCB-UHFFFAOYSA-N 0 0 460.552 2.718 40 0 JFABRN CCCSc1nnc(NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)s1 ZINC000224445115 569944758 /nfs/dbraw/zinc/94/47/58/569944758.db2.gz SMOOBISNNLMPBJ-LLVKDONJSA-N 0 0 460.603 2.851 40 0 JFABRN O=C(CSCc1ccccc1Cl)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224431371 569944339 /nfs/dbraw/zinc/94/43/39/569944339.db2.gz LHFCNUSCYNWUQT-UHFFFAOYSA-N 0 0 485.027 2.789 40 0 JFABRN Cc1cc(O[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(C)c1Cl ZINC000224462127 569945214 /nfs/dbraw/zinc/94/52/14/569945214.db2.gz XBCMFNOOJRWRGK-SFHVURJKSA-N 0 0 497.013 2.940 40 0 JFABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224480280 569945783 /nfs/dbraw/zinc/94/57/83/569945783.db2.gz BGYRPJPUOXGJAG-OAQYLSRUSA-N 0 0 482.986 2.714 40 0 JFABRN COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000224494784 569946227 /nfs/dbraw/zinc/94/62/27/569946227.db2.gz GSCKHUDFWNXNOU-FQEVSTJZSA-N 0 0 489.638 2.693 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224507666 569946667 /nfs/dbraw/zinc/94/66/67/569946667.db2.gz LDZMGNJDCJAHHH-ILWGZMRPSA-N 0 0 453.583 2.560 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224531002 569947436 /nfs/dbraw/zinc/94/74/36/569947436.db2.gz ALYDFOHLANXLHJ-FQEVSTJZSA-N 0 0 479.574 2.544 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224545662 569947900 /nfs/dbraw/zinc/94/79/00/569947900.db2.gz ROYHJXBJMVHGLP-JOCHJYFZSA-N 0 0 475.611 2.568 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000224549001 569948063 /nfs/dbraw/zinc/94/80/63/569948063.db2.gz ZFQNDNJCCCQWRQ-UHFFFAOYSA-N 0 0 485.528 2.620 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(F)cc1 ZINC000224563647 569948556 /nfs/dbraw/zinc/94/85/56/569948556.db2.gz BGJHKDVMXURQNI-UHFFFAOYSA-N 0 0 463.575 2.521 40 0 JFABRN CC[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224567860 569948800 /nfs/dbraw/zinc/94/88/00/569948800.db2.gz OTJSNDRTNXJVIO-QHCPKHFHSA-N 0 0 459.612 2.688 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224569729 569948928 /nfs/dbraw/zinc/94/89/28/569948928.db2.gz KDIXMDGLMSROCU-OAQYLSRUSA-N 0 0 479.574 2.544 40 0 JFABRN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000224576619 569949241 /nfs/dbraw/zinc/94/92/41/569949241.db2.gz ULKWLFRFQXOPGH-UHFFFAOYSA-N 0 0 471.623 2.765 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224584722 569949562 /nfs/dbraw/zinc/94/95/62/569949562.db2.gz XAVLYSGZQVCCFT-QFIPXVFZSA-N 0 0 475.611 2.568 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224587936 569949709 /nfs/dbraw/zinc/94/97/09/569949709.db2.gz QOOSIODWNSJPHP-NRFANRHFSA-N 0 0 496.029 2.913 40 0 JFABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000224607900 569950475 /nfs/dbraw/zinc/95/04/75/569950475.db2.gz OGHIAEVZNLYXEA-HSZRJFAPSA-N 0 0 489.638 2.837 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224615873 569950866 /nfs/dbraw/zinc/95/08/66/569950866.db2.gz DMNDUMGEMXQRED-QHCPKHFHSA-N 0 0 487.622 2.641 40 0 JFABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224626268 569951359 /nfs/dbraw/zinc/95/13/59/569951359.db2.gz DWWKGJXEEPRVDY-NRFANRHFSA-N 0 0 480.030 2.947 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c1 ZINC000224633908 569951661 /nfs/dbraw/zinc/95/16/61/569951661.db2.gz FNYIARWXKAKETN-OAHLLOKOSA-N 0 0 450.557 2.773 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224636373 569951780 /nfs/dbraw/zinc/95/17/80/569951780.db2.gz BTPZNJGVMBTQAG-AHRSYUTCSA-N 0 0 459.974 2.923 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224645433 569952075 /nfs/dbraw/zinc/95/20/75/569952075.db2.gz PHAZEZMOLPXQFE-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000224656065 569952420 /nfs/dbraw/zinc/95/24/20/569952420.db2.gz MIZBEMXGRUQLHZ-NRFANRHFSA-N 0 0 488.654 2.860 40 0 JFABRN CCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)s1 ZINC000224668148 569952938 /nfs/dbraw/zinc/95/29/38/569952938.db2.gz HZJSLJFMTKZXLJ-UHFFFAOYSA-N 0 0 487.361 2.520 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224680390 569953434 /nfs/dbraw/zinc/95/34/34/569953434.db2.gz PEMHELXTAKELGK-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224681593 569953494 /nfs/dbraw/zinc/95/34/94/569953494.db2.gz BZAFZPNRXBZISX-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224688546 569953597 /nfs/dbraw/zinc/95/35/97/569953597.db2.gz IFHIMDCBMMKIQT-IBGZPJMESA-N 0 0 487.622 2.907 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 ZINC000224706720 569954354 /nfs/dbraw/zinc/95/43/54/569954354.db2.gz JYHNHTSHRDQGFP-IBGZPJMESA-N 0 0 474.539 2.615 40 0 JFABRN COc1ccc(N(CCCC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)c(OC)c1 ZINC000224711524 569954491 /nfs/dbraw/zinc/95/44/91/569954491.db2.gz KKALURULDNLLPB-UHFFFAOYSA-N 0 0 454.520 2.584 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)s1 ZINC000224713966 569954497 /nfs/dbraw/zinc/95/44/97/569954497.db2.gz BBWWUIGMXOVOEV-UHFFFAOYSA-N 0 0 492.604 2.946 40 0 JFABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O ZINC000224726108 569954891 /nfs/dbraw/zinc/95/48/91/569954891.db2.gz BTFISFKTWACFHT-SFHVURJKSA-N 0 0 480.030 2.952 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224726973 569954986 /nfs/dbraw/zinc/95/49/86/569954986.db2.gz KIVRENLXRVOYCL-FQEVSTJZSA-N 0 0 474.627 2.551 40 0 JFABRN COc1ccc(N(CCCC(=O)NCCOc2cccc(C)c2)S(C)(=O)=O)cc1OC ZINC000224731197 569955147 /nfs/dbraw/zinc/95/51/47/569955147.db2.gz SQTGOMVUUIWSNK-UHFFFAOYSA-N 0 0 450.557 2.754 40 0 JFABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2cccc(CN3CCOCC3)c2)CC1 ZINC000224736570 569955492 /nfs/dbraw/zinc/95/54/92/569955492.db2.gz XNKJNEKVJJSSJY-UHFFFAOYSA-N 0 0 485.650 2.685 40 0 JFABRN Cc1cccc(N(CCCC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1C ZINC000224748774 569955900 /nfs/dbraw/zinc/95/59/00/569955900.db2.gz FPVQAJPNHIINNH-UHFFFAOYSA-N 0 0 473.639 2.998 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224753908 569956109 /nfs/dbraw/zinc/95/61/09/569956109.db2.gz MXRNCTVZBGIZDW-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN COc1ccc(Br)cc1S(=O)(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000224755217 569956111 /nfs/dbraw/zinc/95/61/11/569956111.db2.gz FORXODLEFAFLSM-UHFFFAOYSA-N 0 0 455.374 2.768 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224754774 569956114 /nfs/dbraw/zinc/95/61/14/569956114.db2.gz BJJOLAWDOBUDBD-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CC(C)n1c2ccc(S(=O)(=O)NCc3cccc(CN4CCOCC4)c3)cc2sc1=O ZINC000224757002 569956255 /nfs/dbraw/zinc/95/62/55/569956255.db2.gz SPBWEQPVHZPCTR-UHFFFAOYSA-N 0 0 461.609 2.955 40 0 JFABRN COc1cccc(OCCNC(=O)CCCN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 ZINC000224764373 569956606 /nfs/dbraw/zinc/95/66/06/569956606.db2.gz IFJSKEBQTLTDOC-UHFFFAOYSA-N 0 0 450.557 2.754 40 0 JFABRN COc1cccc(-c2noc(CNC(=O)CCCN(c3ccccc3F)S(C)(=O)=O)n2)c1 ZINC000224839788 569959887 /nfs/dbraw/zinc/95/98/87/569959887.db2.gz NZLLDGAGBQXLBO-UHFFFAOYSA-N 0 0 462.503 2.747 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)s1 ZINC000224848303 569960299 /nfs/dbraw/zinc/96/02/99/569960299.db2.gz CSMBIIPQVIFLCA-UHFFFAOYSA-N 0 0 478.577 2.881 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224857345 569960442 /nfs/dbraw/zinc/96/04/42/569960442.db2.gz DIMBSUDNMVPDPP-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224858546 569960524 /nfs/dbraw/zinc/96/05/24/569960524.db2.gz TXRUQMDVAIMBEJ-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224858586 569960527 /nfs/dbraw/zinc/96/05/27/569960527.db2.gz TXRUQMDVAIMBEJ-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CN1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2Cl)CC1 ZINC000408595909 569966554 /nfs/dbraw/zinc/96/65/54/569966554.db2.gz WARNQTSIHZBCOH-UHFFFAOYSA-N 0 0 463.987 2.634 40 0 JFABRN COC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)Cc3ccc(OC)cc3)n2C)c1 ZINC000408596184 569966756 /nfs/dbraw/zinc/96/67/56/569966756.db2.gz PSVTZDCJJUFPGM-OAHLLOKOSA-N 0 0 497.577 2.761 40 0 JFABRN COC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(OC)cc3)n2C)c1 ZINC000408596213 569966795 /nfs/dbraw/zinc/96/67/95/569966795.db2.gz PYQITSDMQFXMIN-AWEZNQCLSA-N 0 0 483.550 2.832 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408596522 569966899 /nfs/dbraw/zinc/96/68/99/569966899.db2.gz WMGRXRULRGSEGT-UHFFFAOYSA-N 0 0 455.536 2.919 40 0 JFABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc2)c1 ZINC000408596702 569966918 /nfs/dbraw/zinc/96/69/18/569966918.db2.gz XNRURJCGBHSNLP-UHFFFAOYSA-N 0 0 455.492 2.612 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000408597079 569967143 /nfs/dbraw/zinc/96/71/43/569967143.db2.gz WGLYUNRBUREIKX-FQEVSTJZSA-N 0 0 479.986 2.530 40 0 JFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)c(Cl)c2)cc1 ZINC000408597076 569967191 /nfs/dbraw/zinc/96/71/91/569967191.db2.gz WELQLOIZSGGZHI-UHFFFAOYSA-N 0 0 482.002 2.667 40 0 JFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000408597484 569967371 /nfs/dbraw/zinc/96/73/71/569967371.db2.gz WXGKQPPEKZDCAG-TYOLEZHBSA-N 0 0 471.623 3.000 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000224988153 569967624 /nfs/dbraw/zinc/96/76/24/569967624.db2.gz ACHXIKBDVYCEEL-LJQANCHMSA-N 0 0 489.638 2.967 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1Br ZINC000224988491 569967640 /nfs/dbraw/zinc/96/76/40/569967640.db2.gz VYYDXFOEUOGACK-UHFFFAOYSA-N 0 0 468.373 2.690 40 0 JFABRN CCSc1nnc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)s1 ZINC000224990107 569967644 /nfs/dbraw/zinc/96/76/44/569967644.db2.gz JVSSJVUTOMNJNT-UHFFFAOYSA-N 0 0 498.393 2.659 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224992849 569967890 /nfs/dbraw/zinc/96/78/90/569967890.db2.gz ZKHDXYBHNNGKNC-RBUKOAKNSA-N 0 0 487.622 2.987 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224992809 569967922 /nfs/dbraw/zinc/96/79/22/569967922.db2.gz ZKHDXYBHNNGKNC-RTBURBONSA-N 0 0 487.622 2.987 40 0 JFABRN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000225003309 569968547 /nfs/dbraw/zinc/96/85/47/569968547.db2.gz UOYRIXMVKNTXKD-UHFFFAOYSA-N 0 0 461.559 2.843 40 0 JFABRN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000408600768 569968639 /nfs/dbraw/zinc/96/86/39/569968639.db2.gz CICAWAQWONHFNB-OAHLLOKOSA-N 0 0 471.501 2.730 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2)CC1 ZINC000408600790 569968803 /nfs/dbraw/zinc/96/88/03/569968803.db2.gz CLKNVFQGERLDQC-UHFFFAOYSA-N 0 0 476.551 2.677 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408601584 569969174 /nfs/dbraw/zinc/96/91/74/569969174.db2.gz AOUNPICKYVNUHX-UHFFFAOYSA-N 0 0 489.333 2.971 40 0 JFABRN COc1ccc(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(=O)(=O)c2ccccc2)cc1 ZINC000408601649 569969177 /nfs/dbraw/zinc/96/91/77/569969177.db2.gz BBHZVGDLGLPKED-UHFFFAOYSA-N 0 0 480.546 2.720 40 0 JFABRN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000225014291 569969207 /nfs/dbraw/zinc/96/92/07/569969207.db2.gz OQSPDRJQEDQFQT-UHFFFAOYSA-N 0 0 493.383 2.919 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000225018291 569969549 /nfs/dbraw/zinc/96/95/49/569969549.db2.gz BGJYXDCBSGOEGC-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000225023019 569969780 /nfs/dbraw/zinc/96/97/80/569969780.db2.gz ZYDAPYRSKMQTOA-GOSISDBHSA-N 0 0 458.989 2.632 40 0 JFABRN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)CN(C)CC2 ZINC000408604003 569970279 /nfs/dbraw/zinc/97/02/79/569970279.db2.gz GRHPYZPSAXWKDP-OAHLLOKOSA-N 0 0 479.624 2.933 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000225031917 569970440 /nfs/dbraw/zinc/97/04/40/569970440.db2.gz NQFXTUCMBMUYSW-UHFFFAOYSA-N 0 0 479.356 2.744 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000408605512 569970879 /nfs/dbraw/zinc/97/08/79/569970879.db2.gz JDMQHTSJRVCPNK-OAHLLOKOSA-N 0 0 464.540 2.900 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000408605715 569970892 /nfs/dbraw/zinc/97/08/92/569970892.db2.gz JYFXAPFDZJMADW-JRMCHAMMSA-N 0 0 457.596 2.707 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cc1OC ZINC000408605793 569971013 /nfs/dbraw/zinc/97/10/13/569971013.db2.gz NMKFHLLBVYKRRU-MRXNPFEDSA-N 0 0 450.557 2.517 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000408607949 569971630 /nfs/dbraw/zinc/97/16/30/569971630.db2.gz RDRCTBNVYUFFLH-UHFFFAOYSA-N 0 0 461.309 2.530 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000225049776 569971790 /nfs/dbraw/zinc/97/17/90/569971790.db2.gz YGPAHYCTMHALBQ-HXUWFJFHSA-N 0 0 459.612 2.747 40 0 JFABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl ZINC000408608770 569971846 /nfs/dbraw/zinc/97/18/46/569971846.db2.gz SFUHLOIWICMXIL-UHFFFAOYSA-N 0 0 454.932 2.777 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225052144 569972035 /nfs/dbraw/zinc/97/20/35/569972035.db2.gz MWOIDRHIONTUTH-SFHVURJKSA-N 0 0 463.575 2.578 40 0 JFABRN CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1 ZINC000408612033 569972897 /nfs/dbraw/zinc/97/28/97/569972897.db2.gz XZYXPKZZIMGWEH-UHFFFAOYSA-N 0 0 454.932 2.777 40 0 JFABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225066728 569973185 /nfs/dbraw/zinc/97/31/85/569973185.db2.gz KPAIIBZGAGISNA-GOSISDBHSA-N 0 0 480.030 2.947 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C)CC2)cc1 ZINC000225072468 569973393 /nfs/dbraw/zinc/97/33/93/569973393.db2.gz UKVGMTFONQDAEY-UHFFFAOYSA-N 0 0 461.565 2.648 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225081462 569973735 /nfs/dbraw/zinc/97/37/35/569973735.db2.gz MPTYMFXJGSYJQA-KIZRIRGWSA-N 0 0 453.583 2.968 40 0 JFABRN Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)c1C ZINC000408614317 569973892 /nfs/dbraw/zinc/97/38/92/569973892.db2.gz ATZFOSLEATXJMI-KNQAVFIVSA-N 0 0 465.550 2.969 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225083305 569973881 /nfs/dbraw/zinc/97/38/81/569973881.db2.gz JNYQNJKKRPBLRQ-OAQYLSRUSA-N 0 0 463.575 2.925 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000408614358 569973901 /nfs/dbraw/zinc/97/39/01/569973901.db2.gz BGPGEKHJYMLNMX-GOSISDBHSA-N 0 0 461.584 2.863 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225084990 569973948 /nfs/dbraw/zinc/97/39/48/569973948.db2.gz DWPOZYMPQSYYRA-OALUTQOASA-N 0 0 485.606 2.862 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225087470 569974039 /nfs/dbraw/zinc/97/40/39/569974039.db2.gz ZHBVNISMRMLMPI-HXUWFJFHSA-N 0 0 475.611 2.795 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000225093169 569974498 /nfs/dbraw/zinc/97/44/98/569974498.db2.gz ZUMLWLZTSIFACP-JOCHJYFZSA-N 0 0 492.617 2.772 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)c(C)c1 ZINC000408615335 569974653 /nfs/dbraw/zinc/97/46/53/569974653.db2.gz PAHWVYYJDIVXQV-KNQAVFIVSA-N 0 0 465.550 2.969 40 0 JFABRN COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)C1 ZINC000408615341 569974669 /nfs/dbraw/zinc/97/46/69/569974669.db2.gz PEGUSHRPYGDLKV-LJQANCHMSA-N 0 0 453.539 2.827 40 0 JFABRN CCn1c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)cc2sc1=O ZINC000225093812 569974662 /nfs/dbraw/zinc/97/46/62/569974662.db2.gz WEFCCNUTAHFALA-UHFFFAOYSA-N 0 0 461.565 2.665 40 0 JFABRN CCn1c2ccc(NC(=O)CCCN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2sc1=O ZINC000225097297 569974848 /nfs/dbraw/zinc/97/48/48/569974848.db2.gz QPTMADYZTRLJLD-UHFFFAOYSA-N 0 0 477.564 2.997 40 0 JFABRN CCc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000408615572 569974876 /nfs/dbraw/zinc/97/48/76/569974876.db2.gz QUHHZZZDQMGABS-SIKLNZKXSA-N 0 0 465.550 2.915 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCn4ccnc4)CC3=O)cc2)cc1 ZINC000408615790 569974987 /nfs/dbraw/zinc/97/49/87/569974987.db2.gz SGQYLNXFAWALKF-HXUWFJFHSA-N 0 0 475.549 2.768 40 0 JFABRN C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000408615940 569975160 /nfs/dbraw/zinc/97/51/60/569975160.db2.gz URNZGAHSGJBRLD-CABCVRRESA-N 0 0 479.455 2.573 40 0 JFABRN COc1cccc(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(=O)(=O)c2ccccc2)c1 ZINC000408616112 569975218 /nfs/dbraw/zinc/97/52/18/569975218.db2.gz VYJWLVBUTAPQCT-UHFFFAOYSA-N 0 0 480.546 2.720 40 0 JFABRN COC(=O)c1cc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)ccc1Cl ZINC000225103336 569975195 /nfs/dbraw/zinc/97/51/95/569975195.db2.gz DPNCXGXQZJKWQR-UHFFFAOYSA-N 0 0 496.969 2.727 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000408616331 569975497 /nfs/dbraw/zinc/97/54/97/569975497.db2.gz GGZFFYLQTOOHTH-UHFFFAOYSA-N 0 0 453.948 2.511 40 0 JFABRN CCn1c(=O)sc2cc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)ccc21 ZINC000225108999 569975522 /nfs/dbraw/zinc/97/55/22/569975522.db2.gz RUGWBYYPASHGGU-MRXNPFEDSA-N 0 0 467.956 2.902 40 0 JFABRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000408616477 569975626 /nfs/dbraw/zinc/97/56/26/569975626.db2.gz GSFCSZWQYOFUKP-UHFFFAOYSA-N 0 0 498.399 2.620 40 0 JFABRN CCn1c2ccc(NC(=O)[C@H](C)N(c3cc(OC)ccc3OC)S(C)(=O)=O)cc2sc1=O ZINC000225115125 569975800 /nfs/dbraw/zinc/97/58/00/569975800.db2.gz BGLIDCGCCYQBCE-ZDUSSCGKSA-N 0 0 479.580 2.893 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1N1C(=O)CCC1=O ZINC000225117379 569976041 /nfs/dbraw/zinc/97/60/41/569976041.db2.gz FUMAUUVLSMKHCH-UHFFFAOYSA-N 0 0 470.507 2.528 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225128492 569976940 /nfs/dbraw/zinc/97/69/40/569976940.db2.gz FAOPWYRRKXHFJH-OAQYLSRUSA-N 0 0 485.606 2.863 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc2c(c1)OCO2 ZINC000225134622 569977112 /nfs/dbraw/zinc/97/71/12/569977112.db2.gz JZQSCGSIZWPORS-UHFFFAOYSA-N 0 0 474.579 2.826 40 0 JFABRN CCCSc1nnc(NC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)s1 ZINC000225137663 569977356 /nfs/dbraw/zinc/97/73/56/569977356.db2.gz PFPZXRVUKKZYFV-NSHDSACASA-N 0 0 460.603 2.851 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc(C(=O)OC)c1 ZINC000408620520 569977823 /nfs/dbraw/zinc/97/78/23/569977823.db2.gz PANMPANBYDDDTN-CYBMUJFWSA-N 0 0 468.487 2.949 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408621580 569978374 /nfs/dbraw/zinc/97/83/74/569978374.db2.gz LOSYOFNZELLLKL-YOCVDRLZSA-N 0 0 478.014 2.873 40 0 JFABRN CC[C@@H](NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000225153842 569978581 /nfs/dbraw/zinc/97/85/81/569978581.db2.gz IDVJKOKHMAAGSU-OAQYLSRUSA-N 0 0 482.624 2.912 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225156170 569978725 /nfs/dbraw/zinc/97/87/25/569978725.db2.gz NFWCVODNVJIOIN-BDTNDASRSA-N 0 0 453.583 2.970 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000408625250 569980080 /nfs/dbraw/zinc/98/00/80/569980080.db2.gz RPOSOQZKCIMRBE-MRXNPFEDSA-N 0 0 451.976 2.754 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1OC ZINC000225181482 569980656 /nfs/dbraw/zinc/98/06/56/569980656.db2.gz SZJANBLCMURMDQ-UHFFFAOYSA-N 0 0 479.580 2.920 40 0 JFABRN CCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 ZINC000408626362 569980700 /nfs/dbraw/zinc/98/07/00/569980700.db2.gz WTDVIGHKPYMXKL-XLIONFOSSA-N 0 0 489.594 2.787 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccc(C)cc2C)cc1 ZINC000408626330 569980714 /nfs/dbraw/zinc/98/07/14/569980714.db2.gz WOCDCAVBZJRVDC-UHFFFAOYSA-N 0 0 459.612 2.646 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225187655 569981200 /nfs/dbraw/zinc/98/12/00/569981200.db2.gz JETUCZPTWVYRCG-LJQANCHMSA-N 0 0 492.617 2.772 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225192514 569981559 /nfs/dbraw/zinc/98/15/59/569981559.db2.gz CXUNOSFTNYNODH-YSIASYRMSA-N 0 0 457.546 2.800 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000408629656 569981769 /nfs/dbraw/zinc/98/17/69/569981769.db2.gz FSJMUFXVEXPIMY-UHFFFAOYSA-N 0 0 474.894 2.688 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000408629736 569981771 /nfs/dbraw/zinc/98/17/71/569981771.db2.gz HCFQCRIIYBGSEO-AWEZNQCLSA-N 0 0 450.513 2.592 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000225199581 569981954 /nfs/dbraw/zinc/98/19/54/569981954.db2.gz SRPSAMIGZVXLCR-AWEZNQCLSA-N 0 0 472.394 2.923 40 0 JFABRN CCOc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408630575 569982276 /nfs/dbraw/zinc/98/22/76/569982276.db2.gz VERHJRJQNXMTDW-UHFFFAOYSA-N 0 0 496.029 2.773 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2cccc(Cl)c2C)cc1 ZINC000408630581 569982321 /nfs/dbraw/zinc/98/23/21/569982321.db2.gz VFSUPQPAAAPQDD-UHFFFAOYSA-N 0 0 466.003 2.601 40 0 JFABRN COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000225221775 569983540 /nfs/dbraw/zinc/98/35/40/569983540.db2.gz UXESQRQRFGXXNC-UHFFFAOYSA-N 0 0 495.623 2.665 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000225225358 569983891 /nfs/dbraw/zinc/98/38/91/569983891.db2.gz XIUQCEXKGUTVHH-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN COc1ccc(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(=O)(=O)c2ccccc2)cc1 ZINC000225239870 569984868 /nfs/dbraw/zinc/98/48/68/569984868.db2.gz YATZEOOQKNBMMR-HXUWFJFHSA-N 0 0 468.531 2.847 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225239773 569984879 /nfs/dbraw/zinc/98/48/79/569984879.db2.gz YYKSUYIRFHFLOX-IAGOWNOFSA-N 0 0 489.569 2.692 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225239841 569984881 /nfs/dbraw/zinc/98/48/81/569984881.db2.gz YYKSUYIRFHFLOX-SJORKVTESA-N 0 0 489.569 2.692 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225239808 569984885 /nfs/dbraw/zinc/98/48/85/569984885.db2.gz YYKSUYIRFHFLOX-DLBZAZTESA-N 0 0 489.569 2.692 40 0 JFABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC[C@@H]1COc2ccccc2O1 ZINC000225249708 569985676 /nfs/dbraw/zinc/98/56/76/569985676.db2.gz AOWPCRSNRKADKX-LJQANCHMSA-N 0 0 456.495 2.977 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c(Cl)c1 ZINC000408635371 569985727 /nfs/dbraw/zinc/98/57/27/569985727.db2.gz AEYOQGOMJUGAOO-INIZCTEOSA-N 0 0 454.976 2.781 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000225264564 569986857 /nfs/dbraw/zinc/98/68/57/569986857.db2.gz KDXMMLRUDFNRTD-INIZCTEOSA-N 0 0 482.961 2.977 40 0 JFABRN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]CCC[N@@H+]3CCc4ccccc4C3)s2)cc1 ZINC000225266488 569986951 /nfs/dbraw/zinc/98/69/51/569986951.db2.gz PXBOELWZBOIVIG-UHFFFAOYSA-N 0 0 471.608 2.826 40 0 JFABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000225271827 569987347 /nfs/dbraw/zinc/98/73/47/569987347.db2.gz RYMBQQRZRSPHQO-QGZVFWFLSA-N 0 0 462.593 2.765 40 0 JFABRN CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000225276099 569987699 /nfs/dbraw/zinc/98/76/99/569987699.db2.gz AQAGGMRHDDFDPW-RHSMWYFYSA-N 0 0 456.923 2.980 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cc1OC ZINC000225283478 569988195 /nfs/dbraw/zinc/98/81/95/569988195.db2.gz RQJTXBHYVKBSMS-SFHVURJKSA-N 0 0 476.595 2.723 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000408644993 569991082 /nfs/dbraw/zinc/99/10/82/569991082.db2.gz JJNBWVFTVNMWLQ-UHFFFAOYSA-N 0 0 455.488 2.972 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)cc1 ZINC000408650089 569993582 /nfs/dbraw/zinc/99/35/82/569993582.db2.gz AMZVXBKBQTXJBM-INIZCTEOSA-N 0 0 488.338 2.741 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225371955 569993573 /nfs/dbraw/zinc/99/35/73/569993573.db2.gz QNLUATUXUOKLTI-YHDSQAASSA-N 0 0 469.582 2.668 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225371876 569993609 /nfs/dbraw/zinc/99/36/09/569993609.db2.gz NYBRHLCZPJHKDW-WOJBJXKFSA-N 0 0 489.638 2.956 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000225373040 569993626 /nfs/dbraw/zinc/99/36/26/569993626.db2.gz LVXPPBKNHGHROG-JOCHJYFZSA-N 0 0 493.601 2.934 40 0 JFABRN CCOc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OCC ZINC000225376563 569993800 /nfs/dbraw/zinc/99/38/00/569993800.db2.gz SBANOZXXDHOXCS-INIZCTEOSA-N 0 0 480.583 2.999 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225382608 569994197 /nfs/dbraw/zinc/99/41/97/569994197.db2.gz QILYEYYTHZVUJL-HSZRJFAPSA-N 0 0 489.638 2.958 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1 ZINC000408651280 569994259 /nfs/dbraw/zinc/99/42/59/569994259.db2.gz DBDWSKWDHCNYJZ-HNNXBMFYSA-N 0 0 463.412 2.689 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000225388388 569994483 /nfs/dbraw/zinc/99/44/83/569994483.db2.gz VTHUECZCVUKKDN-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000408651806 569994485 /nfs/dbraw/zinc/99/44/85/569994485.db2.gz FEJGEWMCBSJAFI-ZFWWWQNUSA-N 0 0 478.332 2.907 40 0 JFABRN CCOc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC)S(C)(=O)=O ZINC000225389439 569994554 /nfs/dbraw/zinc/99/45/54/569994554.db2.gz CJFIAPDLOYRQMX-INIZCTEOSA-N 0 0 482.002 2.668 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000408652275 569994792 /nfs/dbraw/zinc/99/47/92/569994792.db2.gz GDWDGAGWOPZNBH-QGZVFWFLSA-N 0 0 467.522 2.668 40 0 JFABRN Cc1ccc(C)c(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(=O)(=O)N(C)C)c1 ZINC000225403029 569995129 /nfs/dbraw/zinc/99/51/29/569995129.db2.gz HDYLBFLEJIBJGY-UHFFFAOYSA-N 0 0 459.612 2.781 40 0 JFABRN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)cc2)c1 ZINC000408653866 569995851 /nfs/dbraw/zinc/99/58/51/569995851.db2.gz FMNANEJYUNVLIH-VEUCTLLHSA-N 0 0 450.443 2.838 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)Nc1ccc(Br)cc1 ZINC000408654049 569995930 /nfs/dbraw/zinc/99/59/30/569995930.db2.gz JGSNRIZQDQRNSM-CYBMUJFWSA-N 0 0 494.729 2.778 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000225423628 569996099 /nfs/dbraw/zinc/99/60/99/569996099.db2.gz YBNJRWIKXHGIQC-HNNXBMFYSA-N 0 0 469.966 2.717 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 ZINC000408654643 569996271 /nfs/dbraw/zinc/99/62/71/569996271.db2.gz KSHANNNFZDOBPR-CQSZACIVSA-N 0 0 464.305 2.977 40 0 JFABRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)ccc1NS(C)(=O)=O ZINC000225432247 569996524 /nfs/dbraw/zinc/99/65/24/569996524.db2.gz MEANDRFYLAGZCQ-PMACEKPBSA-N 0 0 457.581 2.977 40 0 JFABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225432513 569996550 /nfs/dbraw/zinc/99/65/50/569996550.db2.gz IEPKXWTZLHSJHL-QFIPXVFZSA-N 0 0 459.612 2.829 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000408655203 569996685 /nfs/dbraw/zinc/99/66/85/569996685.db2.gz LLTZUJWDEMDATI-AWEZNQCLSA-N 0 0 475.295 2.771 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)CC1=O ZINC000408655148 569996687 /nfs/dbraw/zinc/99/66/87/569996687.db2.gz KZNJKMOXQBQMKN-OAHLLOKOSA-N 0 0 488.338 2.741 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 ZINC000408655222 569996798 /nfs/dbraw/zinc/99/67/98/569996798.db2.gz LQIIBGUAUMFWLX-CQSZACIVSA-N 0 0 464.305 2.977 40 0 JFABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225447878 569997284 /nfs/dbraw/zinc/99/72/84/569997284.db2.gz HKTGIHDAAVPYNK-QFIPXVFZSA-N 0 0 499.633 2.987 40 0 JFABRN CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1 ZINC000408656757 569997822 /nfs/dbraw/zinc/99/78/22/569997822.db2.gz OFUKYVCLCKDZHY-INIZCTEOSA-N 0 0 488.338 2.687 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000225463756 569997914 /nfs/dbraw/zinc/99/79/14/569997914.db2.gz PKZNONINUGCRGS-OAHLLOKOSA-N 0 0 486.366 2.989 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)c1 ZINC000225475089 569998489 /nfs/dbraw/zinc/99/84/89/569998489.db2.gz QIHWBTKRFGKIKQ-UHFFFAOYSA-N 0 0 470.551 2.805 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)c(OC)c1 ZINC000408657932 569998620 /nfs/dbraw/zinc/99/86/20/569998620.db2.gz QDNUTVHIIWBYHZ-KRWDZBQOSA-N 0 0 484.505 2.804 40 0 JFABRN COc1ccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000225483353 569998939 /nfs/dbraw/zinc/99/89/39/569998939.db2.gz FHWVXMLHROGMKY-UHFFFAOYSA-N 0 0 470.551 2.771 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSCc2ccc(C)cc2)cc1OC ZINC000225483830 569999050 /nfs/dbraw/zinc/99/90/50/569999050.db2.gz ZQGAPQDUPCWVOC-UHFFFAOYSA-N 0 0 452.598 2.682 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)COc1ccccc1OC ZINC000225483934 569999062 /nfs/dbraw/zinc/99/90/62/569999062.db2.gz BPCKRRKKPOSARO-QFBILLFUSA-N 0 0 450.557 2.832 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225485764 569999175 /nfs/dbraw/zinc/99/91/75/569999175.db2.gz FQQBFFNZGGFSGV-WIYYLYMNSA-N 0 0 485.606 2.943 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C ZINC000225487862 569999238 /nfs/dbraw/zinc/99/92/38/569999238.db2.gz UNWVNLJTSZOFOU-FQEVSTJZSA-N 0 0 474.627 2.550 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000225490341 569999417 /nfs/dbraw/zinc/99/94/17/569999417.db2.gz JBVGYHNYRKULSD-OAHLLOKOSA-N 0 0 486.366 2.989 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225490121 569999424 /nfs/dbraw/zinc/99/94/24/569999424.db2.gz DQTJJQNEXUWVCJ-INIZCTEOSA-N 0 0 496.427 2.541 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCc4ccccc43)CC2)cc1 ZINC000225498927 570000120 /nfs/dbraw/zinc/00/01/20/570000120.db2.gz UTKOXBHSOCUHGP-UHFFFAOYSA-N 0 0 457.596 2.665 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O ZINC000408660642 570000447 /nfs/dbraw/zinc/00/04/47/570000447.db2.gz UXCCVZFQMBREFT-AWEZNQCLSA-N 0 0 463.412 2.689 40 0 JFABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225504354 570000646 /nfs/dbraw/zinc/00/06/46/570000646.db2.gz HAZSXLDNUKLNCA-XMMPIXPASA-N 0 0 479.602 2.839 40 0 JFABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000408661014 570000694 /nfs/dbraw/zinc/00/06/94/570000694.db2.gz CJKPWSYPTJUUIQ-UHFFFAOYSA-N 0 0 470.478 2.941 40 0 JFABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)c1 ZINC000225510571 570001092 /nfs/dbraw/zinc/00/10/92/570001092.db2.gz TUNTXEMTBVNAOS-MRXNPFEDSA-N 0 0 458.540 2.867 40 0 JFABRN O=C(NCc1ccc(CN2CCCC2=O)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225511790 570001201 /nfs/dbraw/zinc/00/12/01/570001201.db2.gz URUHNVKSJXSTBT-NRFANRHFSA-N 0 0 455.580 2.526 40 0 JFABRN COc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4cc(C)on4)CC3=O)cc2)cc1 ZINC000408661914 570001351 /nfs/dbraw/zinc/00/13/51/570001351.db2.gz WLETYGQEJNFCHU-INIZCTEOSA-N 0 0 465.462 3.319 40 0 JFABRN CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000225513168 570001385 /nfs/dbraw/zinc/00/13/85/570001385.db2.gz GGYITFAGQPKATP-WIYYLYMNSA-N 0 0 464.609 2.758 40 0 JFABRN CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000408662677 570001889 /nfs/dbraw/zinc/00/18/89/570001889.db2.gz XKHUXJXYJCBFAM-HNNXBMFYSA-N 0 0 492.315 2.871 40 0 JFABRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000225523149 570002269 /nfs/dbraw/zinc/00/22/69/570002269.db2.gz GUGWDWLROYUDNK-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000408664028 570002852 /nfs/dbraw/zinc/00/28/52/570002852.db2.gz ITEUUCAMGVZLQU-UHFFFAOYSA-N 0 0 458.467 2.781 40 0 JFABRN COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000408664556 570003333 /nfs/dbraw/zinc/00/33/33/570003333.db2.gz ZVFHSNMLLNOJGS-GFCCVEGCSA-N 0 0 480.304 2.677 40 0 JFABRN COc1ccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)cc1 ZINC000225542192 570004209 /nfs/dbraw/zinc/00/42/09/570004209.db2.gz DYNDEQPDGBOQDM-KRWDZBQOSA-N 0 0 488.541 2.944 40 0 JFABRN COc1ccccc1N1CCN(S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)CC1 ZINC000225548766 570004861 /nfs/dbraw/zinc/00/48/61/570004861.db2.gz VGVLKHJUQKNNLT-UHFFFAOYSA-N 0 0 473.580 2.618 40 0 JFABRN CCCC[C@H](C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000408667293 570005240 /nfs/dbraw/zinc/00/52/40/570005240.db2.gz SJQLKQJPWOEHQJ-HXUWFJFHSA-N 0 0 451.479 2.982 40 0 JFABRN COc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000225559889 570005763 /nfs/dbraw/zinc/00/57/63/570005763.db2.gz KRZZZJLHMHRHMI-KRWDZBQOSA-N 0 0 478.567 2.596 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225569517 570006495 /nfs/dbraw/zinc/00/64/95/570006495.db2.gz JBCFVSXERPXGTQ-AHRSYUTCSA-N 0 0 459.974 2.923 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000408670207 570006925 /nfs/dbraw/zinc/00/69/25/570006925.db2.gz WWHAGOWRUYFVPI-PMACEKPBSA-N 0 0 462.458 2.724 40 0 JFABRN COC(=O)c1cc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000225577243 570006973 /nfs/dbraw/zinc/00/69/73/570006973.db2.gz SMNUQJBZSLHTGS-UHFFFAOYSA-N 0 0 484.477 2.723 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000225581587 570007343 /nfs/dbraw/zinc/00/73/43/570007343.db2.gz QPUZOAZZAZRRBU-SFHVURJKSA-N 0 0 493.601 2.932 40 0 JFABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)c(C)c2)cc1 ZINC000408674870 570009697 /nfs/dbraw/zinc/00/96/97/570009697.db2.gz LEGOLDRUUPAXMY-UHFFFAOYSA-N 0 0 472.567 2.976 40 0 JFABRN COc1ccc(N(CCCC(=O)N(C)Cc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000225624021 570010418 /nfs/dbraw/zinc/01/04/18/570010418.db2.gz BUZBATANIJGEQY-UHFFFAOYSA-N 0 0 450.557 2.917 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccc(F)c(F)c1 ZINC000408678197 570011274 /nfs/dbraw/zinc/01/12/74/570011274.db2.gz DCIBHRNRYDIQSS-UHFFFAOYSA-N 0 0 466.247 2.974 40 0 JFABRN Cc1cccc(N(CCCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1 ZINC000408678883 570011483 /nfs/dbraw/zinc/01/14/83/570011483.db2.gz JFAVYINCSGMSIX-UHFFFAOYSA-N 0 0 453.586 2.576 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)s2)cc1 ZINC000225647294 570012261 /nfs/dbraw/zinc/01/22/61/570012261.db2.gz JFQZZYGLMXVXEB-UHFFFAOYSA-N 0 0 487.607 2.711 40 0 JFABRN COc1cc(CNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc(OC)c1OC ZINC000225654914 570012607 /nfs/dbraw/zinc/01/26/07/570012607.db2.gz PZKCANBFRNILBG-UHFFFAOYSA-N 0 0 454.520 2.714 40 0 JFABRN CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)CC1 ZINC000408681855 570012811 /nfs/dbraw/zinc/01/28/11/570012811.db2.gz URWMHEUUFHFPNF-UHFFFAOYSA-N 0 0 454.614 2.611 40 0 JFABRN CC(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2nnc(C)s2)C3=O)c1 ZINC000408683554 570013247 /nfs/dbraw/zinc/01/32/47/570013247.db2.gz IIXHTWIFWCXQSD-UHFFFAOYSA-N 0 0 464.459 2.645 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)c1ccccc1OC ZINC000225665382 570013432 /nfs/dbraw/zinc/01/34/32/570013432.db2.gz MGQVSQQCOFHRQM-QGZVFWFLSA-N 0 0 462.568 2.535 40 0 JFABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225689336 570014785 /nfs/dbraw/zinc/01/47/85/570014785.db2.gz DJMRTFIZXUMDPS-YSIASYRMSA-N 0 0 457.546 2.656 40 0 JFABRN CCc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000225689332 570014808 /nfs/dbraw/zinc/01/48/08/570014808.db2.gz VSSJCJCQBYVKRV-FQEVSTJZSA-N 0 0 473.639 2.999 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)cc1 ZINC000225691843 570015019 /nfs/dbraw/zinc/01/50/19/570015019.db2.gz PWJGYUWABIYZHA-UHFFFAOYSA-N 0 0 469.610 2.914 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225691228 570015055 /nfs/dbraw/zinc/01/50/55/570015055.db2.gz ZHJDRLJNQYXPHJ-KRWDZBQOSA-N 0 0 481.565 2.715 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225696419 570015598 /nfs/dbraw/zinc/01/55/98/570015598.db2.gz JNPZJGDNUBYNJI-SFHVURJKSA-N 0 0 480.030 2.945 40 0 JFABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 ZINC000408693106 570015713 /nfs/dbraw/zinc/01/57/13/570015713.db2.gz HJEUIOJEKJQYDS-UHFFFAOYSA-N 0 0 476.551 2.925 40 0 JFABRN COc1ccc(S(=O)(=O)NCCSCc2ccc(C)cc2)cc1C(=O)N1CCOCC1 ZINC000408693259 570015950 /nfs/dbraw/zinc/01/59/50/570015950.db2.gz LOTRNNSHGHVXET-UHFFFAOYSA-N 0 0 464.609 2.688 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225706559 570016257 /nfs/dbraw/zinc/01/62/57/570016257.db2.gz CLJHCHLCOXAYCY-QFIPXVFZSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000225711015 570016609 /nfs/dbraw/zinc/01/66/09/570016609.db2.gz VWIPFWQEPAVERV-FQEVSTJZSA-N 0 0 489.594 2.513 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225711606 570016724 /nfs/dbraw/zinc/01/67/24/570016724.db2.gz QZNOITBJDAFLPK-JOCHJYFZSA-N 0 0 474.627 2.631 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)c(F)c1 ZINC000408694427 570016878 /nfs/dbraw/zinc/01/68/78/570016878.db2.gz GSMNDPKFIHYVEE-UHFFFAOYSA-N 0 0 487.550 2.544 40 0 JFABRN CCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000408698080 570019704 /nfs/dbraw/zinc/01/97/04/570019704.db2.gz NJVQDALYVZNEJT-UHFFFAOYSA-N 0 0 461.559 2.971 40 0 JFABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000408700606 570021163 /nfs/dbraw/zinc/02/11/63/570021163.db2.gz ITOFDRRAHOXTQA-UHFFFAOYSA-N 0 0 459.568 2.957 40 0 JFABRN O=c1sc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc2n1Cc1ccccc1Cl ZINC000225805542 570022706 /nfs/dbraw/zinc/02/27/06/570022706.db2.gz WFFTUKDWZZZBQM-UHFFFAOYSA-N 0 0 482.027 2.765 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCSCc1ccccc1C)c1ccc2c(c1)OCCO2 ZINC000408703650 570023335 /nfs/dbraw/zinc/02/33/35/570023335.db2.gz VTVHAFGVHWMHKZ-UHFFFAOYSA-N 0 0 464.609 2.972 40 0 JFABRN Cc1cccc(N2CCN(C(=O)CCCN(c3ccc4c(c3)OCO4)S(C)(=O)=O)CC2)c1C ZINC000408703705 570023486 /nfs/dbraw/zinc/02/34/86/570023486.db2.gz GJSHGZGFDNXVQS-UHFFFAOYSA-N 0 0 473.595 2.927 40 0 JFABRN Cc1cccc(CSCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000408704110 570023717 /nfs/dbraw/zinc/02/37/17/570023717.db2.gz JQPPZHHIBOIZIE-KRWDZBQOSA-N 0 0 464.609 2.970 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc2c(c1)OCCO2 ZINC000225827005 570023723 /nfs/dbraw/zinc/02/37/23/570023723.db2.gz PWIGKEKJXQUSSN-UHFFFAOYSA-N 0 0 487.578 2.879 40 0 JFABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704524 570024034 /nfs/dbraw/zinc/02/40/34/570024034.db2.gz OZYDYZZWUBVTRW-HOTGVXAUSA-N 0 0 475.567 2.779 40 0 JFABRN CCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000408704980 570024318 /nfs/dbraw/zinc/02/43/18/570024318.db2.gz WPMUUHYQPNOTLX-UHFFFAOYSA-N 0 0 461.540 2.740 40 0 JFABRN C[C@@H]1CCC[N@H+](CCC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)C1 ZINC000225851163 570024782 /nfs/dbraw/zinc/02/47/82/570024782.db2.gz SNFFFTKVWKZXNY-CYBMUJFWSA-N 0 0 458.009 2.844 40 0 JFABRN Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)c1 ZINC000408706091 570025011 /nfs/dbraw/zinc/02/50/11/570025011.db2.gz VCPGKIMJBUJAMR-UHFFFAOYSA-N 0 0 473.595 2.961 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000408713519 570025467 /nfs/dbraw/zinc/02/54/67/570025467.db2.gz FPYPBNCAGNPXIC-QGZVFWFLSA-N 0 0 479.549 2.723 40 0 JFABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1cccc(Br)c1 ZINC000408713333 570025509 /nfs/dbraw/zinc/02/55/09/570025509.db2.gz TXOKPIYVCHFBGY-UHFFFAOYSA-N 0 0 480.384 2.879 40 0 JFABRN CCCN1c2ccc(C(=O)N3CCN(c4ccccc4OC)CC3)cc2S(=O)(=O)N=C1C ZINC000225866711 570025671 /nfs/dbraw/zinc/02/56/71/570025671.db2.gz XMIMHLWYMWZOSS-UHFFFAOYSA-N 0 0 456.568 2.995 40 0 JFABRN COc1ccccc1N(CCCC(=O)NCc1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O ZINC000225868163 570025772 /nfs/dbraw/zinc/02/57/72/570025772.db2.gz OSVPWAHCOFXTBH-UHFFFAOYSA-N 0 0 466.556 2.584 40 0 JFABRN C[C@H]1C[C@H](C)CN(c2cc(N3CCCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225903526 570026540 /nfs/dbraw/zinc/02/65/40/570026540.db2.gz MKCASGNJAVRCMU-OALUTQOASA-N 0 0 461.680 2.568 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)Cn2ccc(=O)c3cc(Br)ccc32)c2ccccc2O1 ZINC000225919203 570027575 /nfs/dbraw/zinc/02/75/75/570027575.db2.gz AYVIDAFKYDFTAF-IBGZPJMESA-N 0 0 457.280 2.731 40 0 JFABRN COc1cc(CN(C)C(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc(OC)c1OC ZINC000225927824 570028093 /nfs/dbraw/zinc/02/80/93/570028093.db2.gz JHAOTLOOKLBXJX-UHFFFAOYSA-N 0 0 450.557 2.608 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc4c(c3)OCO4)sc2=N[C@@H]1c1ccc(OC)cc1 ZINC000408730354 570029081 /nfs/dbraw/zinc/02/90/81/570029081.db2.gz FVBZMKFFFJDRNA-ZRELAVNMSA-N 0 0 478.526 2.645 40 0 JFABRN COc1ccccc1N1CCN(C(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)CC1 ZINC000225952293 570029489 /nfs/dbraw/zinc/02/94/89/570029489.db2.gz NKXXBBAVUGTOER-GOSISDBHSA-N 0 0 451.976 2.678 40 0 JFABRN CN(c1ccc(CC(=O)NCCSc2nc[nH]n2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225985680 570031049 /nfs/dbraw/zinc/03/10/49/570031049.db2.gz MFORHOHLIZHZDR-UHFFFAOYSA-N 0 0 465.988 2.734 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3O)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408739211 570031407 /nfs/dbraw/zinc/03/14/07/570031407.db2.gz UEKMHDZSVBDBEA-ZRELAVNMSA-N 0 0 480.542 2.608 40 0 JFABRN Cc1ccc(CN(CC(=O)NCCSc2nc[nH]n2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000226014562 570032921 /nfs/dbraw/zinc/03/29/21/570032921.db2.gz CFNIFFGGLYISAZ-UHFFFAOYSA-N 0 0 459.597 2.521 40 0 JFABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc[nH]n2)Cc2cccc(C)c2)cc1 ZINC000226031365 570033526 /nfs/dbraw/zinc/03/35/26/570033526.db2.gz KEXYYIRAERJFMY-UHFFFAOYSA-N 0 0 459.597 2.521 40 0 JFABRN NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1 ZINC000408749995 570033881 /nfs/dbraw/zinc/03/38/81/570033881.db2.gz VYLOCAAWZFEZTE-UHFFFAOYSA-N 0 0 456.549 2.598 40 0 JFABRN CCOC(=O)C1(c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(OC)c(C)c3)cc2)CC1 ZINC000226045166 570033972 /nfs/dbraw/zinc/03/39/72/570033972.db2.gz QUNFPMAWVWDTIU-UHFFFAOYSA-N 0 0 460.552 2.858 40 0 JFABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)ccc1OC ZINC000226045972 570034028 /nfs/dbraw/zinc/03/40/28/570034028.db2.gz QVVNSHKKMOFOTH-UHFFFAOYSA-N 0 0 456.524 2.695 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000226046707 570034138 /nfs/dbraw/zinc/03/41/38/570034138.db2.gz RRRFJAPYYWOMQW-UHFFFAOYSA-N 0 0 489.623 2.790 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCCSc1n[nH]c(-c2ccccc2)n1)Cc1ccc(Cl)cc1 ZINC000226049997 570034334 /nfs/dbraw/zinc/03/43/34/570034334.db2.gz GGGRCQGDIJOPAS-UHFFFAOYSA-N 0 0 480.015 2.795 40 0 JFABRN COc1cc(CN(C)C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc(OC)c1OC ZINC000226049774 570034378 /nfs/dbraw/zinc/03/43/78/570034378.db2.gz ARXDWYQZAZZNAN-UHFFFAOYSA-N 0 0 470.975 2.786 40 0 JFABRN COc1cccc(N(CC(=O)Nc2ccc(CC(N)=O)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000226059046 570034970 /nfs/dbraw/zinc/03/49/70/570034970.db2.gz SGQZKDTXOWFGTN-UHFFFAOYSA-N 0 0 497.573 2.874 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 ZINC000226063560 570035239 /nfs/dbraw/zinc/03/52/39/570035239.db2.gz GCSRCIXIQKOEFV-UHFFFAOYSA-N 0 0 494.422 2.610 40 0 JFABRN CCN(CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)S(=O)(=O)c1cc(F)ccc1OC ZINC000226069901 570035510 /nfs/dbraw/zinc/03/55/10/570035510.db2.gz SVGRJAYQCKSJSL-UHFFFAOYSA-N 0 0 477.558 2.649 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000226072985 570035901 /nfs/dbraw/zinc/03/59/01/570035901.db2.gz IMNVAZXWSAJYHL-UHFFFAOYSA-N 0 0 486.015 2.596 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)NC4CCCC4)cc3)c2)n1 ZINC000226086404 570036719 /nfs/dbraw/zinc/03/67/19/570036719.db2.gz OJMZUJQCIJYOGL-UHFFFAOYSA-N 0 0 482.562 2.984 40 0 JFABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1 ZINC000226086178 570036740 /nfs/dbraw/zinc/03/67/40/570036740.db2.gz UMVGJMSHKXNUDF-UHFFFAOYSA-N 0 0 470.551 2.841 40 0 JFABRN COc1ccc(C(=O)N2CCC(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 ZINC000226095291 570037245 /nfs/dbraw/zinc/03/72/45/570037245.db2.gz HQHDOVBFQPACHB-UHFFFAOYSA-N 0 0 499.633 2.691 40 0 JFABRN COc1cccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 ZINC000226347318 570037594 /nfs/dbraw/zinc/03/75/94/570037594.db2.gz XIFSVJBSGJOGLU-UBZUXSMWSA-N 0 0 459.498 2.840 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408776244 570040321 /nfs/dbraw/zinc/04/03/21/570040321.db2.gz XLYOPPUNOWVRML-UBXANZILSA-N 0 0 452.507 2.946 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCc2ccccc21)OCCO3 ZINC000229904975 570042123 /nfs/dbraw/zinc/04/21/23/570042123.db2.gz KOLPYRUOCBEJDL-HOYKHHGWSA-N 0 0 486.532 2.617 40 0 JFABRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(O)cc2)N[C@]3(CCSC)C(=O)OC)cc1 ZINC000229995864 570043123 /nfs/dbraw/zinc/04/31/23/570043123.db2.gz CJNJMFNRNBHDNJ-UKDJSQQHSA-N 0 0 484.574 2.906 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCO4)c3=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238901741 570047710 /nfs/dbraw/zinc/04/77/10/570047710.db2.gz MJRFCSQUAHKKFK-VWMVETNPSA-N 0 0 626.567 2.693 40 0 JFABRN CCOC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3cccs3)[C@@H]2C1=O ZINC000238924111 570048000 /nfs/dbraw/zinc/04/80/00/570048000.db2.gz RBCZJILDZWSGIA-GFNFQOLWSA-N 0 0 490.628 2.924 40 0 JFABRN CCc1c(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O ZINC000238937394 570048076 /nfs/dbraw/zinc/04/80/76/570048076.db2.gz VBEJBERDNOPXME-YJWURLRRSA-N 0 0 630.599 2.571 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408823531 570052206 /nfs/dbraw/zinc/05/22/06/570052206.db2.gz FWCGQLJVKHKRNN-FIWMFUAISA-N 0 0 493.585 2.536 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408827069 570052524 /nfs/dbraw/zinc/05/25/24/570052524.db2.gz UNQNHNXYKFSJGM-VOSMRYOYSA-N 0 0 476.554 2.893 40 0 JFABRN COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000245229613 570056050 /nfs/dbraw/zinc/05/60/50/570056050.db2.gz BYCNFUAPZHZIRN-QSGNWFJVSA-N 0 0 486.480 2.640 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408857460 570056802 /nfs/dbraw/zinc/05/68/02/570056802.db2.gz GVJGODLNGSTCDF-WVWKGNOCSA-N 0 0 465.575 2.762 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408862224 570057435 /nfs/dbraw/zinc/05/74/35/570057435.db2.gz XSJJQFKLDMZNJB-PRWBYUBPSA-N 0 0 453.539 2.893 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408908366 570071553 /nfs/dbraw/zinc/07/15/53/570071553.db2.gz RQDTTWZRXAZVCC-FGGAIWKESA-N 0 0 494.569 2.911 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408910909 570072555 /nfs/dbraw/zinc/07/25/55/570072555.db2.gz MEVDRMPBTKNUGO-ZPBCLNFZSA-N 0 0 468.531 2.799 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408927632 570078901 /nfs/dbraw/zinc/07/89/01/570078901.db2.gz QWKXWSBNUWFCHG-VZIOXZNFSA-N 0 0 492.553 2.926 40 0 JFABRN CC(=O)OC[C@@H]1O[C@H](Sc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000252430690 570080383 /nfs/dbraw/zinc/08/03/83/570080383.db2.gz FDRTYADXAMZRMR-WKWVNEEDSA-N 0 0 474.915 2.515 40 0 JFABRN O=C(O[C@H](CO)[C@H](OC(=O)c1ccccc1)[C@H](O)[C@H]1COC2(CCCCC2)O1)c1ccccc1 ZINC000252429385 570080393 /nfs/dbraw/zinc/08/03/93/570080393.db2.gz JJEBFUXIGCYODM-ODAXIHTASA-N 0 0 470.518 2.867 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(F)cc4)c(=O)n32)cc1OCC ZINC000408932666 570080556 /nfs/dbraw/zinc/08/05/56/570080556.db2.gz DIIRWCHRPVRNPK-ZAAFRKLLSA-N 0 0 482.533 2.955 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccs4)c(=O)n32)cc1OCC ZINC000408933093 570080685 /nfs/dbraw/zinc/08/06/85/570080685.db2.gz HKCNZIDHZMHHNK-CBXNMNPBSA-N 0 0 470.572 2.877 40 0 JFABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc(OC)c4)c(=O)n32)cc1OCC ZINC000408933188 570080721 /nfs/dbraw/zinc/08/07/21/570080721.db2.gz IFNYWRNKSWSRMH-ZWULCIMOSA-N 0 0 494.569 2.824 40 0 JFABRN O=C(CNC(=O)CNC(=O)OCc1ccccc1)NCC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000409000471 570096177 /nfs/dbraw/zinc/09/61/77/570096177.db2.gz WTHMMPNTQIFVEN-UHFFFAOYSA-N 0 0 488.500 2.683 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](C(C)C)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500372 570101609 /nfs/dbraw/zinc/10/16/09/570101609.db2.gz ICVLWVLRTVCBHR-OFNKIYASSA-N 0 0 498.584 2.877 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500440 570102041 /nfs/dbraw/zinc/10/20/41/570102041.db2.gz OFKDRUABGYQCHL-CTNGQTDRSA-N 0 0 468.558 2.931 40 0 JFABRN COc1ccccc1N(CC(=O)Nc1ccccc1C(N)=O)S(=O)(=O)c1ccc(C)cc1 ZINC000409028455 570105311 /nfs/dbraw/zinc/10/53/11/570105311.db2.gz MSVGQTCOHNXWQU-UHFFFAOYSA-N 0 0 453.520 2.937 40 0 JFABRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccccc1OC ZINC000254607549 570106063 /nfs/dbraw/zinc/10/60/63/570106063.db2.gz VTVZUVQMRDUGPF-QFIPXVFZSA-N 0 0 478.526 2.536 40 0 JFABRN O=C(COc1cccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)c1)Nc1ccc(F)cc1 ZINC000256055684 570107029 /nfs/dbraw/zinc/10/70/29/570107029.db2.gz PPOMPBPTWSARHB-MOSHPQCFSA-N 0 0 473.489 2.917 40 0 JFABRN CC(=O)[C@]1(O)CC[C@@]2(O)[C@@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@@]12O ZINC000256464463 570107160 /nfs/dbraw/zinc/10/71/60/570107160.db2.gz VWLXIXALPNYWFH-PDIZQQLSSA-N 0 0 490.637 2.984 40 0 JFABRN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000257199120 570107491 /nfs/dbraw/zinc/10/74/91/570107491.db2.gz TZKUNWORDUJJNT-CUAXAMRHSA-N 0 0 480.524 2.609 40 0 JFABRN O=C(Cc1cccnc1)N1CCC[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257206266 570109735 /nfs/dbraw/zinc/10/97/35/570109735.db2.gz BCQQBTQYQYCHME-RUZDIDTESA-N 0 0 455.530 2.700 40 0 JFABRN CN1CCN(C(=O)c2cccc(Cn3ccnc3)c2)C[C@@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000257207704 570110151 /nfs/dbraw/zinc/11/01/51/570110151.db2.gz BIWKMEFGARETJR-RUZDIDTESA-N 0 0 472.593 2.927 40 0 JFABRN Cn1cc(-c2cccc(C(=O)N3CCC[C@]4(CN(Cc5ccccc5)C(=O)CO4)CC3)n2)cn1 ZINC000257207951 570110261 /nfs/dbraw/zinc/11/02/61/570110261.db2.gz BKBIHWSOVORVID-AREMUKBSSA-N 0 0 459.550 2.906 40 0 JFABRN CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3ccc(NC(C)=O)cc3Cl)CCN2C)c1 ZINC000257211458 570111420 /nfs/dbraw/zinc/11/14/20/570111420.db2.gz BYXQRAZMBRNOOF-NRFANRHFSA-N 0 0 457.962 2.585 40 0 JFABRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(OC)c(OC)cc1OC ZINC000409056856 570112093 /nfs/dbraw/zinc/11/20/93/570112093.db2.gz OPQXCBOWDLBUNP-YVLHZVERSA-N 0 0 472.519 2.869 40 0 JFABRN Cc1nc(CC(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cs1 ZINC000257216463 570113067 /nfs/dbraw/zinc/11/30/67/570113067.db2.gz CUPKRODKBAIJQI-AVRDEDQJSA-N 0 0 474.602 2.593 40 0 JFABRN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)CNC(=O)c3cncc(O)c3)C2)o1 ZINC000257220031 570114135 /nfs/dbraw/zinc/11/41/35/570114135.db2.gz DJFUQTHEULPWLH-QGZVFWFLSA-N 0 0 450.495 2.511 40 0 JFABRN CCc1nccn1CC(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257223059 570114998 /nfs/dbraw/zinc/11/49/98/570114998.db2.gz DVSXTORVPCCMMP-VWLOTQADSA-N 0 0 472.561 2.521 40 0 JFABRN O=C(CN1C(=O)COCC1=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257223594 570115126 /nfs/dbraw/zinc/11/51/26/570115126.db2.gz DYASRPIAXWVNOI-MRXNPFEDSA-N 0 0 450.417 2.535 40 0 JFABRN CN1CCN(C(=O)C[C@H]2CN(C(=O)CC3(O)CCCCC3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257223747 570115246 /nfs/dbraw/zinc/11/52/46/570115246.db2.gz DYQUNKDVZGNYPS-GMAHTHKFSA-N 0 0 457.615 2.532 40 0 JFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000257224874 570115550 /nfs/dbraw/zinc/11/55/50/570115550.db2.gz FDUJTCRWUPIJSO-INIZCTEOSA-N 0 0 484.988 2.899 40 0 JFABRN CN(C)C(=O)Cn1cc(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)ccc1=O ZINC000257224842 570115631 /nfs/dbraw/zinc/11/56/31/570115631.db2.gz FDQQFOZHNBQXJS-FQEVSTJZSA-N 0 0 494.983 2.997 40 0 JFABRN CCn1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCN(C)CC3)C2)c(C)n1 ZINC000257229237 570116829 /nfs/dbraw/zinc/11/68/29/570116829.db2.gz FXHSTNKKAFUOFI-CVDCTZTESA-N 0 0 488.032 2.939 40 0 JFABRN Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)c4cccc(Cn5ccnc5)c4)C3)c2n1 ZINC000257231885 570117496 /nfs/dbraw/zinc/11/74/96/570117496.db2.gz GINZBMYFJMSZDJ-SANMLTNESA-N 0 0 456.550 2.896 40 0 JFABRN Cc1cc(NC(=O)CN2CCCC[C@@H]2c2nc(C)cc(Oc3ccc(C(N)=O)cc3)n2)nn1C ZINC000257235107 570118544 /nfs/dbraw/zinc/11/85/44/570118544.db2.gz GWLKHJCPZPFLLS-LJQANCHMSA-N 0 0 463.542 2.884 40 0 JFABRN Cc1ncoc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1 ZINC000257239090 570119934 /nfs/dbraw/zinc/11/99/34/570119934.db2.gz HNXPEYYEBSIOCK-LUKWVAJMSA-N 0 0 451.498 2.860 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@@H]3CCN(C(=O)Cc4ccccc4)C3)n2)n[nH]1 ZINC000257239262 570120035 /nfs/dbraw/zinc/12/00/35/570120035.db2.gz HOPPCJUCGXYSLI-NRFANRHFSA-N 0 0 474.613 2.637 40 0 JFABRN Cc1cnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCNc3nc(C)cc(C)n3)CC2)cn1 ZINC000257242362 570120784 /nfs/dbraw/zinc/12/07/84/570120784.db2.gz ICDDQKDZIORRQH-JOCHJYFZSA-N 0 0 465.602 2.927 40 0 JFABRN O=C(Cc1ccccn1)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257244351 570121298 /nfs/dbraw/zinc/12/12/98/570121298.db2.gz IKXZICBQMJMORH-KAHCWPQKSA-N 0 0 461.537 2.887 40 0 JFABRN Cc1cncc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)c1 ZINC000257247540 570122412 /nfs/dbraw/zinc/12/24/12/570122412.db2.gz IZKYDRIVHZBHEN-REWPJTCUSA-N 0 0 454.546 2.603 40 0 JFABRN NC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257248058 570122569 /nfs/dbraw/zinc/12/25/69/570122569.db2.gz JBVIOMWRAHQJSG-UGSOOPFHSA-N 0 0 471.348 2.922 40 0 JFABRN CC(C)n1nccc1CN1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257249020 570122913 /nfs/dbraw/zinc/12/29/13/570122913.db2.gz JGIWURPITYMALP-VWLOTQADSA-N 0 0 490.048 2.932 40 0 JFABRN Cc1ccnn1CCC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257251994 570123748 /nfs/dbraw/zinc/12/37/48/570123748.db2.gz JTDWIMFMURQIQE-UGKGYDQZSA-N 0 0 474.989 2.780 40 0 JFABRN O=C(c1cccc(OCCN2CCCC2=O)c1)N1CCOC[C@@H](Cc2cccc3n[nH]cc32)C1 ZINC000257254009 570124417 /nfs/dbraw/zinc/12/44/17/570124417.db2.gz KBFMLVFDDRHDKG-IBGZPJMESA-N 0 0 462.550 2.895 40 0 JFABRN COc1ccc([C@@H]2CN(C(=O)c3ccccc3NC(=O)c3ccn(C)n3)CCN2C(C)=O)cc1 ZINC000257256434 570125104 /nfs/dbraw/zinc/12/51/04/570125104.db2.gz KLLSRYRLLWGHGV-QHCPKHFHSA-N 0 0 461.522 2.727 40 0 JFABRN CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(OC)c(OCc3ccccn3)c2)C1 ZINC000257257745 570125533 /nfs/dbraw/zinc/12/55/33/570125533.db2.gz KQWZRPISZJFUDV-SANMLTNESA-N 0 0 460.534 2.984 40 0 JFABRN CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(OCc3ccccn3)c(OC)c2)C1 ZINC000257263006 570127377 /nfs/dbraw/zinc/12/73/77/570127377.db2.gz LNYITWIMUJZFPY-AREMUKBSSA-N 0 0 460.534 2.984 40 0 JFABRN COc1cc(OC)c(S(=O)(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)cc1Cl ZINC000257266094 570128389 /nfs/dbraw/zinc/12/83/89/570128389.db2.gz MBNVMCQICGOKIC-GUYCJALGSA-N 0 0 486.949 2.830 40 0 JFABRN CC1CC[NH+](CC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(N)=O)C2)CC1 ZINC000257267012 570128567 /nfs/dbraw/zinc/12/85/67/570128567.db2.gz MFPBGZXJRKDYGH-LPHOPBHVSA-N 0 0 452.393 2.652 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409102918 570129115 /nfs/dbraw/zinc/12/91/15/570129115.db2.gz WRPUVZNUYWYJQF-RQLGBQGVSA-N 0 0 492.601 2.516 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@H]3CCN(C(=O)c4ccccc4)C3)n2)n[nH]1 ZINC000257269612 570129527 /nfs/dbraw/zinc/12/95/27/570129527.db2.gz MQRHILUEQSIISE-LJQANCHMSA-N 0 0 460.586 2.708 40 0 JFABRN O=C(Cc1cccnc1)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257275297 570131168 /nfs/dbraw/zinc/13/11/68/570131168.db2.gz NOTBQWAULXZSRN-KAHCWPQKSA-N 0 0 461.537 2.887 40 0 JFABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(C)CCN(C(=O)c4ccccc4)CC3)CCN2C)c1 ZINC000257277366 570131858 /nfs/dbraw/zinc/13/18/58/570131858.db2.gz NXSABPHAOXWARI-QHCPKHFHSA-N 0 0 462.594 2.804 40 0 JFABRN COc1ccc(C2(C(=O)N3CCC[C@@](C(=O)N(C)C)(c4ccccn4)C3)CCOCC2)cc1 ZINC000257277887 570132040 /nfs/dbraw/zinc/13/20/40/570132040.db2.gz NZXHDHFSCWBXCZ-SANMLTNESA-N 0 0 451.567 2.787 40 0 JFABRN CC(=O)NC1(CC(=O)N(C)C[C@@]2(O)CCCN(c3ccnc4ccncc43)C2)CCCCC1 ZINC000257278606 570132247 /nfs/dbraw/zinc/13/22/47/570132247.db2.gz OCXJKNPMQWALCD-VWLOTQADSA-N 0 0 453.587 2.649 40 0 JFABRN COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)sc2c1CCCC2 ZINC000409112386 570132623 /nfs/dbraw/zinc/13/26/23/570132623.db2.gz CJNMNWDGUDMQFS-UHFFFAOYSA-N 0 0 482.580 2.835 40 0 JFABRN COCCC(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCN(C)CC2)CC1 ZINC000257284715 570134044 /nfs/dbraw/zinc/13/40/44/570134044.db2.gz PDYHPATXRWHSJQ-UHFFFAOYSA-N 0 0 451.995 2.528 40 0 JFABRN CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)[C@@]3(C)CC(c4ccccc4OC)=NO3)CC2)n1 ZINC000257289640 570135378 /nfs/dbraw/zinc/13/53/78/570135378.db2.gz PZOKHCVGQFNGTB-RUZDIDTESA-N 0 0 465.554 2.617 40 0 JFABRN Cc1cc(Nc2cc([C@@H]3CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CCO3)nc(C)n2)n[nH]1 ZINC000257292293 570136262 /nfs/dbraw/zinc/13/62/62/570136262.db2.gz QKVRUHRVSGDMOD-INIZCTEOSA-N 0 0 459.551 2.763 40 0 JFABRN CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)C1(c2cc(C)cc(C)c2)CCOCC1 ZINC000257300880 570138784 /nfs/dbraw/zinc/13/87/84/570138784.db2.gz RWAVRGFHLOLJOH-RUZDIDTESA-N 0 0 463.622 2.853 40 0 JFABRN O=C(CCCn1c2ccccc2nc1C(F)(F)F)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257302084 570139080 /nfs/dbraw/zinc/13/90/80/570139080.db2.gz SBJXGABCSHUTFC-YVWKXTFCSA-N 0 0 454.493 2.566 40 0 JFABRN O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21)N1CCCCC1 ZINC000409128892 570139344 /nfs/dbraw/zinc/13/93/44/570139344.db2.gz JHDANQGBLNTNHK-STZFKDTASA-N 0 0 496.589 2.549 40 0 JFABRN Cn1c2ccc(NC(=O)CN3CC[C@@]4(CCCO4)[C@H](OCc4ccccc4)C3)cc2n(C)c1=O ZINC000257304303 570139634 /nfs/dbraw/zinc/13/96/34/570139634.db2.gz SKZBFHRUHAFSRA-BVAGGSTKSA-N 0 0 464.566 2.656 40 0 JFABRN COCCCNC(=O)Cn1cc(C=C2SC(=O)NC2=O)c2cc(Br)ccc21 ZINC000409129820 570139654 /nfs/dbraw/zinc/13/96/54/570139654.db2.gz HGMWFBCJEHNPEJ-CHHVJCJISA-N 0 0 452.330 2.880 40 0 JFABRN CCc1noc(C)c1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257304325 570139744 /nfs/dbraw/zinc/13/97/44/570139744.db2.gz SLBKUFKASKWFLT-AVRDEDQJSA-N 0 0 472.561 2.758 40 0 JFABRN CC(=O)N1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C[C@@H]1c1ccccc1 ZINC000257306851 570140437 /nfs/dbraw/zinc/14/04/37/570140437.db2.gz SWGYGXBDULZRKX-XMMPIXPASA-N 0 0 484.622 2.705 40 0 JFABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1 ZINC000409132212 570140638 /nfs/dbraw/zinc/14/06/38/570140638.db2.gz PBGHCIYIALMEER-CQSZACIVSA-N 0 0 460.328 2.922 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O ZINC000409132851 570140878 /nfs/dbraw/zinc/14/08/78/570140878.db2.gz LXVXSLOGYVZUTL-UHFFFAOYSA-N 0 0 471.535 2.931 40 0 JFABRN COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccn(C)n2)CCN1C(C)=O ZINC000257311298 570141872 /nfs/dbraw/zinc/14/18/72/570141872.db2.gz UIVBJWDDOWXHFN-QFIPXVFZSA-N 0 0 461.522 2.727 40 0 JFABRN COc1ccccc1[C@H]1CN(C(=O)c2ccccc2OCCN2CCCC2=O)CCN1C(C)=O ZINC000257312769 570142273 /nfs/dbraw/zinc/14/22/73/570142273.db2.gz UPLINEUEQTYLOP-JOCHJYFZSA-N 0 0 465.550 2.742 40 0 JFABRN COC(C)(C)C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCN(C)CC2)CC1 ZINC000257313682 570142613 /nfs/dbraw/zinc/14/26/13/570142613.db2.gz UTPXEPDNHONXDW-UHFFFAOYSA-N 0 0 466.022 2.917 40 0 JFABRN O=C(c1cccc(OCCN2CCOCC2)c1)N1CCC[C@H](Cc2ccc3nccn3n2)CC1 ZINC000257315325 570143099 /nfs/dbraw/zinc/14/30/99/570143099.db2.gz VAVMKHSERMEIOP-NRFANRHFSA-N 0 0 463.582 2.925 40 0 JFABRN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)n1 ZINC000257320645 570144665 /nfs/dbraw/zinc/14/46/65/570144665.db2.gz VXSIJADQJADVJQ-IBGZPJMESA-N 0 0 450.543 2.836 40 0 JFABRN CN1CCN(C(=O)CC2(COc3ccccc3)CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000257321000 570144838 /nfs/dbraw/zinc/14/48/38/570144838.db2.gz VZQZCXRSXVUANM-UHFFFAOYSA-N 0 0 489.613 2.840 40 0 JFABRN CCc1nccn1CC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257322178 570145123 /nfs/dbraw/zinc/14/51/23/570145123.db2.gz WEWOSIBBYBHMIJ-UGKGYDQZSA-N 0 0 488.032 2.559 40 0 JFABRN CNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000257323649 570145712 /nfs/dbraw/zinc/14/57/12/570145712.db2.gz WLGJDGKKYNBDEI-XMMPIXPASA-N 0 0 467.570 2.986 40 0 JFABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1)c1ccccc1 ZINC000409143518 570145717 /nfs/dbraw/zinc/14/57/17/570145717.db2.gz HAGTVFYBRSVYFL-MRXNPFEDSA-N 0 0 453.520 2.843 40 0 JFABRN COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)CNC(=O)c4cncc(O)c4)C3)o2)c1 ZINC000257326855 570146534 /nfs/dbraw/zinc/14/65/34/570146534.db2.gz WYXNDQIPPBDAJS-QGZVFWFLSA-N 0 0 450.495 2.511 40 0 JFABRN Cc1cnn(CC(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)c1 ZINC000257326916 570146629 /nfs/dbraw/zinc/14/66/29/570146629.db2.gz WZCSRQQGBSBQQO-XMMPIXPASA-N 0 0 474.989 2.782 40 0 JFABRN O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000409149634 570148774 /nfs/dbraw/zinc/14/87/74/570148774.db2.gz LRGHIJHJBDDWDJ-UHFFFAOYSA-N 0 0 472.792 2.730 40 0 JFABRN CCn1cc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)c(C)n1 ZINC000257332008 570148070 /nfs/dbraw/zinc/14/80/70/570148070.db2.gz XVIUTFXYGRMAQK-VWLOTQADSA-N 0 0 490.048 2.679 40 0 JFABRN CCN1C[C@H](c2cc(NCCCO)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O ZINC000257333644 570148541 /nfs/dbraw/zinc/14/85/41/570148541.db2.gz YCLISNLDZOUDPX-CQSZACIVSA-N 0 0 456.934 2.765 40 0 JFABRN NC(=O)C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CC[C@@H]1Oc1cccc(Br)c1 ZINC000257334218 570148908 /nfs/dbraw/zinc/14/89/08/570148908.db2.gz YFBLRGNJAAPYMX-YOEHRIQHSA-N 0 0 461.312 2.963 40 0 JFABRN Cn1ccc(C(=O)Nc2ccccc2C(=O)N2CC[C@@]3(CN(CCc4ccccc4)C(=O)O3)C2)n1 ZINC000257337699 570149761 /nfs/dbraw/zinc/14/97/61/570149761.db2.gz YUACVSRWKGPLDJ-SANMLTNESA-N 0 0 473.533 2.952 40 0 JFABRN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1)c1cscn1 ZINC000257338325 570149937 /nfs/dbraw/zinc/14/99/37/570149937.db2.gz YWXIWYYEKBNVCV-AZOUXBGGSA-N 0 0 482.581 2.784 40 0 JFABRN CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000409154070 570150012 /nfs/dbraw/zinc/15/00/12/570150012.db2.gz NQFLGDACNIEWHU-UHFFFAOYSA-N 0 0 453.524 2.745 40 0 JFABRN CC(=O)N[C@]12CN(CC(=O)Nc3cccc(F)c3C)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257341476 570150852 /nfs/dbraw/zinc/15/08/52/570150852.db2.gz ZKMYWPJBLIYJDZ-LPPUWEFUSA-N 0 0 466.557 2.873 40 0 JFABRN Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1C ZINC000409158500 570151303 /nfs/dbraw/zinc/15/13/03/570151303.db2.gz SZRIDUKJSPTSIR-UHFFFAOYSA-N 0 0 498.634 2.824 40 0 JFABRN CNC(=O)Cc1nc2ccccc2n1CC(=O)N1CCC[C@H](c2cccc(Nc3cc(C)[nH]n3)n2)C1 ZINC000257343686 570151453 /nfs/dbraw/zinc/15/14/53/570151453.db2.gz ZUAKGVYEJURCPQ-SFHVURJKSA-N 0 0 486.580 2.901 40 0 JFABRN CCc1cc(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)on1 ZINC000257344272 570151639 /nfs/dbraw/zinc/15/16/39/570151639.db2.gz ZWJHMOSNGRHFGF-XMMPIXPASA-N 0 0 459.518 2.926 40 0 JFABRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ncc(C)s3)n2C)cc1 ZINC000409160472 570151895 /nfs/dbraw/zinc/15/18/95/570151895.db2.gz QCZKCLHXTMLDSE-CQSZACIVSA-N 0 0 474.612 2.957 40 0 JFABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)cc1 ZINC000409160620 570151914 /nfs/dbraw/zinc/15/19/14/570151914.db2.gz UZUQPACWQULEAK-WOJGMQOQSA-N 0 0 455.492 2.624 40 0 JFABRN O=C(CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O)Nc1ccc(F)cc1 ZINC000409161832 570152199 /nfs/dbraw/zinc/15/21/99/570152199.db2.gz ZMGLTGPVIKGVQE-DEDYPNTBSA-N 0 0 499.520 2.738 40 0 JFABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1 ZINC000409168618 570154188 /nfs/dbraw/zinc/15/41/88/570154188.db2.gz NAGXLIAXAJKLDD-KGENOOAVSA-N 0 0 495.557 2.908 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC)S(C)(=O)=O ZINC000260574390 570154601 /nfs/dbraw/zinc/15/46/01/570154601.db2.gz XAZJCTHYENLCTI-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c2ccccc2O1 ZINC000260728408 570155358 /nfs/dbraw/zinc/15/53/58/570155358.db2.gz AWCRHEUYGHANGY-UGKGYDQZSA-N 0 0 486.590 2.980 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260727253 570155434 /nfs/dbraw/zinc/15/54/34/570155434.db2.gz IUOSRGAPKKTTNS-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(CC(N)=O)cc2)C1 ZINC000260728510 570155514 /nfs/dbraw/zinc/15/55/14/570155514.db2.gz BWIKZSJRXOKUNP-INIZCTEOSA-N 0 0 479.986 2.806 40 0 JFABRN CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260730583 570155537 /nfs/dbraw/zinc/15/55/37/570155537.db2.gz JXLJDUSCAQGTQX-HXUWFJFHSA-N 0 0 489.638 2.836 40 0 JFABRN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)C1 ZINC000260743072 570156038 /nfs/dbraw/zinc/15/60/38/570156038.db2.gz NOUHTTRHTHQVFY-IBGZPJMESA-N 0 0 471.579 2.898 40 0 JFABRN CCN(CC(=O)N1C[C@H](C(=O)OC)Oc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000260749099 570156342 /nfs/dbraw/zinc/15/63/42/570156342.db2.gz SSJVOKAVSUMAMP-QGZVFWFLSA-N 0 0 487.361 2.971 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc2O1 ZINC000260746440 570156387 /nfs/dbraw/zinc/15/63/87/570156387.db2.gz RXIHPFZLGOYRJC-MGPUTAFESA-N 0 0 478.954 2.708 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 ZINC000260749190 570156434 /nfs/dbraw/zinc/15/64/34/570156434.db2.gz UEHSKRHVWYGANB-AEFFLSMTSA-N 0 0 462.568 2.991 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)cc1Cl ZINC000260752342 570156579 /nfs/dbraw/zinc/15/65/79/570156579.db2.gz YERQEMUZGVEDAJ-HXUWFJFHSA-N 0 0 496.969 2.717 40 0 JFABRN CCN(CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000260753533 570156629 /nfs/dbraw/zinc/15/66/29/570156629.db2.gz ZKSAEAHCAQKRNJ-XMMPIXPASA-N 0 0 493.585 2.808 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)COc1ccccc1OC ZINC000260760856 570156869 /nfs/dbraw/zinc/15/68/69/570156869.db2.gz BPCKRRKKPOSARO-APWZRJJASA-N 0 0 450.557 2.832 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260761202 570156916 /nfs/dbraw/zinc/15/69/16/570156916.db2.gz SQVMXXBQKCUVBI-LJQANCHMSA-N 0 0 487.622 2.640 40 0 JFABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 ZINC000260762118 570157016 /nfs/dbraw/zinc/15/70/16/570157016.db2.gz GOBFAXVJPWYXJQ-CABCVRRESA-N 0 0 466.556 2.753 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3cc(OC)ccc3OC)C2)cc1 ZINC000260764550 570157212 /nfs/dbraw/zinc/15/72/12/570157212.db2.gz JYDWTMVTFPACQL-IAGOWNOFSA-N 0 0 462.568 2.991 40 0 JFABRN C[C@H]1Cc2ccccc2N1CCCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000260772766 570157676 /nfs/dbraw/zinc/15/76/76/570157676.db2.gz WJXUCFZVBQXEOZ-IBGZPJMESA-N 0 0 487.622 2.962 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260774442 570157818 /nfs/dbraw/zinc/15/78/18/570157818.db2.gz XHDKVXQYGXVMLU-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2nnc(SCc3ccccc3)s2)Oc2ccccc21 ZINC000260793177 570158132 /nfs/dbraw/zinc/15/81/32/570158132.db2.gz HAIMGWDONUUDHC-MRXNPFEDSA-N 0 0 462.578 2.996 40 0 JFABRN O=C(CN1C(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2C1=O)OCC(=O)c1ccccc1 ZINC000409179113 570158228 /nfs/dbraw/zinc/15/82/28/570158228.db2.gz NEAZRKMOCBQDEC-UHFFFAOYSA-N 0 0 485.448 2.748 40 0 JFABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000260810908 570158881 /nfs/dbraw/zinc/15/88/81/570158881.db2.gz LCIYUEMICKDWBY-MRXNPFEDSA-N 0 0 477.608 2.577 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)C2)cc1 ZINC000260830691 570159574 /nfs/dbraw/zinc/15/95/74/570159574.db2.gz GVHOSGKBJSGYEN-AEFFLSMTSA-N 0 0 460.552 2.745 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC ZINC000260840522 570160062 /nfs/dbraw/zinc/16/00/62/570160062.db2.gz WCVSBMMUPNYQAX-CABCVRRESA-N 0 0 464.540 2.507 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2OC)S(C)(=O)=O)cc1Cl ZINC000260846309 570160612 /nfs/dbraw/zinc/16/06/12/570160612.db2.gz LNIDESQICWWIQI-CQSZACIVSA-N 0 0 456.948 2.707 40 0 JFABRN CCOc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260858311 570161014 /nfs/dbraw/zinc/16/10/14/570161014.db2.gz NIWIRZFVBCYSHY-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000260880343 570161422 /nfs/dbraw/zinc/16/14/22/570161422.db2.gz IGNGMRRLDSAMIY-MOPGFXCFSA-N 0 0 492.617 2.771 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 ZINC000260890306 570161799 /nfs/dbraw/zinc/16/17/99/570161799.db2.gz BUGFWBYSMVIMDA-IBGZPJMESA-N 0 0 491.635 2.819 40 0 JFABRN Cc1ccc(N([C@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1C ZINC000260892637 570162084 /nfs/dbraw/zinc/16/20/84/570162084.db2.gz BFKLPZMSHOYCSJ-HXUWFJFHSA-N 0 0 459.612 2.607 40 0 JFABRN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC[C@H]3COc4ccccc4O3)Oc3ccccc32)cc1 ZINC000260893013 570162191 /nfs/dbraw/zinc/16/21/91/570162191.db2.gz FZSRWSHUSAOEAF-MHECFPHRSA-N 0 0 496.541 2.608 40 0 JFABRN COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260899498 570162581 /nfs/dbraw/zinc/16/25/81/570162581.db2.gz ODSDPGSYPKLLJB-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN CCOc1c(I)cc(/C=C2/NC(=O)N(C)C2=O)cc1I ZINC000409193293 570162637 /nfs/dbraw/zinc/16/26/37/570162637.db2.gz IMFDSEBWOPXAOK-UXBLZVDNSA-N 0 0 498.058 2.817 40 0 JFABRN CC[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000260914959 570163754 /nfs/dbraw/zinc/16/37/54/570163754.db2.gz BZAAWWGKVHFTIP-UZLBHIALSA-N 0 0 452.598 2.821 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)cc2)cc1OC ZINC000409196882 570163836 /nfs/dbraw/zinc/16/38/36/570163836.db2.gz ZREFOGPNWYKJCQ-UHFFFAOYSA-N 0 0 450.557 2.518 40 0 JFABRN CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000260926609 570164666 /nfs/dbraw/zinc/16/46/66/570164666.db2.gz JCEGVOJDZJMXDR-HZPDHXFCSA-N 0 0 468.597 2.521 40 0 JFABRN CCOc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 ZINC000260926614 570164722 /nfs/dbraw/zinc/16/47/22/570164722.db2.gz JCEGVOJDZJMXDR-JKSUJKDBSA-N 0 0 468.597 2.521 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000260927893 570164877 /nfs/dbraw/zinc/16/48/77/570164877.db2.gz HFODCJLYDDNVNB-OALUTQOASA-N 0 0 492.617 2.771 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000260927890 570164903 /nfs/dbraw/zinc/16/49/03/570164903.db2.gz HFODCJLYDDNVNB-MOPGFXCFSA-N 0 0 492.617 2.771 40 0 JFABRN CC[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000260928695 570164924 /nfs/dbraw/zinc/16/49/24/570164924.db2.gz KMTIDZQTIPPVHQ-KUHUBIRLSA-N 0 0 456.561 2.651 40 0 JFABRN CC[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000260935055 570165209 /nfs/dbraw/zinc/16/52/09/570165209.db2.gz OKZYPVVXGZNBIR-KDOFPFPSSA-N 0 0 456.561 2.651 40 0 JFABRN CC[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000260935057 570165210 /nfs/dbraw/zinc/16/52/10/570165210.db2.gz OKZYPVVXGZNBIR-RDTXWAMCSA-N 0 0 456.561 2.651 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1OC ZINC000409201166 570165398 /nfs/dbraw/zinc/16/53/98/570165398.db2.gz OCGDZGKYSCRYRZ-UHFFFAOYSA-N 0 0 498.601 2.963 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000260939148 570165473 /nfs/dbraw/zinc/16/54/73/570165473.db2.gz QKRNSLQWGXZAQB-QRWLVFNGSA-N 0 0 468.597 2.521 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000260951003 570166073 /nfs/dbraw/zinc/16/60/73/570166073.db2.gz JUCMDWZQHHWXKN-GOSISDBHSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000261009222 570166761 /nfs/dbraw/zinc/16/67/61/570166761.db2.gz TWGBLJQPFLRTCH-UXHICEINSA-N 0 0 489.638 2.956 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000261123320 570167165 /nfs/dbraw/zinc/16/71/65/570167165.db2.gz ZOAOBMPJYFIUHK-ROUUACIJSA-N 0 0 493.601 2.932 40 0 JFABRN O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccc(I)cc1 ZINC000409224132 570175396 /nfs/dbraw/zinc/17/53/96/570175396.db2.gz KTXGHBZLIKPTAB-UHFFFAOYSA-N 0 0 476.226 2.516 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc2c(c1)OCO2 ZINC000409228724 570176760 /nfs/dbraw/zinc/17/67/60/570176760.db2.gz DCVCDZAEZXSYSX-UHFFFAOYSA-N 0 0 468.531 2.632 40 0 JFABRN CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000409241072 570181861 /nfs/dbraw/zinc/18/18/61/570181861.db2.gz NDMHRSNVKBOURG-KRWDZBQOSA-N 0 0 464.584 2.908 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc2c(c1)OCO2 ZINC000409244353 570183463 /nfs/dbraw/zinc/18/34/63/570183463.db2.gz BJWJHMWVNLRZPW-UHFFFAOYSA-N 0 0 454.504 2.589 40 0 JFABRN C[C@H](CO)Nc1nc(Nc2ccc(I)cc2F)cc(C(F)(F)F)n1 ZINC000329067997 570183670 /nfs/dbraw/zinc/18/36/70/570183670.db2.gz YLSAAILYPNVEKI-SSDOTTSWSA-N 0 0 456.181 2.619 40 0 JFABRN COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cccc1OC ZINC000408532401 570188543 /nfs/dbraw/zinc/18/85/43/570188543.db2.gz OFFKZDFUVQUSLF-GZTJUZNOSA-N 0 0 456.476 2.922 40 0 JFABRN COCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000409269694 570188985 /nfs/dbraw/zinc/18/89/85/570188985.db2.gz LTUNEEGBHSAGSC-UHFFFAOYSA-N 0 0 474.366 2.774 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000408533992 570189349 /nfs/dbraw/zinc/18/93/49/570189349.db2.gz RVVWUFKMMUULMZ-CQSZACIVSA-N 0 0 478.398 2.695 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000408554448 570196234 /nfs/dbraw/zinc/19/62/34/570196234.db2.gz SAFGKZVLUMXWHK-LBPRGKRZSA-N 0 0 474.320 2.914 40 0 JFABRN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000408557706 570198443 /nfs/dbraw/zinc/19/84/43/570198443.db2.gz HKXHQYIHXGQUDN-OAHLLOKOSA-N 0 0 464.540 2.760 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1 ZINC000408559325 570199637 /nfs/dbraw/zinc/19/96/37/570199637.db2.gz WNEJJJNQBKNLGP-HXUWFJFHSA-N 0 0 459.568 2.541 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000408560831 570200676 /nfs/dbraw/zinc/20/06/76/570200676.db2.gz QHEUQRSXAWNMLR-QFIPXVFZSA-N 0 0 471.623 2.830 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1C ZINC000408561820 570201276 /nfs/dbraw/zinc/20/12/76/570201276.db2.gz VPTWKKDWQCOLON-SFHVURJKSA-N 0 0 460.552 2.840 40 0 JFABRN O=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)NCCOc1ccc(Cl)cc1 ZINC000408569157 570204364 /nfs/dbraw/zinc/20/43/64/570204364.db2.gz ZERUITXNBGUNQG-UHFFFAOYSA-N 0 0 469.925 2.531 40 0 JFABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)CC1=O ZINC000408576937 570206028 /nfs/dbraw/zinc/20/60/28/570206028.db2.gz HKJLJTCSIATYSF-SFHVURJKSA-N 0 0 484.984 2.702 40 0 JFABRN COC(=O)c1cc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc(C(=O)OC)c1 ZINC000408584655 570207640 /nfs/dbraw/zinc/20/76/40/570207640.db2.gz SOWXJZCJRFRWCQ-UHFFFAOYSA-N 0 0 476.551 2.908 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(NC(C)=O)c3)C2)cc1OC ZINC000408584980 570207811 /nfs/dbraw/zinc/20/78/11/570207811.db2.gz XJJZOFJMDYKUDU-INIZCTEOSA-N 0 0 461.540 2.702 40 0 JFABRN COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408590345 570209018 /nfs/dbraw/zinc/20/90/18/570209018.db2.gz GERQGVNCKVWHII-UHFFFAOYSA-N 0 0 467.975 2.602 40 0 JFABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)c(Cl)c1)c1ccccc1 ZINC000408591726 570209320 /nfs/dbraw/zinc/20/93/20/570209320.db2.gz KAKMBCNWKJVJPG-GOSISDBHSA-N 0 0 496.029 2.597 40 0 JFABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2Cl)CC1 ZINC000408593115 570209658 /nfs/dbraw/zinc/20/96/58/570209658.db2.gz MNDDZHNUWRLXGV-UHFFFAOYSA-N 0 0 451.976 2.992 40 0 JFABRN C[C@H](Oc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1)C(=O)N1CCOCC1 ZINC000408593156 570209697 /nfs/dbraw/zinc/20/96/97/570209697.db2.gz LSPFNTCVBLIWBB-AWEZNQCLSA-N 0 0 469.357 2.876 40 0 JFABRN COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2cc(CC3CCCCC3)nn2)c1 ZINC000015709275 291485051 /nfs/dbraw/zinc/48/50/51/291485051.db2.gz NTDBEQHYCNMLMM-FNAHDJPLSA-N 0 0 485.610 2.881 40 0 biogenic,in-vitro JFABRN COCCOc1ccc(C(=O)N[C@@H]2CN(C(=O)Nc3cccc(OC)c3)CCC[C@H]2O)cc1 ZINC000015672188 291485425 /nfs/dbraw/zinc/48/54/25/291485425.db2.gz KVOKVMJJBCCNSU-FGZHOGPDSA-N 0 0 457.527 2.508 40 0 biogenic,in-vitro JFABRN COc1c2c(c(C)c3c1C[C@@H]1[C@@](C)(C[C@@]4(O)OC[C@@]5(C)O[C@@]6(OC)CC[C@@]1(C)[C@]54O6)O3)COC2=O ZINC000036378989 291486143 /nfs/dbraw/zinc/48/61/43/291486143.db2.gz UEVWVMGTABEFID-PZCZTKBTSA-N 0 0 488.533 2.751 40 0 biogenic,in-vitro JFABRN COc1c2c(c(C)c3c1C[C@H]1[C@@](C)(C[C@H](O)[C@@]45O[C@@](O)(CC[C@@]14C)OC5(C)C)O3)COC2=O ZINC000247985732 291486159 /nfs/dbraw/zinc/48/61/59/291486159.db2.gz ZFKOTULZHLMUJE-OEQRCDOWSA-N 0 0 460.523 2.759 40 0 biogenic,in-vitro JFABRN COc1c2c(c(C)c3c1C[C@@H]1[C@@](C)(C[C@]4(O)OC[C@]5(C)O[C@@]6(OC)CC[C@@]1(C)[C@]54O6)O3)COC2=O ZINC000253389133 291486265 /nfs/dbraw/zinc/48/62/65/291486265.db2.gz UEVWVMGTABEFID-ZXDSZTQQSA-N 0 0 488.533 2.751 40 0 biogenic,in-vitro JFABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3Cl)C2)C(=O)N1Cc1ccccc1Cl ZINC000225391760 291490318 /nfs/dbraw/zinc/49/03/18/291490318.db2.gz YHYRSDUWIOWLCN-XLIONFOSSA-N 0 0 460.361 2.552 40 0 biogenic,in-vitro JFABRN NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1-c1ccccc1 ZINC000000904732 193958776 /nfs/dbraw/zinc/95/87/76/193958776.db2.gz VXIQHHROBHKCSE-UHFFFAOYSA-N 0 0 457.581 2.686 40 0 JFABRN COc1cccc(OC)c1C(=O)N1CCC(c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[nH]2)CC1 ZINC000001324641 194085868 /nfs/dbraw/zinc/08/58/68/194085868.db2.gz GCINYADOSFFFBE-UHFFFAOYSA-N 0 0 488.548 2.908 40 0 JFABRN COc1ccc([C@H](NS(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)c2ccccc2)cc1 ZINC000001325487 194086441 /nfs/dbraw/zinc/08/64/41/194086441.db2.gz ZJFKSPCBWCMPIP-JOCHJYFZSA-N 0 0 451.508 2.747 40 0 JFABRN CC(=O)c1cccc(S(=O)(=O)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C[C@@H]2COCCO2)c1 ZINC000001335315 194093981 /nfs/dbraw/zinc/09/39/81/194093981.db2.gz DZQXVCDHEDJANB-OAQYLSRUSA-N 0 0 484.574 2.954 40 0 JFABRN COc1ccc(S(=O)(=O)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C[C@H]2COCCO2)cc1 ZINC000001335233 194093982 /nfs/dbraw/zinc/09/39/82/194093982.db2.gz KWSNNNCRWNJJFN-NRFANRHFSA-N 0 0 472.563 2.760 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1C ZINC000001347657 194099416 /nfs/dbraw/zinc/09/94/16/194099416.db2.gz QLEPPTZBEWIJNH-UHFFFAOYSA-N 0 0 478.514 2.718 40 0 aggregator JFABRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C2CCCC2)cc1 ZINC000001333440 194091943 /nfs/dbraw/zinc/09/19/43/194091943.db2.gz OBBOPFWKSRECRY-UHFFFAOYSA-N 0 0 465.597 2.509 40 0 JFABRN COc1ccccc1CC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[nH]2)C1 ZINC000001334157 194092866 /nfs/dbraw/zinc/09/28/66/194092866.db2.gz QSJAFALNBVZFEG-FQEVSTJZSA-N 0 0 472.549 2.829 40 0 JFABRN CC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001373729 194107708 /nfs/dbraw/zinc/10/77/08/194107708.db2.gz NXGYSIMEJDCRTK-UHFFFAOYSA-N 0 0 450.499 2.836 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)Cc1nnnn1C[C@H]1CCCO1)OCCO3 ZINC000001373825 194108004 /nfs/dbraw/zinc/10/80/04/194108004.db2.gz XANRVLGDZTVFSW-GOSISDBHSA-N 0 0 494.577 2.729 40 0 JFABRN COc1ccccc1CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000001357120 194101360 /nfs/dbraw/zinc/10/13/60/194101360.db2.gz LMALYYUSJSDBQM-UHFFFAOYSA-N 0 0 479.518 2.791 40 0 JFABRN COC(=O)[C@H](C)[C@H]1c2cc(Br)cc(Br)c2OC(=O)[C@@H]1C(=O)OC ZINC000001438459 194120589 /nfs/dbraw/zinc/12/05/89/194120589.db2.gz WTTLFVLYQYOQPQ-DADVEIPYSA-N 0 0 450.079 2.813 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000001446367 194122468 /nfs/dbraw/zinc/12/24/68/194122468.db2.gz CKWSLPZSVZOLTK-LYFUXTGPSA-N 0 0 498.944 2.886 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(I)c3)CC2)cc1 ZINC000003556646 194337440 /nfs/dbraw/zinc/33/74/40/194337440.db2.gz HAYJKVNRCRZSFE-UHFFFAOYSA-N 0 0 470.332 2.746 40 0 JFABRN O=C(c1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(NS(=O)(=O)c3cccs3)ccc12 ZINC000003841444 194363537 /nfs/dbraw/zinc/36/35/37/194363537.db2.gz ITJPATOQGRVAEO-DOTOQJQBSA-N 0 0 455.561 2.970 40 0 biogenic,in-vitro JFABRN CCOc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)C(=O)CCC(=O)Nc1ccccn1 ZINC000004091954 194376749 /nfs/dbraw/zinc/37/67/49/194376749.db2.gz NMLQMDKFCPRUTF-SFHVURJKSA-N 0 0 454.527 2.527 40 0 JFABRN COCC(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)N1CCC(C)CC1 ZINC000004222471 194385203 /nfs/dbraw/zinc/38/52/03/194385203.db2.gz DDLDNUMJRRMFLU-LDWUQXNOSA-N 0 0 493.670 2.792 40 0 biogenic,in-vitro JFABRN CCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCOC)c1ccc(OC)cc1OC ZINC000004410933 194389376 /nfs/dbraw/zinc/38/93/76/194389376.db2.gz UHSPVRWUEAEPJU-XMMPIXPASA-N 0 0 483.569 2.581 40 0 JFABRN CCC[C@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000004400526 194389054 /nfs/dbraw/zinc/38/90/54/194389054.db2.gz LMAVNIGBPQYFML-RBBKRZOGSA-N 0 0 497.633 2.729 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 ZINC000004411531 194389601 /nfs/dbraw/zinc/38/96/01/194389601.db2.gz QGPFHOMUYPRZKL-RUZDIDTESA-N 0 0 491.548 2.874 40 0 JFABRN CCC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006501037 194429425 /nfs/dbraw/zinc/42/94/25/194429425.db2.gz TWWIDNZFVMYJSQ-KRWDZBQOSA-N 0 0 473.599 2.703 40 0 JFABRN CCC[C@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006501484 194429752 /nfs/dbraw/zinc/42/97/52/194429752.db2.gz GUIODAYLINWJQD-OAHLLOKOSA-N 0 0 491.614 2.819 40 0 JFABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](CC)C(=O)NC2CCCC2)cc1 ZINC000006821041 194434736 /nfs/dbraw/zinc/43/47/36/194434736.db2.gz PPMQHGFZEOFKCK-MRXNPFEDSA-N 0 0 459.572 2.707 40 0 JFABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C)C(=O)NCc1ccccc1 ZINC000006631446 194433581 /nfs/dbraw/zinc/43/35/81/194433581.db2.gz ZXADTILRYYRYGJ-CQSZACIVSA-N 0 0 467.551 2.575 40 0 JFABRN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 ZINC000009164658 194576998 /nfs/dbraw/zinc/57/69/98/194576998.db2.gz GZBMHJWVHBUUCC-CGXNFDGLSA-N 0 0 463.877 2.862 40 0 JFABRN CCOC(=O)C1=C(CSc2nnc3n2c2ccccc2c(=O)n3-c2ccccc2)NC(=O)N[C@H]1C ZINC000009224276 194610813 /nfs/dbraw/zinc/61/08/13/194610813.db2.gz PSSPEEOPIGWAOZ-AWEZNQCLSA-N 0 0 490.545 2.644 40 0 JFABRN COc1cccc(C(=O)[C@@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)c1 ZINC000009423427 194765743 /nfs/dbraw/zinc/76/57/43/194765743.db2.gz GUNZDWGYZPJSTE-QJRASEFVSA-N 0 0 458.514 2.942 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(C)cc1)N(C(=O)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 ZINC000012641110 195070759 /nfs/dbraw/zinc/07/07/59/195070759.db2.gz GCDRXZIQAZQRHF-XMMPIXPASA-N 0 0 495.576 2.662 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)C(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000012641625 195071415 /nfs/dbraw/zinc/07/14/15/195071415.db2.gz VHSBNPDCBQSFQE-JOCHJYFZSA-N 0 0 497.479 2.931 40 0 JFABRN Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(CCC(C)C)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@]2(C)O4)no1 ZINC000012642583 195072098 /nfs/dbraw/zinc/07/20/98/195072098.db2.gz IPSHFRYOSMALDM-OZAVXPJBSA-N 0 0 484.597 2.957 40 0 JFABRN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000012660491 195080338 /nfs/dbraw/zinc/08/03/38/195080338.db2.gz WNFLHMRCNSIPIT-KGLIPLIRSA-N 0 0 499.365 2.937 40 0 JFABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000012710307 195094522 /nfs/dbraw/zinc/09/45/22/195094522.db2.gz ZCLLFVSMBVVZSD-KNTRGWTASA-N 0 0 467.607 2.977 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)[C@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000012701442 195091519 /nfs/dbraw/zinc/09/15/19/195091519.db2.gz AIPQEJLMXGYRRJ-MRXNPFEDSA-N 0 0 496.543 2.977 40 0 JFABRN O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCC1)c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000012709399 195094108 /nfs/dbraw/zinc/09/41/08/195094108.db2.gz RAPXRCLMFLVFQL-MGBGTMOVSA-N 0 0 477.533 2.744 40 0 JFABRN CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OC(=O)CCCNC(=O)OCc2ccccc2)O1 ZINC000012655272 195077925 /nfs/dbraw/zinc/07/79/25/195077925.db2.gz WRZCTNADBXUVGP-OUJGAGHGSA-N 0 0 479.526 2.633 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1 ZINC000012716376 195097170 /nfs/dbraw/zinc/09/71/70/195097170.db2.gz BLAWEQSJRGBSQF-OXQOHEQNSA-N 0 0 486.598 2.967 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000020802115 195227379 /nfs/dbraw/zinc/22/73/79/195227379.db2.gz RPWOBJOJAVJXAC-RTWAWAEBSA-N 0 0 483.521 2.824 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020802416 195227402 /nfs/dbraw/zinc/22/74/02/195227402.db2.gz IUNFUUPAJJPORP-NHCUHLMSSA-N 0 0 453.495 2.815 40 0 JFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1OC ZINC000020802461 195227632 /nfs/dbraw/zinc/22/76/32/195227632.db2.gz SUCCVHHQJNYQIB-NHCUHLMSSA-N 0 0 453.495 2.815 40 0 JFABRN O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)NCCN3CCOCC3)ccc21 ZINC000020766634 195222195 /nfs/dbraw/zinc/22/21/95/195222195.db2.gz LMSPWYSMBPSPII-UHFFFAOYSA-N 0 0 463.987 2.544 40 0 JFABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)N3CCC(O)CC3)cc2c1 ZINC000057589517 195351391 /nfs/dbraw/zinc/35/13/91/195351391.db2.gz TXSBTMJPJVAOGD-XMMPIXPASA-N 0 0 474.565 2.680 40 0 JFABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000057589816 195351803 /nfs/dbraw/zinc/35/18/03/195351803.db2.gz RXWPJYHAJHDHCN-NZQKXSOJSA-N 0 0 494.596 2.675 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)c(C)cc3[nH]c2=O)N2CCC(O)CC2)cc1 ZINC000057589930 195351823 /nfs/dbraw/zinc/35/18/23/195351823.db2.gz YIVGQPDERKMNGF-DEOSSOPVSA-N 0 0 474.565 2.734 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)cc(C)c3[nH]c2=O)N2CCC(O)CC2)cc1 ZINC000057589797 195351896 /nfs/dbraw/zinc/35/18/96/195351896.db2.gz GWYCWKVTHINLHC-DEOSSOPVSA-N 0 0 474.565 2.734 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)N3CCC(O)CC3)cc2c1 ZINC000057594873 195352220 /nfs/dbraw/zinc/35/22/20/195352220.db2.gz KNRLOKWXRALICA-DEOSSOPVSA-N 0 0 490.564 2.516 40 0 JFABRN COc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3C[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000057607802 195353063 /nfs/dbraw/zinc/35/30/63/195353063.db2.gz ZFZQKXMBRAMFFK-IBGZPJMESA-N 0 0 466.567 2.966 40 0 JFABRN COc1ccc2cc(CN(Cc3nnnn3C[C@H]3CCCO3)Cc3ccccc3OC)c(=O)[nH]c2c1 ZINC000057607814 195353067 /nfs/dbraw/zinc/35/30/67/195353067.db2.gz NEMGQCJDSXLEOE-JOCHJYFZSA-N 0 0 490.564 2.913 40 0 JFABRN COc1ccc(CN(Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000057607777 195353109 /nfs/dbraw/zinc/35/31/09/195353109.db2.gz SIEYKVCVWHZKEW-QHCPKHFHSA-N 0 0 490.564 2.913 40 0 JFABRN COc1cc2cc(CN(Cc3nnnn3C[C@H]3CCCO3)Cc3ccccc3)c(=O)[nH]c2cc1OC ZINC000057640374 195353891 /nfs/dbraw/zinc/35/38/91/195353891.db2.gz WSFYINNQQYFMCQ-OAQYLSRUSA-N 0 0 490.564 2.913 40 0 JFABRN CC[C@@H](c1nnnn1C1CCCC1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641325 195355510 /nfs/dbraw/zinc/35/55/10/195355510.db2.gz VKNZMVNKWCGSIE-FQEVSTJZSA-N 0 0 468.558 2.737 40 0 JFABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](C(C)C)N2CCN(c3ccccc3)CC2)cc1 ZINC000057671740 195357196 /nfs/dbraw/zinc/35/71/96/195357196.db2.gz QUGHTILCABXQAP-JOCHJYFZSA-N 0 0 454.600 2.932 40 0 JFABRN CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000057730275 195358660 /nfs/dbraw/zinc/35/86/60/195358660.db2.gz FOQUIENZKRJUEU-QGZVFWFLSA-N 0 0 466.567 2.738 40 0 JFABRN CCN(CC)[C@H]1N(C(=O)c2ccccc2Br)N=C2c3ccccc3S(=O)(=O)N21 ZINC000059417248 195399727 /nfs/dbraw/zinc/39/97/27/195399727.db2.gz VZLVZYZXZOPVRZ-IBGZPJMESA-N 0 0 463.357 2.896 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224841863 195465543 /nfs/dbraw/zinc/46/55/43/195465543.db2.gz XXIMQENHQOXWQO-MRXNPFEDSA-N 0 0 491.997 2.818 40 0 JFABRN O=C(NC[C@H]1O[C@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)CC[C@@H]1O)c1ccccc1 ZINC000096269010 130004152 /nfs/dbraw/zinc/00/41/52/130004152.db2.gz ZULLNMSARBSYKP-DOEKTCAHSA-N 0 0 490.604 2.878 40 0 biogenic,in-vitro JFABRN CCOC(=O)[C@@H]1[C@@H](C(=O)OCC)Sc2[nH]c(=O)sc2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000096318861 130063787 /nfs/dbraw/zinc/06/37/87/130063787.db2.gz WULIHEMIPMNPHO-IPYPFGDCSA-N 0 0 451.522 2.572 40 0 JFABRN CC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 ZINC000006074659 518745960 /nfs/dbraw/zinc/74/59/60/518745960.db2.gz QMIILCGEGNJFHX-MRXNPFEDSA-N 0 0 459.503 2.859 40 0 JFABRN CC(C)NC(=O)CCn1c2nnc(SCC(=O)Nc3cccc(F)c3)n2c2ccccc2c1=O ZINC000033292029 519704609 /nfs/dbraw/zinc/70/46/09/519704609.db2.gz MRUNOCULKFXVQM-UHFFFAOYSA-N 0 0 482.541 2.829 40 0 JFABRN CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4ccco4)c(=O)n2C3)cc1 ZINC000004237184 519731053 /nfs/dbraw/zinc/73/10/53/519731053.db2.gz BRXKHGMCQKLNIS-DLBZAZTESA-N 0 0 453.520 2.875 40 0 biogenic,in-vitro JFABRN CC(C)CNC(=O)CCn1c2nn(Cc3ccc(F)cc3Cl)c(=O)n2c2ccccc2c1=O ZINC000033291946 519733703 /nfs/dbraw/zinc/73/37/03/519733703.db2.gz YXDQQGGOFKOHDU-UHFFFAOYSA-N 0 0 471.920 2.814 40 0 JFABRN CC(C)CNS(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1 ZINC000008829065 519749247 /nfs/dbraw/zinc/74/92/47/519749247.db2.gz YGUBJNNZNFOXDV-UHFFFAOYSA-N 0 0 458.515 2.622 40 0 JFABRN CC(=O)Oc1ccc([C@H]2c3cc(OC(C)=O)c(OC(C)=O)cc3C[C@H]3C(=O)OC[C@@H]32)cc1OC(C)=O ZINC000004404420 519759749 /nfs/dbraw/zinc/75/97/49/519759749.db2.gz DNMNGEFEECGXMP-RNHFSVANSA-N 0 0 496.468 2.865 40 0 JFABRN CCOCCCNC(=S)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006089646 519896128 /nfs/dbraw/zinc/89/61/28/519896128.db2.gz QTAISCDYGCNNBG-UHFFFAOYSA-N 0 0 454.552 2.955 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(OC)c(OC)c2)c(Cl)c1 ZINC000020022963 519981967 /nfs/dbraw/zinc/98/19/67/519981967.db2.gz PRFVJZLOBUKEDG-UHFFFAOYSA-N 0 0 456.948 2.741 40 0 JFABRN CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1OC ZINC000016681775 520049861 /nfs/dbraw/zinc/04/98/61/520049861.db2.gz VYUYIVFTBLLAJZ-UHFFFAOYSA-N 0 0 451.976 2.918 40 0 JFABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000014031093 520335764 /nfs/dbraw/zinc/33/57/64/520335764.db2.gz KRWDDLWZCFLVKS-UHFFFAOYSA-N 0 0 463.581 2.623 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3O)c(=O)n2[C@H]1c1ccccc1 ZINC000006487862 520481583 /nfs/dbraw/zinc/48/15/83/520481583.db2.gz AZXYRTQVUFSBEC-YMFQVDJJSA-N 0 0 450.516 2.513 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000016682418 520483306 /nfs/dbraw/zinc/48/33/06/520483306.db2.gz ONJKAAPXYSBORD-PRWBYUBPSA-N 0 0 468.506 2.652 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000013920653 520484969 /nfs/dbraw/zinc/48/49/69/520484969.db2.gz JIVNXGJYKLIPMI-PZDOZLBDSA-N 0 0 480.542 2.521 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000033714556 520486318 /nfs/dbraw/zinc/48/63/18/520486318.db2.gz ATGYQJHVMZBKLR-VOSMRYOYSA-N 0 0 463.559 2.981 40 0 JFABRN CCN(CC)C(=O)CSc1nnc2n1c1ccccc1c(=O)n2CCC(=O)NC1CCCCC1 ZINC000033292143 520495716 /nfs/dbraw/zinc/49/57/16/520495716.db2.gz CNOMLSNGADCBOH-UHFFFAOYSA-N 0 0 484.626 2.844 40 0 JFABRN CC1(C)O[C@@]2(C[C@@H]1[C@]1(C)C=CC(=O)O1)C[C@]1(O)[C@H](CC[C@]34C[C@@]31C(=O)O[C@@H]4c1ccoc1)O2 ZINC000005493368 520613471 /nfs/dbraw/zinc/61/34/71/520613471.db2.gz CJJZZJATCPPMMW-DWMRLPMDSA-N 0 0 456.491 2.951 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000033146762 520801940 /nfs/dbraw/zinc/80/19/40/520801940.db2.gz AMNZQFMDPGRRAI-SFHVURJKSA-N 0 0 479.624 2.757 40 0 JFABRN CCOc1ccc(-n2c3nnc(CN4CCN(C(C)=O)CC4)n3c3cc(Cl)ccc3c2=O)cc1 ZINC000016446629 520836512 /nfs/dbraw/zinc/83/65/12/520836512.db2.gz RMGYYXAGZGMSIW-UHFFFAOYSA-N 0 0 480.956 2.750 40 0 JFABRN CCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013503103 520977234 /nfs/dbraw/zinc/97/72/34/520977234.db2.gz HKDHVKDKBOKYPR-LJQANCHMSA-N 0 0 467.563 2.809 40 0 JFABRN CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(O)cc4)N[C@@](CCSC)(C(=O)OC)[C@@H]3C2=O)cc1 ZINC000012497824 521038059 /nfs/dbraw/zinc/03/80/59/521038059.db2.gz CJNJMFNRNBHDNJ-IZZGNVEXSA-N 0 0 484.574 2.906 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)cc1Cl ZINC000016692443 521185165 /nfs/dbraw/zinc/18/51/65/521185165.db2.gz FOAZRMZQHOEBNL-UHFFFAOYSA-N 0 0 451.976 2.708 40 0 JFABRN CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cccc(C(F)(F)F)c1 ZINC000006461988 521313763 /nfs/dbraw/zinc/31/37/63/521313763.db2.gz JZBUMFVQNGNKEW-UHFFFAOYSA-N 0 0 457.478 2.795 40 0 JFABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(CCOC)C(=O)CNC(=O)c1ccco1 ZINC000013507151 521569967 /nfs/dbraw/zinc/56/99/67/521569967.db2.gz WQSFGNADECSZGW-QHCPKHFHSA-N 0 0 471.554 2.683 40 0 JFABRN COC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnnn1-c1ccc(OC)c(OC)c1 ZINC000012468503 521753726 /nfs/dbraw/zinc/75/37/26/521753726.db2.gz AHOIBFUDAXWSCC-UHFFFAOYSA-N 0 0 491.551 2.769 40 0 JFABRN CC[C@@H](C(=O)NCc1ccc(F)cc1)N(CCc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000012472681 521850559 /nfs/dbraw/zinc/85/05/59/521850559.db2.gz WRGMPWWOLBERTE-SFHVURJKSA-N 0 0 483.569 2.743 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(C(=O)OC)c1 ZINC000016188066 521881722 /nfs/dbraw/zinc/88/17/22/521881722.db2.gz PBZMSCGIGKUJLA-UHFFFAOYSA-N 0 0 489.333 2.826 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000014291853 521900132 /nfs/dbraw/zinc/90/01/32/521900132.db2.gz XLMKHXNFNRCXDJ-UHFFFAOYSA-N 0 0 492.550 2.926 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000019568162 522155475 /nfs/dbraw/zinc/15/54/75/522155475.db2.gz LUGLLDSGRXUBLT-DEOSSOPVSA-N 0 0 491.571 2.829 40 0 JFABRN COCCn1nnnc1[C@@H](c1ccccc1F)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013504293 522157434 /nfs/dbraw/zinc/15/74/34/522157434.db2.gz ONMCGAPKZVIVDM-HXUWFJFHSA-N 0 0 453.547 2.980 40 0 JFABRN CC[C@@H](C)NC(=O)CSc1nnc2n1c1ccccc1c(=O)n2CCC(=O)NC1CCCCC1 ZINC000033291981 522172955 /nfs/dbraw/zinc/17/29/55/522172955.db2.gz MEMUCOCVIDJADV-MRXNPFEDSA-N 0 0 484.626 2.890 40 0 JFABRN COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccc(OC)cc3)[C@H](O)[C@H]2[C@@H]1C ZINC000020466807 522777347 /nfs/dbraw/zinc/77/73/47/522777347.db2.gz YIRUXQBCIGESNW-HEMHNPFCSA-N 0 0 460.615 2.902 40 0 biogenic,in-vitro JFABRN COC(=O)C1CCN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)CC1 ZINC000013612682 522906144 /nfs/dbraw/zinc/90/61/44/522906144.db2.gz DJHBBDNFIFOORF-UHFFFAOYSA-N 0 0 456.870 2.536 40 0 JFABRN COc1cc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)c(=O)[nH]c2cc1OC ZINC000006239494 523058356 /nfs/dbraw/zinc/05/83/56/523058356.db2.gz UQKYQUWLAYBIRY-QFIPXVFZSA-N 0 0 464.501 2.904 40 0 JFABRN CCn1c(=O)c2cc3c(cc2nc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1)OCCO3 ZINC000028555693 523107265 /nfs/dbraw/zinc/10/72/65/523107265.db2.gz XPWYXGBJUQLTIO-UHFFFAOYSA-N 0 0 472.904 2.943 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccc(C)cc3)n2)cc1OC ZINC000012480444 523268856 /nfs/dbraw/zinc/26/88/56/523268856.db2.gz IORIUZKEJJJCRC-UHFFFAOYSA-N 0 0 478.553 2.758 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cccc(C)c3)n2)cc1OC ZINC000004388456 523270336 /nfs/dbraw/zinc/27/03/36/523270336.db2.gz MDEZVWPFKCYQCN-UHFFFAOYSA-N 0 0 478.553 2.758 40 0 JFABRN COc1ccc(C(=O)N[C@H]2CCN3C(=O)c4cc(Br)ccc4NC(=O)[C@@H]3C2)cc1 ZINC000004222174 523738723 /nfs/dbraw/zinc/73/87/23/523738723.db2.gz WZAOZQDGTGVUHR-KSSFIOAISA-N 0 0 458.312 2.813 40 0 biogenic,in-vitro JFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000037021557 523803967 /nfs/dbraw/zinc/80/39/67/523803967.db2.gz JVBGSCRCELVUMV-WIYYLYMNSA-N 0 0 477.558 2.918 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000004388458 523918438 /nfs/dbraw/zinc/91/84/38/523918438.db2.gz FCGNQPSGPINOTJ-DEOSSOPVSA-N 0 0 461.522 2.865 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C ZINC000012467259 523918560 /nfs/dbraw/zinc/91/85/60/523918560.db2.gz AWGJGEWCZHGGPE-FQEVSTJZSA-N 0 0 499.568 2.731 40 0 JFABRN COCCNC(=O)[C@H](c1cccc(OC)c1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013508990 523919171 /nfs/dbraw/zinc/91/91/71/523919171.db2.gz JYOMTCYDOMFKCF-SANMLTNESA-N 0 0 487.560 2.973 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000020021117 523959223 /nfs/dbraw/zinc/95/92/23/523959223.db2.gz UPECIWZKEZHJSM-AWEZNQCLSA-N 0 0 471.373 2.630 40 0 JFABRN COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1OC ZINC000013580568 523967194 /nfs/dbraw/zinc/96/71/94/523967194.db2.gz HAYDXBCMZJIVNF-KRWDZBQOSA-N 0 0 480.558 2.611 40 0 JFABRN CC[C@H](C)NC(=O)CSc1nnc2n1c1ccccc1c(=O)n2CCC(=O)NC1CCCCC1 ZINC000033291982 523975717 /nfs/dbraw/zinc/97/57/17/523975717.db2.gz MEMUCOCVIDJADV-INIZCTEOSA-N 0 0 484.626 2.890 40 0 JFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1OC ZINC000044850438 524046354 /nfs/dbraw/zinc/04/63/54/524046354.db2.gz WARGMLVMIXGQRK-UHFFFAOYSA-N 0 0 460.596 2.995 40 0 JFABRN COc1ccc(CNC(=O)[C@H](C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(Cl)cc2)cc1 ZINC000012472550 524063917 /nfs/dbraw/zinc/06/39/17/524063917.db2.gz SGPMRLRIZQXPQE-LBPRGKRZSA-N 0 0 487.969 2.838 40 0 JFABRN Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4cccc(F)c4)CC2)[nH]c3=O)c1 ZINC000006161757 524113229 /nfs/dbraw/zinc/11/32/29/524113229.db2.gz VKCKPSGVDQVHGA-UHFFFAOYSA-N 0 0 496.568 2.887 40 0 JFABRN Cc1ccc(C)c(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(=O)(=O)N(C)C)c1 ZINC000020244823 524118350 /nfs/dbraw/zinc/11/83/50/524118350.db2.gz SNLBIRUKDAPKFF-UHFFFAOYSA-N 0 0 465.019 2.918 40 0 JFABRN Cc1ccc(C)c(N(CC(=O)NC[C@H]2CCCO2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013503248 524118556 /nfs/dbraw/zinc/11/85/56/524118556.db2.gz MEUUJWUMUVSEGW-LJQANCHMSA-N 0 0 494.013 2.564 40 0 JFABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000012472689 524401489 /nfs/dbraw/zinc/40/14/89/524401489.db2.gz BLABRKYFZFCEEX-HNNXBMFYSA-N 0 0 451.552 2.793 40 0 JFABRN COc1ccccc1CNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 ZINC000008764259 524480119 /nfs/dbraw/zinc/48/01/19/524480119.db2.gz LWWGFURJWFMOSA-LUFNOOMBSA-N 0 0 457.530 2.817 40 0 JFABRN COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000012480719 524527556 /nfs/dbraw/zinc/52/75/56/524527556.db2.gz XVRXXZMGRABVKQ-UHFFFAOYSA-N 0 0 452.490 2.580 40 0 JFABRN COc1ccc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(NC(=O)c3cnccn3)c2=O)cc1 ZINC000004259063 524558302 /nfs/dbraw/zinc/55/83/02/524558302.db2.gz OKLPQFWXGADNNX-JKSUJKDBSA-N 0 0 460.494 2.550 40 0 biogenic,in-vitro JFABRN COc1ccccc1NC(=O)CSc1nnc2n1c1ccccc1c(=O)n2CCC(=O)NC(C)C ZINC000033292007 524599575 /nfs/dbraw/zinc/59/95/75/524599575.db2.gz UUPXBMAKVCKTRY-UHFFFAOYSA-N 0 0 494.577 2.698 40 0 JFABRN Cc1ccc(N(CC(=O)NCc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1Cl ZINC000012472626 524894376 /nfs/dbraw/zinc/89/43/76/524894376.db2.gz QBEVCPMQSOSIRT-UHFFFAOYSA-N 0 0 457.943 2.749 40 0 JFABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccc(F)cc1 ZINC000022537506 524969843 /nfs/dbraw/zinc/96/98/43/524969843.db2.gz GVYXPOHUKDYNCY-AWEZNQCLSA-N 0 0 456.923 2.756 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[nH]3)CC2)cc1 ZINC000006161833 525021800 /nfs/dbraw/zinc/02/18/00/525021800.db2.gz LOPYYGQIMFUJBM-UHFFFAOYSA-N 0 0 480.550 2.552 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000044840789 525023640 /nfs/dbraw/zinc/02/36/40/525023640.db2.gz PQGRSFRHUKQDDB-UHFFFAOYSA-N 0 0 495.623 2.501 40 0 JFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C ZINC000020045347 525053902 /nfs/dbraw/zinc/05/39/02/525053902.db2.gz NKFPUMMJXFPOGG-UHFFFAOYSA-N 0 0 495.623 2.727 40 0 JFABRN C[C@H]1OC[C@@H]2O[C@@H](C)O[C@@H](C(C3C(=O)CC(C)(C)CC3=O)C3C(=O)CC(C)(C)CC3=O)[C@@H]2O1 ZINC000005479600 525057393 /nfs/dbraw/zinc/05/73/93/525057393.db2.gz VYFXIITZEXVDOU-BUVSUBDGSA-N 0 0 464.555 2.643 40 0 JFABRN COc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000016217306 525061667 /nfs/dbraw/zinc/06/16/67/525061667.db2.gz DGRSCYILIRXJDC-QZTJIDSGSA-N 0 0 482.624 2.767 40 0 JFABRN COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000019553526 525213523 /nfs/dbraw/zinc/21/35/23/525213523.db2.gz INKOCIZQIFVAQH-QHCPKHFHSA-N 0 0 458.522 2.870 40 0 JFABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000012472623 525213724 /nfs/dbraw/zinc/21/37/24/525213724.db2.gz DLTLYDUIYARKSC-ZDUSSCGKSA-N 0 0 455.515 2.623 40 0 JFABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1Cl ZINC000020454993 525218803 /nfs/dbraw/zinc/21/88/03/525218803.db2.gz FVLWZMZYFIOCEM-AWEZNQCLSA-N 0 0 451.932 2.873 40 0 JFABRN Cc1ccc(NCc2nnc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n2-c2ccccc2)cc1 ZINC000020367894 525289573 /nfs/dbraw/zinc/28/95/73/525289573.db2.gz NJSCMQQCPUWBSC-UHFFFAOYSA-N 0 0 488.577 2.623 40 0 JFABRN COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000022928987 525380768 /nfs/dbraw/zinc/38/07/68/525380768.db2.gz XUWLABZHTDDFAM-WIOPSUGQSA-N 0 0 478.597 2.777 40 0 JFABRN C[C@@H]1Cc2cc(C(=O)NCCN3CCOCC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448805 525520391 /nfs/dbraw/zinc/52/03/91/525520391.db2.gz WXTQCPJATPBECS-MRXNPFEDSA-N 0 0 463.987 2.542 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccco2)[C@H](C(=O)NC(C)(C)C)C(C)C)cc1 ZINC000013502927 525563287 /nfs/dbraw/zinc/56/32/87/525563287.db2.gz NYCOECACPHSNFL-NRFANRHFSA-N 0 0 463.600 2.834 40 0 JFABRN Cc1ccc(S(=O)(=O)NCc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 ZINC000035315206 525579352 /nfs/dbraw/zinc/57/93/52/525579352.db2.gz IFWRRCALTONYPQ-UHFFFAOYSA-N 0 0 459.597 2.950 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000012480846 525863448 /nfs/dbraw/zinc/86/34/48/525863448.db2.gz VQWGVIARLNLXOF-UHFFFAOYSA-N 0 0 476.537 2.512 40 0 JFABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccc(O)cc2)c1 ZINC000006074987 526126910 /nfs/dbraw/zinc/12/69/10/526126910.db2.gz GYFHPZVXADLFQI-IBGZPJMESA-N 0 0 497.577 2.841 40 0 JFABRN O=C(CN(Cc1ccc(F)cc1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCC1 ZINC000012480260 526699043 /nfs/dbraw/zinc/69/90/43/526699043.db2.gz CLHXWNRAAZFCMO-UHFFFAOYSA-N 0 0 454.481 2.706 40 0 JFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NCc1ccc2c(c1)OCO2 ZINC000019935435 526956121 /nfs/dbraw/zinc/95/61/21/526956121.db2.gz NICODYIBVGSEKM-UHFFFAOYSA-N 0 0 452.916 2.548 40 0 JFABRN O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)Nc1nccs1 ZINC000012475611 527076841 /nfs/dbraw/zinc/07/68/41/527076841.db2.gz IUKKJNDLFIRADL-UHFFFAOYSA-N 0 0 451.555 2.708 40 0 JFABRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CCN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000020479081 527119889 /nfs/dbraw/zinc/11/98/89/527119889.db2.gz ZUVXXZLBFXDALY-JWWGGVBKSA-N 0 0 452.555 2.878 40 0 JFABRN O=S(=O)(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2ccco2)n1)c1ccc2ccccc2c1 ZINC000005433930 527243330 /nfs/dbraw/zinc/24/33/30/527243330.db2.gz BGVKYMVIBNNZIO-JFJDKTSWSA-N 0 0 478.530 2.815 40 0 biogenic,in-vitro JFABRN Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000044932859 527372197 /nfs/dbraw/zinc/37/21/97/527372197.db2.gz USCFMDOYKIDZHR-FQEVSTJZSA-N 0 0 460.943 2.678 40 0 JFABRN O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020460399 527408848 /nfs/dbraw/zinc/40/88/48/527408848.db2.gz SUSUCVHQTPRVAK-JOCHJYFZSA-N 0 0 499.633 2.772 40 0 JFABRN O=C(Nc1ccccc1C(F)(F)F)[C@H]1C=C([O-])NC(N2CCN(c3ccc(F)cc3)CC2)=[NH+]1 ZINC000014607024 527412311 /nfs/dbraw/zinc/41/23/11/527412311.db2.gz LWHAWXQULFHXNS-GOSISDBHSA-N 0 0 463.435 2.850 40 0 JFABRN O=C(Cn1nc2n(c1=O)c1ccccc1c(=O)n2Cc1ccccc1)NCc1ccccc1Cl ZINC000035479974 527422233 /nfs/dbraw/zinc/42/22/33/527422233.db2.gz OKQQHTQPGKKSFU-UHFFFAOYSA-N 0 0 473.920 2.829 40 0 JFABRN O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccc2c(c1)OCO2 ZINC000016431066 527458088 /nfs/dbraw/zinc/45/80/88/527458088.db2.gz XCGNWRZRXTYALN-UHFFFAOYSA-N 0 0 459.396 2.948 40 0 JFABRN O=C([O-])C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)C[C@@H]1CC[NH+]1CCN(c2ccccn2)CC1 ZINC000020463426 527630287 /nfs/dbraw/zinc/63/02/87/527630287.db2.gz CHQOWNWLUAIDMU-ICSRJNTNSA-N 0 0 471.989 2.895 40 0 biogenic,in-vitro JFABRN CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCc3ccco3)cc2c1 ZINC000000879396 553815659 /nfs/dbraw/zinc/81/56/59/553815659.db2.gz SCHVECCMOACVJO-UHFFFAOYSA-N 0 0 470.595 2.729 40 0 JFABRN COc1ccc(CN(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3cccs3)n2)cc1 ZINC000000887390 553825685 /nfs/dbraw/zinc/82/56/85/553825685.db2.gz QQACKLOWKBDTFX-UHFFFAOYSA-N 0 0 468.583 2.888 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCN1CCOCC1)C(=S)NC1CCCCC1)OCCO3 ZINC000000891228 553828557 /nfs/dbraw/zinc/82/85/57/553828557.db2.gz VUOLUPQQLBKLTR-UHFFFAOYSA-N 0 0 486.638 2.641 40 0 JFABRN Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000000904728 553837194 /nfs/dbraw/zinc/83/71/94/553837194.db2.gz MHXQVIJSRCIXTJ-UHFFFAOYSA-N 0 0 457.581 2.605 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1CN(CCO)S(=O)(=O)c1cccc(C(F)(F)F)c1)OCCO3 ZINC000000919645 553850952 /nfs/dbraw/zinc/85/09/52/553850952.db2.gz GOMJILLFTFRBQM-UHFFFAOYSA-N 0 0 484.452 2.501 40 0 JFABRN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccccc1OC ZINC000000922132 553855851 /nfs/dbraw/zinc/85/58/51/553855851.db2.gz ZDCHKMMYCXDELN-UHFFFAOYSA-N 0 0 450.528 2.739 40 0 JFABRN COc1ccc(CCSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 ZINC000000922299 553856176 /nfs/dbraw/zinc/85/61/76/553856176.db2.gz BYFQPRPUBJOPKF-UHFFFAOYSA-N 0 0 474.608 2.846 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000926227 553862417 /nfs/dbraw/zinc/86/24/17/553862417.db2.gz LKGXPWHBKBTLGU-UHFFFAOYSA-N 0 0 476.537 2.597 40 0 JFABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)Cc3nnnn3C3CCCCC3)cc12 ZINC000000926969 553863457 /nfs/dbraw/zinc/86/34/57/553863457.db2.gz BWROUMGGMKBNJN-UHFFFAOYSA-N 0 0 479.629 2.971 40 0 JFABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)Cc3nnnn3C3CCCC3)cc12 ZINC000000926941 553863498 /nfs/dbraw/zinc/86/34/98/553863498.db2.gz VNORJMNJJHWZJT-UHFFFAOYSA-N 0 0 465.602 2.581 40 0 JFABRN CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000927463 553864257 /nfs/dbraw/zinc/86/42/57/553864257.db2.gz PRUQCMWIBYIVCF-UHFFFAOYSA-N 0 0 490.564 2.906 40 0 JFABRN COc1ccc2cc(C)c3nnc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)n3c2c1 ZINC000000928467 553866215 /nfs/dbraw/zinc/86/62/15/553866215.db2.gz LSQYZSRJFIWTFD-UHFFFAOYSA-N 0 0 465.535 2.869 40 0 JFABRN Cn1c2nc(SCC(=O)NC3CCCC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000000930521 553868249 /nfs/dbraw/zinc/86/82/49/553868249.db2.gz DLIJZVBMQAJQQC-UHFFFAOYSA-N 0 0 477.590 2.786 40 0 JFABRN C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)C1 ZINC000000931299 553869543 /nfs/dbraw/zinc/86/95/43/553869543.db2.gz JCYQTBXHNOBAEA-MRXNPFEDSA-N 0 0 463.629 2.617 40 0 JFABRN CC(C)n1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000000932558 553870948 /nfs/dbraw/zinc/87/09/48/553870948.db2.gz CRCXBKYEZNEYJZ-UHFFFAOYSA-N 0 0 457.600 2.934 40 0 JFABRN COc1cccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1OC ZINC000000934205 553872971 /nfs/dbraw/zinc/87/29/71/553872971.db2.gz IZRZDPSEPXNFNB-UHFFFAOYSA-N 0 0 480.550 2.774 40 0 JFABRN COC(=O)CN1C(=O)S/C(=C\c2cc(I)c(OC)c(OC)c2)C1=O ZINC000002815397 554362433 /nfs/dbraw/zinc/36/24/33/554362433.db2.gz UZPIDFGSSGZVSE-WDZFZDKYSA-N 0 0 463.249 2.518 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(I)cc1 ZINC000003560186 554466392 /nfs/dbraw/zinc/46/63/92/554466392.db2.gz CQINLUOZSDBRQT-UHFFFAOYSA-N 0 0 486.331 2.873 40 0 JFABRN COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Br)cc3)cc2C1=O ZINC000003567067 554466416 /nfs/dbraw/zinc/46/64/16/554466416.db2.gz CRCNTCBNVHHVFU-UHFFFAOYSA-N 0 0 475.295 2.877 40 0 JFABRN COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NS(=O)(=O)c4ccccc4)c23)cc1 ZINC000005392802 554489603 /nfs/dbraw/zinc/48/96/03/554489603.db2.gz YWQSVKMJEUMNGB-PKOBYXMFSA-N 0 0 479.558 2.917 40 0 biogenic,in-vitro JFABRN O=C(OC[C@@H](O)[C@@H]1O[C@@H](c2ccccc2)O[C@H](COC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 ZINC000005732572 554493184 /nfs/dbraw/zinc/49/31/84/554493184.db2.gz PBDQBYAPPGCVBX-TXDQRGGKSA-N 0 0 478.497 2.905 40 0 JFABRN CC(C)CCNC(=O)[C@@H](C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)c(Cl)c1 ZINC000006134052 554505944 /nfs/dbraw/zinc/50/59/44/554505944.db2.gz WIFQPQQUCYTOJO-SNVBAGLBSA-N 0 0 455.943 2.814 40 0 JFABRN COc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C)C(=O)NCCC(C)C)n2)cc1OC ZINC000006134063 554505983 /nfs/dbraw/zinc/50/59/83/554505983.db2.gz DTVURYLUJOSUIE-QGZVFWFLSA-N 0 0 496.568 2.647 40 0 JFABRN CC(C)C[C@H](NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O ZINC000006134960 554506761 /nfs/dbraw/zinc/50/67/61/554506761.db2.gz DLESLZSNPIALHC-OALUTQOASA-N 0 0 478.590 2.603 40 0 JFABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)N2CCCCC2)cc1 ZINC000006239854 554521027 /nfs/dbraw/zinc/52/10/27/554521027.db2.gz FJKNFMZHIMPFTB-DEOSSOPVSA-N 0 0 488.548 2.918 40 0 JFABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC(C)(C)C)c3ccncc3)n2)o1 ZINC000006281211 554525367 /nfs/dbraw/zinc/52/53/67/554525367.db2.gz PEEFIQNMNADHIJ-NRFANRHFSA-N 0 0 477.525 2.914 40 0 JFABRN CCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OCC)cc1 ZINC000006500979 554547275 /nfs/dbraw/zinc/54/72/75/554547275.db2.gz DJWLHUDQQVTXOB-HNNXBMFYSA-N 0 0 461.588 2.953 40 0 JFABRN CCC[C@@H](C(=O)NCCC(C)C)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006501151 554547424 /nfs/dbraw/zinc/54/74/24/554547424.db2.gz GXQPHCXMLKJFPL-INIZCTEOSA-N 0 0 463.579 2.937 40 0 JFABRN CCOC(=O)CC[C@H](NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(C)=O)C(=O)OCC ZINC000006546143 554549625 /nfs/dbraw/zinc/54/96/25/554549625.db2.gz LAZWHUPSJRHVFT-BJKOFHAPSA-N 0 0 498.576 2.704 40 0 JFABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](CC)C(=O)NCc2ccccc2)cc1 ZINC000006631874 554557028 /nfs/dbraw/zinc/55/70/28/554557028.db2.gz OXVVHDHBLPVGBN-SFHVURJKSA-N 0 0 481.578 2.965 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(OC)cc1 ZINC000006632172 554557513 /nfs/dbraw/zinc/55/75/13/554557513.db2.gz ZLRPVZDJUANOTP-GOSISDBHSA-N 0 0 454.531 2.977 40 0 JFABRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCOC)c1ccc(F)cc1 ZINC000006860676 554559372 /nfs/dbraw/zinc/55/93/72/554559372.db2.gz HXXFWRCRPJDBQT-HXUWFJFHSA-N 0 0 499.568 2.676 40 0 JFABRN O=C1Nc2ccc(-c3cccs3)cc2C(=O)N2CC[C@H](NS(=O)(=O)c3cccs3)[C@@H]12 ZINC000008296729 554565042 /nfs/dbraw/zinc/56/50/42/554565042.db2.gz TUSMSCOWCMPILV-YJBOKZPZSA-N 0 0 459.574 2.990 40 0 biogenic,in-vitro JFABRN COC(=O)c1cc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc(C(=O)OC)c1 ZINC000008833268 554730552 /nfs/dbraw/zinc/73/05/52/554730552.db2.gz GWNXAHVITKSVKG-UHFFFAOYSA-N 0 0 474.388 2.952 40 0 JFABRN CCOC(=O)c1c(C)n(S(=O)(=O)CC)c2ccc(N(C(=O)C(C)C)S(=O)(=O)CC)cc21 ZINC000008870454 554765657 /nfs/dbraw/zinc/76/56/57/554765657.db2.gz LZXWWYHDIAXKHB-UHFFFAOYSA-N 0 0 472.585 2.663 40 0 JFABRN CCCS(=O)(=O)c1c(C(=O)c2ccc3c(c2)OCO3)n2cccc(N)c2c1S(=O)(=O)CCC ZINC000009261783 555036645 /nfs/dbraw/zinc/03/66/45/555036645.db2.gz UDHPFCQNDSCGSH-UHFFFAOYSA-N 0 0 492.575 2.849 40 0 JFABRN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)=C2)cc1OC ZINC000009290128 555064616 /nfs/dbraw/zinc/06/46/16/555064616.db2.gz VCWBHFBQKHUVMG-WAIKUNEKSA-N 0 0 461.584 2.994 40 0 JFABRN CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CSC2 ZINC000009363805 555124515 /nfs/dbraw/zinc/12/45/15/555124515.db2.gz UPMACXFWQUXCTM-UHFFFAOYSA-N 0 0 450.586 2.658 40 0 JFABRN COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc(OC)c1OC ZINC000009444368 555217345 /nfs/dbraw/zinc/21/73/45/555217345.db2.gz YCKJNMILXDCOQM-QINHECLXSA-N 0 0 454.401 2.816 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccc3c(c2)OCO3)no1 ZINC000013150872 555356883 /nfs/dbraw/zinc/35/68/83/555356883.db2.gz DDJRNJGPHNFEIV-UHFFFAOYSA-N 0 0 456.499 2.518 40 0 JFABRN CCOc1ccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013151092 555358191 /nfs/dbraw/zinc/35/81/91/555358191.db2.gz FHVPGBPIAMHYJB-GOSISDBHSA-N 0 0 460.556 2.589 40 0 JFABRN Cc1ccc(C(=O)OC[C@@H]2O[C@@H]3[C@@H](Oc4c(C)c(=O)ncn43)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000013424970 555399290 /nfs/dbraw/zinc/39/92/90/555399290.db2.gz RNKNDVPLZYXRLZ-SEDAZVQISA-N 0 0 476.485 2.910 40 0 JFABRN COCCn1nnnc1[C@H](c1ccc(O)c(OC)c1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013496462 555411746 /nfs/dbraw/zinc/41/17/46/555411746.db2.gz CQHHNIDHZYOPFH-NRFANRHFSA-N 0 0 481.582 2.555 40 0 JFABRN CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013501004 555446292 /nfs/dbraw/zinc/44/62/92/555446292.db2.gz ROIVOHNGUITHMN-LEWJYISDSA-N 0 0 454.575 2.646 40 0 JFABRN O=C(CCC(=O)N(CC(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2)Nc1ccccn1 ZINC000013501265 555449051 /nfs/dbraw/zinc/44/90/51/555449051.db2.gz NUDPGYCIIUDTCH-UHFFFAOYSA-N 0 0 474.517 2.921 40 0 JFABRN COc1ccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c(OC)c1 ZINC000013501548 555450397 /nfs/dbraw/zinc/45/03/97/555450397.db2.gz WMKYQRJUVUXQJP-UHFFFAOYSA-N 0 0 466.494 2.760 40 0 JFABRN CCOc1ccc([C@H](C(=O)NCc2ccco2)N(CCOC)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013502476 555455563 /nfs/dbraw/zinc/45/55/63/555455563.db2.gz AUKQLNKEQSYMPZ-RUZDIDTESA-N 0 0 491.548 2.956 40 0 JFABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502752 555456941 /nfs/dbraw/zinc/45/69/41/555456941.db2.gz WJTDFPXOTMNQOC-FQEVSTJZSA-N 0 0 463.625 2.893 40 0 JFABRN CC(C)[C@@H](C(=O)NCc1ccccc1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502745 555457018 /nfs/dbraw/zinc/45/70/18/555457018.db2.gz QBDVJUBSAIZEDE-DEOSSOPVSA-N 0 0 483.590 2.928 40 0 JFABRN Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCCc2ccccc2)Cc2cccs2)cc1 ZINC000013502957 555458400 /nfs/dbraw/zinc/45/84/00/555458400.db2.gz ZIUJQIRLJYONRY-UHFFFAOYSA-N 0 0 485.631 2.723 40 0 JFABRN CC(C)[C@H](C(=O)NC[C@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000013503072 555459016 /nfs/dbraw/zinc/45/90/16/555459016.db2.gz FRLLCMXJIVHAGL-NFBKMPQASA-N 0 0 497.633 2.585 40 0 JFABRN COCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1C ZINC000013505847 555468338 /nfs/dbraw/zinc/46/83/38/555468338.db2.gz HZRDMYUUOIVLIN-CYFREDJKSA-N 0 0 486.569 2.522 40 0 JFABRN O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1cccs1)NC1CCCCC1 ZINC000013506562 555472368 /nfs/dbraw/zinc/47/23/68/555472368.db2.gz BCCDPGZCALXGMI-UHFFFAOYSA-N 0 0 457.552 2.684 40 0 JFABRN COCCN(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1cccnc1 ZINC000013506545 555472377 /nfs/dbraw/zinc/47/23/77/555472377.db2.gz HTECJLRUOVEJCG-NRFANRHFSA-N 0 0 458.584 2.538 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(OCC)cc1 ZINC000013507168 555475316 /nfs/dbraw/zinc/47/53/16/555475316.db2.gz OXJLJIKWCSAKPM-DEOSSOPVSA-N 0 0 499.564 2.600 40 0 JFABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000013507891 555477278 /nfs/dbraw/zinc/47/72/78/555477278.db2.gz WDXPLJAFQCPLJF-DEOSSOPVSA-N 0 0 483.565 2.900 40 0 JFABRN COCCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(C)=O)cc1 ZINC000013508567 555479098 /nfs/dbraw/zinc/47/90/98/555479098.db2.gz YOGPHITYLIGKCJ-XMMPIXPASA-N 0 0 490.520 2.520 40 0 JFABRN COCCNC(=O)[C@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013509009 555480352 /nfs/dbraw/zinc/48/03/52/555480352.db2.gz IDQIYRKEEOPUMC-VWLOTQADSA-N 0 0 473.533 2.977 40 0 JFABRN COCCNC(=O)[C@H](c1ccc(OC)cc1)N(CCC(C)C)C(=O)Cn1nnc2ccccc21 ZINC000013509163 555480502 /nfs/dbraw/zinc/48/05/02/555480502.db2.gz ARWXZHGGPZSHGB-DEOSSOPVSA-N 0 0 467.570 2.819 40 0 JFABRN COCCNC(=O)[C@@H](c1ccc(Cl)cc1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013509389 555481368 /nfs/dbraw/zinc/48/13/68/555481368.db2.gz VHHIHSKGUADZLU-AUSIDOKSSA-N 0 0 485.972 2.596 40 0 JFABRN COCCNC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1C ZINC000013509363 555481390 /nfs/dbraw/zinc/48/13/90/555481390.db2.gz KEGVPWQBDUTXON-RUZDIDTESA-N 0 0 472.549 2.980 40 0 JFABRN CC[C@H](c1nnnn1CCOC)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013510425 555482291 /nfs/dbraw/zinc/48/22/91/555482291.db2.gz CXHVCXKWYOWDPI-LJQANCHMSA-N 0 0 466.498 2.636 40 0 JFABRN CCOC(=O)CC(=O)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)CC1 ZINC000013565526 555501979 /nfs/dbraw/zinc/50/19/79/555501979.db2.gz IGCJDLOXMSQGFD-UHFFFAOYSA-N 0 0 493.351 2.529 40 0 JFABRN CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000013565636 555502188 /nfs/dbraw/zinc/50/21/88/555502188.db2.gz HCYOOBGCBJTVAV-XMMPIXPASA-N 0 0 497.592 2.996 40 0 JFABRN CNC(=O)c1ccc(S(=O)(=O)N2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000013566191 555503265 /nfs/dbraw/zinc/50/32/65/555503265.db2.gz IHLWDLOYHSIJKN-UHFFFAOYSA-N 0 0 467.473 2.836 40 0 JFABRN CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)CC1 ZINC000019868038 555522349 /nfs/dbraw/zinc/52/23/49/555522349.db2.gz PREZTNQMRKKHTJ-UHFFFAOYSA-N 0 0 456.992 2.684 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 ZINC000019868510 555523085 /nfs/dbraw/zinc/52/30/85/555523085.db2.gz DDQKPULHOMBOFE-UHFFFAOYSA-N 0 0 492.525 2.579 40 0 JFABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868898 555523609 /nfs/dbraw/zinc/52/36/09/555523609.db2.gz VRKKQTCNIYWXFP-IRXDYDNUSA-N 0 0 477.608 2.696 40 0 JFABRN CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3C1[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 ZINC000013590905 555525151 /nfs/dbraw/zinc/52/51/51/555525151.db2.gz ANYNUHFXXQLFIY-WCUSKWJXSA-N 0 0 498.535 2.964 40 0 JFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)N1CCN(c2ccccc2F)CC1 ZINC000019935415 555552648 /nfs/dbraw/zinc/55/26/48/555552648.db2.gz UXUYSVSYENVLFL-UHFFFAOYSA-N 0 0 481.977 2.991 40 0 JFABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1 ZINC000019940357 555558517 /nfs/dbraw/zinc/55/85/17/555558517.db2.gz RMVAFOBUZYIDQF-QFIPXVFZSA-N 0 0 451.575 2.755 40 0 JFABRN COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019940455 555558554 /nfs/dbraw/zinc/55/85/54/555558554.db2.gz VKLWKOGMBGLIPL-URXFXBBRSA-N 0 0 472.549 2.850 40 0 JFABRN CCS(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000013670224 555560748 /nfs/dbraw/zinc/56/07/48/555560748.db2.gz YZVBLROLVLGUKY-UHFFFAOYSA-N 0 0 468.572 2.803 40 0 JFABRN COc1ccc(NC(SCC(=O)N2[C@H](C)CCC[C@H]2C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973649 555574384 /nfs/dbraw/zinc/57/43/84/555574384.db2.gz XTADELWNYIYATN-HUUCEWRRSA-N 0 0 474.583 2.892 40 0 JFABRN COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000019973005 555574950 /nfs/dbraw/zinc/57/49/50/555574950.db2.gz GOZWAGJBTLAYNX-RUZDIDTESA-N 0 0 487.608 2.998 40 0 JFABRN COc1ccc(NC(SCC(=O)N2CCCCCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973885 555575834 /nfs/dbraw/zinc/57/58/34/555575834.db2.gz SDYVYTYZAHHXTQ-UHFFFAOYSA-N 0 0 460.556 2.505 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1OC ZINC000020005189 555579151 /nfs/dbraw/zinc/57/91/51/555579151.db2.gz FMPIGJVWFIUONS-QFIPXVFZSA-N 0 0 468.575 2.952 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)cc1C ZINC000009974581 555579644 /nfs/dbraw/zinc/57/96/44/555579644.db2.gz QSTPQLUMTLVOTC-LJQANCHMSA-N 0 0 475.586 2.892 40 0 JFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1Cl ZINC000020006061 555580458 /nfs/dbraw/zinc/58/04/58/555580458.db2.gz NBDAPHVMSBSMKW-HXUWFJFHSA-N 0 0 459.955 2.950 40 0 JFABRN CCOCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000020006416 555581075 /nfs/dbraw/zinc/58/10/75/555581075.db2.gz FIGWBQPBBAJRRW-LJQANCHMSA-N 0 0 454.976 2.781 40 0 JFABRN CN(c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1)S(C)(=O)=O ZINC000013688512 555581712 /nfs/dbraw/zinc/58/17/12/555581712.db2.gz HDRGVFJSENUTRS-UHFFFAOYSA-N 0 0 486.015 2.775 40 0 JFABRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711606 555589218 /nfs/dbraw/zinc/58/92/18/555589218.db2.gz UBQWFDGKHYUOPG-HXUWFJFHSA-N 0 0 467.613 2.900 40 0 JFABRN CC[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712411 555589747 /nfs/dbraw/zinc/58/97/47/555589747.db2.gz VOYMBHWMIGVHEH-HXUWFJFHSA-N 0 0 494.013 2.958 40 0 JFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712690 555589971 /nfs/dbraw/zinc/58/99/71/555589971.db2.gz JMRAVUCCVTULJL-HXUWFJFHSA-N 0 0 479.986 2.996 40 0 JFABRN CC[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714572 555592081 /nfs/dbraw/zinc/59/20/81/555592081.db2.gz SPVRMIXUQYCOLN-FQEVSTJZSA-N 0 0 494.013 2.958 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000020017869 555593562 /nfs/dbraw/zinc/59/35/62/555593562.db2.gz DGDIVCGSLXNRTI-MRXNPFEDSA-N 0 0 462.568 2.991 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3OC)CC2)cc1OC ZINC000020017882 555593613 /nfs/dbraw/zinc/59/36/13/555593613.db2.gz IGKFNUHBVBSJTJ-INIZCTEOSA-N 0 0 462.568 2.991 40 0 JFABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000020020635 555597591 /nfs/dbraw/zinc/59/75/91/555597591.db2.gz IVWUBELSLAPGOZ-MRXNPFEDSA-N 0 0 450.582 2.686 40 0 JFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3sc(C(=O)OC)cc3c2)cc1 ZINC000020021156 555598461 /nfs/dbraw/zinc/59/84/61/555598461.db2.gz HBRBOCYCAMONSJ-UHFFFAOYSA-N 0 0 478.548 2.630 40 0 JFABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1OC ZINC000020021315 555598505 /nfs/dbraw/zinc/59/85/05/555598505.db2.gz LMSBRVXVSZFOIR-UHFFFAOYSA-N 0 0 462.568 2.964 40 0 JFABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1OC ZINC000020021545 555598825 /nfs/dbraw/zinc/59/88/25/555598825.db2.gz JKVKUBBTMGGISJ-UHFFFAOYSA-N 0 0 450.557 2.642 40 0 JFABRN COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1OC ZINC000020023153 555601186 /nfs/dbraw/zinc/60/11/86/555601186.db2.gz ZXKWDWZOFFZPJC-HNNXBMFYSA-N 0 0 498.985 2.634 40 0 JFABRN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c(OC)c1OC ZINC000020034941 555609495 /nfs/dbraw/zinc/60/94/95/555609495.db2.gz VJCLDFSRDLGONP-UHFFFAOYSA-N 0 0 480.558 2.710 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(I)cc1 ZINC000010110253 555619951 /nfs/dbraw/zinc/61/99/51/555619951.db2.gz MKUYBTRAVGEYGS-UHFFFAOYSA-N 0 0 472.348 2.806 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000010119273 555630071 /nfs/dbraw/zinc/63/00/71/555630071.db2.gz UMRBRNOJHWNANG-UHFFFAOYSA-N 0 0 450.582 2.930 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020083353 555631325 /nfs/dbraw/zinc/63/13/25/555631325.db2.gz LJCZZONXXMNKGW-DEOSSOPVSA-N 0 0 491.571 2.829 40 0 JFABRN O=C(NCc1cccnc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000020104594 555637101 /nfs/dbraw/zinc/63/71/01/555637101.db2.gz XWMKPUFWXAAIGD-UHFFFAOYSA-N 0 0 452.374 2.702 40 0 JFABRN COc1ccc(CN(C)C(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1OC ZINC000020107066 555640631 /nfs/dbraw/zinc/64/06/31/555640631.db2.gz BVQOXVNJHQEABD-UHFFFAOYSA-N 0 0 471.373 2.891 40 0 JFABRN COc1ccc(CNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1OC ZINC000020108582 555643366 /nfs/dbraw/zinc/64/33/66/555643366.db2.gz OUTBHBLRZQHJDO-UHFFFAOYSA-N 0 0 457.346 2.549 40 0 JFABRN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1OC ZINC000020109102 555644536 /nfs/dbraw/zinc/64/45/36/555644536.db2.gz WGXQGKLXGJGLGX-OAQYLSRUSA-N 0 0 460.596 2.995 40 0 JFABRN COc1ccccc1NC(=O)N(CCN1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020109232 555645271 /nfs/dbraw/zinc/64/52/71/555645271.db2.gz MDGLEVFQSKDBLR-UHFFFAOYSA-N 0 0 496.564 2.920 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(Br)cc2)C1C(=O)c1ccc(OC)cc1 ZINC000010231886 555655350 /nfs/dbraw/zinc/65/53/50/555655350.db2.gz SBIUVXOKGOUZEZ-KRWDZBQOSA-N 0 0 470.283 2.769 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(F)cc2)C1C(=O)c1ccc(Br)cc1 ZINC000010231998 555655805 /nfs/dbraw/zinc/65/58/05/555655805.db2.gz JFGKRFHIECIRAL-MRXNPFEDSA-N 0 0 458.247 2.900 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccccc2[N+](=O)[O-])C1C(=O)c1ccc(Br)cc1 ZINC000010231996 555655822 /nfs/dbraw/zinc/65/58/22/555655822.db2.gz OOJXWJVXTDWTIR-MRXNPFEDSA-N 0 0 485.254 2.669 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccccc2F)C1C(=O)c1ccc(Br)cc1 ZINC000010232001 555655863 /nfs/dbraw/zinc/65/58/63/555655863.db2.gz MOXMSQWQOAEQEW-INIZCTEOSA-N 0 0 458.247 2.900 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)c1ccc(Br)cc1 ZINC000010231992 555655898 /nfs/dbraw/zinc/65/58/98/555655898.db2.gz PJRMFTFRYAEVQM-MRXNPFEDSA-N 0 0 485.254 2.669 40 0 JFABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccccc2Cl)C1C(=O)c1ccc(OC)c(OC)c1 ZINC000010232343 555656875 /nfs/dbraw/zinc/65/68/75/555656875.db2.gz AXISTTWJXXWNHC-GOSISDBHSA-N 0 0 455.858 2.669 40 0 JFABRN Cc1ccnc(SC[C@@H](C)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000010249104 555660291 /nfs/dbraw/zinc/66/02/91/555660291.db2.gz YCIDQLJCHCTKOA-HNNXBMFYSA-N 0 0 465.583 2.587 40 0 JFABRN COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020150578 555666675 /nfs/dbraw/zinc/66/66/75/555666675.db2.gz NKHFTZBGCLGXNM-YWNPBTLJSA-N 0 0 458.511 2.646 40 0 JFABRN Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(S(=O)(=O)c4cccs4)C2)[nH]c3=O)cc1 ZINC000013997831 555668026 /nfs/dbraw/zinc/66/80/26/555668026.db2.gz FWGWZVFLNHTPGR-INIZCTEOSA-N 0 0 470.580 2.501 40 0 JFABRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1OC ZINC000010303109 555678639 /nfs/dbraw/zinc/67/86/39/555678639.db2.gz NZTXYENPMRCMLR-UHFFFAOYSA-N 0 0 452.504 2.891 40 0 JFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000010323828 555683164 /nfs/dbraw/zinc/68/31/64/555683164.db2.gz ASVFLVIWORELDA-UHFFFAOYSA-N 0 0 479.549 2.723 40 0 JFABRN Cc1c(Cl)cccc1NC(=S)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000010339344 555693811 /nfs/dbraw/zinc/69/38/11/555693811.db2.gz MSNMUCHMSMZTMA-OAQYLSRUSA-N 0 0 486.041 2.885 40 0 JFABRN COc1ccc(N([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1Cl ZINC000010434505 555709327 /nfs/dbraw/zinc/70/93/27/555709327.db2.gz PWDGDJRAURLJPN-AWEZNQCLSA-N 0 0 470.975 2.879 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000010541946 555724947 /nfs/dbraw/zinc/72/49/47/555724947.db2.gz SHDCTIOCRHUJAS-UHFFFAOYSA-N 0 0 490.578 2.619 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000010542017 555725180 /nfs/dbraw/zinc/72/51/80/555725180.db2.gz RLHTYHMGQVYYEY-UHFFFAOYSA-N 0 0 480.970 2.956 40 0 JFABRN COC(=O)C1CCN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)CC1 ZINC000010542072 555725191 /nfs/dbraw/zinc/72/51/91/555725191.db2.gz KOJSHJBVVQXYAF-UHFFFAOYSA-N 0 0 457.763 2.824 40 0 JFABRN Cc1c(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000020236972 555730746 /nfs/dbraw/zinc/73/07/46/555730746.db2.gz GCRXXLXIOAGMBH-UHFFFAOYSA-N 0 0 493.383 2.652 40 0 JFABRN C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000010794127 555740670 /nfs/dbraw/zinc/74/06/70/555740670.db2.gz DRFBXFKDWCWREY-SPYBWZPUSA-N 0 0 472.991 2.601 40 0 JFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020245259 555741243 /nfs/dbraw/zinc/74/12/43/555741243.db2.gz QEEQXBULWXNZLN-OAHLLOKOSA-N 0 0 450.536 2.606 40 0 JFABRN Cn1c2c(c(=O)n(C)c1=O)n(Cc1ccc(F)cc1)c1nnc(-c3c(F)cccc3Cl)n12 ZINC000010969071 555750151 /nfs/dbraw/zinc/75/01/51/555750151.db2.gz BASBWAFJOWPDOG-UHFFFAOYSA-N 0 0 456.840 2.728 40 0 JFABRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000011244651 555769224 /nfs/dbraw/zinc/76/92/24/555769224.db2.gz MFNGCEZEFBZCAE-JXXFODFXSA-N 0 0 454.564 2.853 40 0 JFABRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000011244649 555769277 /nfs/dbraw/zinc/76/92/77/555769277.db2.gz MFNGCEZEFBZCAE-YRNRMSPPSA-N 0 0 454.564 2.853 40 0 JFABRN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000011244648 555769299 /nfs/dbraw/zinc/76/92/99/555769299.db2.gz MFNGCEZEFBZCAE-QINHECLXSA-N 0 0 454.564 2.853 40 0 JFABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)CC1 ZINC000014276752 555784539 /nfs/dbraw/zinc/78/45/39/555784539.db2.gz GHMVEUIVAIZBJC-UHFFFAOYSA-N 0 0 486.594 2.898 40 0 JFABRN COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000014291840 555793448 /nfs/dbraw/zinc/79/34/48/555793448.db2.gz SWAHBKGJGMRHJS-UHFFFAOYSA-N 0 0 461.559 2.971 40 0 JFABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000014412091 555811222 /nfs/dbraw/zinc/81/12/22/555811222.db2.gz OWTZBJKWEMZJFX-UHFFFAOYSA-N 0 0 465.959 2.526 40 0 JFABRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000014412300 555811415 /nfs/dbraw/zinc/81/14/15/555811415.db2.gz OFRGQVOTDRBLEB-UHFFFAOYSA-N 0 0 463.556 2.638 40 0 JFABRN O=C(OC[C@]1(O)[C@H](OC(=O)c2ccccc2)C=C[C@@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1 ZINC000014489555 555814959 /nfs/dbraw/zinc/81/49/59/555814959.db2.gz UEYWXBQABUNMMN-MUCKBHKGSA-N 0 0 488.492 2.956 40 0 biogenic,in-vitro JFABRN COC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)c2ccccc2O1 ZINC000014571701 555835096 /nfs/dbraw/zinc/83/50/96/555835096.db2.gz LLBLCYCPCHPKKT-OAQYLSRUSA-N 0 0 488.562 2.841 40 0 JFABRN CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1cc(I)c(O)c(OC)c1 ZINC000015016995 555858420 /nfs/dbraw/zinc/85/84/20/555858420.db2.gz ZONGGHWAAWPKHO-AWEZNQCLSA-N 0 0 460.268 2.929 40 0 JFABRN C[C@@H](c1nc2ccccc2c(N2CCOCC2)n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022053235 555866625 /nfs/dbraw/zinc/86/66/25/555866625.db2.gz WXQRIOOJBFHCLE-SFHVURJKSA-N 0 0 485.585 2.673 40 0 JFABRN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000015198695 555884056 /nfs/dbraw/zinc/88/40/56/555884056.db2.gz OFGVHCZRTLJQGO-WBVHZDCISA-N 0 0 468.572 2.507 40 0 JFABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccccc1Br ZINC000022228881 555887510 /nfs/dbraw/zinc/88/75/10/555887510.db2.gz SVEHVSJDWQJESQ-UHFFFAOYSA-N 0 0 494.411 2.921 40 0 JFABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000022228933 555887625 /nfs/dbraw/zinc/88/76/25/555887625.db2.gz PRBYWJFISRXGIZ-UHFFFAOYSA-N 0 0 480.384 2.531 40 0 JFABRN CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000022229038 555887897 /nfs/dbraw/zinc/88/78/97/555887897.db2.gz PHCXUUHRIRGKRW-UHFFFAOYSA-N 0 0 458.367 2.978 40 0 JFABRN CCOc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000022229180 555888135 /nfs/dbraw/zinc/88/81/35/555888135.db2.gz KLNGRCPIERRPCZ-UHFFFAOYSA-N 0 0 459.568 2.557 40 0 JFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000022229679 555888693 /nfs/dbraw/zinc/88/86/93/555888693.db2.gz DELHHPCOAOKKEE-IBGZPJMESA-N 0 0 462.568 2.533 40 0 JFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccc3OC)CC2)c1 ZINC000022230098 555888842 /nfs/dbraw/zinc/88/88/42/555888842.db2.gz LNENBENPQMCEDR-NRFANRHFSA-N 0 0 473.595 2.514 40 0 JFABRN CN(c1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)S(C)(=O)=O ZINC000022230839 555889466 /nfs/dbraw/zinc/88/94/66/555889466.db2.gz JBMQJCFQPODVIQ-UHFFFAOYSA-N 0 0 471.501 2.829 40 0 JFABRN CCN1CCN(C(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 ZINC000022232326 555891523 /nfs/dbraw/zinc/89/15/23/555891523.db2.gz TYRNQBSQLZACDG-UHFFFAOYSA-N 0 0 466.003 2.849 40 0 JFABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1 ZINC000022233311 555893399 /nfs/dbraw/zinc/89/33/99/555893399.db2.gz SRRPJRMFICJFPT-UHFFFAOYSA-N 0 0 496.029 2.524 40 0 JFABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCn2ccnc2)c(C)c1 ZINC000022246576 555896673 /nfs/dbraw/zinc/89/66/73/555896673.db2.gz CDMNJWKXIFFYBO-JOCHJYFZSA-N 0 0 454.596 2.904 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(CC)CC2)cc1Cl ZINC000022248209 555898692 /nfs/dbraw/zinc/89/86/92/555898692.db2.gz UPLQRJHPBLYAEV-OAQYLSRUSA-N 0 0 480.030 2.792 40 0 JFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N[C@@H]1CCCc2ccccc21 ZINC000022250475 555900371 /nfs/dbraw/zinc/90/03/71/555900371.db2.gz QWQRUQOPRAELFW-LJQANCHMSA-N 0 0 464.971 2.934 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1OC ZINC000022250459 555900400 /nfs/dbraw/zinc/90/04/00/555900400.db2.gz JVTZEQDQDRJZPI-OAHLLOKOSA-N 0 0 498.985 2.634 40 0 JFABRN CCN(c1cc(OC)c(OC)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000022252164 555900681 /nfs/dbraw/zinc/90/06/81/555900681.db2.gz ZIMAQYDONJZJMJ-UHFFFAOYSA-N 0 0 465.547 2.591 40 0 JFABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000015621345 555920059 /nfs/dbraw/zinc/92/00/59/555920059.db2.gz ISUQMYKLWSANON-AWEZNQCLSA-N 0 0 483.384 2.970 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000015638955 555921362 /nfs/dbraw/zinc/92/13/62/555921362.db2.gz VEIOPLUFGBOPLW-HXUWFJFHSA-N 0 0 485.606 2.943 40 0 JFABRN COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1S(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000015676500 555937918 /nfs/dbraw/zinc/93/79/18/555937918.db2.gz COVZNPKZSAQZBQ-FQEVSTJZSA-N 0 0 456.568 2.972 40 0 biogenic,in-vitro JFABRN CSc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NCc4cccs4)N3C2)c1 ZINC000015708009 555953232 /nfs/dbraw/zinc/95/32/32/555953232.db2.gz ZMAWRUUSYNYTIV-QKLQHJQFSA-N 0 0 487.651 2.629 40 0 biogenic,in-vitro JFABRN CCN1CCN([C@H](c2nnnn2CCc2ccc(OC)c(OC)c2)c2cc(OC)ccc2OC)CC1 ZINC000022930013 555983039 /nfs/dbraw/zinc/98/30/39/555983039.db2.gz AAOQJOQUJARRCS-VWLOTQADSA-N 0 0 496.612 2.677 40 0 JFABRN CCCn1c2nnc(SCC(=O)NC(C)C)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000023125570 556013741 /nfs/dbraw/zinc/01/37/41/556013741.db2.gz BQONTHSMNMRZIQ-UHFFFAOYSA-N 0 0 470.599 2.743 40 0 JFABRN CCn1c(CCC(=O)O[C@@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012548207 556025620 /nfs/dbraw/zinc/02/56/20/556025620.db2.gz BOOQKNQQCXROTL-KURKYZTESA-N 0 0 492.642 2.675 40 0 JFABRN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000023227887 556032352 /nfs/dbraw/zinc/03/23/52/556032352.db2.gz ZFTFVYMTZCSOKG-UHFFFAOYSA-N 0 0 459.637 2.908 40 0 JFABRN CCCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1N1CCCC1 ZINC000023227866 556032457 /nfs/dbraw/zinc/03/24/57/556032457.db2.gz DSASINQJSWDUGR-UHFFFAOYSA-N 0 0 470.639 2.933 40 0 JFABRN C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)NCCc4c[nH]c5ccccc45)[C@H]4C=C[C@@]3(O4)[C@@H]12 ZINC000015894177 556061373 /nfs/dbraw/zinc/06/13/73/556061373.db2.gz NQFKVZDAVZCBDX-VVQSGRSMSA-N 0 0 485.540 2.920 40 0 JFABRN CC1(C)OC[C@H](NC(=O)CCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)[C@H](c2ccccc2)O1 ZINC000012656196 556099070 /nfs/dbraw/zinc/09/90/70/556099070.db2.gz SDTJJRVVRLZXMW-NYWXEVPUSA-N 0 0 479.577 2.583 40 0 JFABRN Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[nH]3)CC2)cc1 ZINC000015987567 556101721 /nfs/dbraw/zinc/10/17/21/556101721.db2.gz XANKRDQXZRJKJN-UHFFFAOYSA-N 0 0 464.551 2.852 40 0 JFABRN CNS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1OC ZINC000016189402 556128309 /nfs/dbraw/zinc/12/83/09/556128309.db2.gz QHYBJFDSOKMMRI-UHFFFAOYSA-N 0 0 457.474 2.585 40 0 JFABRN CCN(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000016678350 556150638 /nfs/dbraw/zinc/15/06/38/556150638.db2.gz LBXFFNWGOMSGBG-UHFFFAOYSA-N 0 0 484.391 2.948 40 0 JFABRN O=C(Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1)N1CCCC1 ZINC000025151227 556192101 /nfs/dbraw/zinc/19/21/01/556192101.db2.gz LYCZGKLKNOLACA-FQEVSTJZSA-N 0 0 455.580 2.891 40 0 JFABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccc(OC)cc1OC ZINC000013030480 556225689 /nfs/dbraw/zinc/22/56/89/556225689.db2.gz GEOCDRBLZMZGKC-RUZDIDTESA-N 0 0 497.596 2.827 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(C)CC1)c1ccc(C)c(Cl)c1 ZINC000025767175 556232844 /nfs/dbraw/zinc/23/28/44/556232844.db2.gz PCAKVLWIKWQZSK-UHFFFAOYSA-N 0 0 466.003 2.935 40 0 JFABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000025767288 556233205 /nfs/dbraw/zinc/23/32/05/556233205.db2.gz TVOPOMVBVZMBPN-HSZRJFAPSA-N 0 0 455.624 2.982 40 0 JFABRN CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000026108655 556241673 /nfs/dbraw/zinc/24/16/73/556241673.db2.gz PWSCVTXMRWTSMS-UHFFFAOYSA-N 0 0 492.425 2.836 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000026109478 556241976 /nfs/dbraw/zinc/24/19/76/556241976.db2.gz IGYYHHNZINRFIP-HNNXBMFYSA-N 0 0 492.425 2.836 40 0 JFABRN COC(=O)[C@@H](C(=O)C(=O)N[C@@H]1Nc2ccc(C)cc2S1)c1nc2ccc(Cl)cc2[nH]c1=O ZINC000017216033 556242204 /nfs/dbraw/zinc/24/22/04/556242204.db2.gz VIXLQFGANPCWNB-VFNWGFHPSA-N 0 0 472.910 2.741 40 0 JFABRN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000026110007 556242265 /nfs/dbraw/zinc/24/22/65/556242265.db2.gz SZMNDCJXECNJQK-INIZCTEOSA-N 0 0 492.425 2.836 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(=O)N3CCCC3)C2)cc1 ZINC000026111208 556242839 /nfs/dbraw/zinc/24/28/39/556242839.db2.gz PMDUVOHMQNYGEX-SFHVURJKSA-N 0 0 471.579 2.971 40 0 JFABRN CNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1OC ZINC000026111929 556243607 /nfs/dbraw/zinc/24/36/07/556243607.db2.gz NTUXFWIDERASTD-UHFFFAOYSA-N 0 0 457.474 2.585 40 0 JFABRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)Oc2ccccc21 ZINC000026112661 556243910 /nfs/dbraw/zinc/24/39/10/556243910.db2.gz RKYLHIWUZCHIRW-NRFANRHFSA-N 0 0 469.519 2.765 40 0 JFABRN CSc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C(=O)N1CCOCC1 ZINC000026117383 556246997 /nfs/dbraw/zinc/24/69/97/556246997.db2.gz XJPKVRBGKCVWOJ-UHFFFAOYSA-N 0 0 479.599 2.531 40 0 JFABRN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c1 ZINC000026117409 556247005 /nfs/dbraw/zinc/24/70/05/556247005.db2.gz YYXGDQKOJQMICG-UHFFFAOYSA-N 0 0 464.565 2.777 40 0 JFABRN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000026391709 556253107 /nfs/dbraw/zinc/25/31/07/556253107.db2.gz REQJEFXJHUKWRA-AWEZNQCLSA-N 0 0 468.959 2.869 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064130 556261389 /nfs/dbraw/zinc/26/13/89/556261389.db2.gz JAZHEIISTITWBF-OAQYLSRUSA-N 0 0 468.558 2.982 40 0 JFABRN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000017636927 556263090 /nfs/dbraw/zinc/26/30/90/556263090.db2.gz AZDUHTWRIHCHCL-ZDUSSCGKSA-N 0 0 463.364 2.711 40 0 JFABRN O=C(Cc1ccccc1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)CC1 ZINC000013083778 556281096 /nfs/dbraw/zinc/28/10/96/556281096.db2.gz HHKVAMAENYFHLC-UHFFFAOYSA-N 0 0 496.589 2.706 40 0 JFABRN COCC(=O)N1CCC[C@H](c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)no2)C1 ZINC000013083956 556281380 /nfs/dbraw/zinc/28/13/80/556281380.db2.gz BNNNTVAQJDBEAH-IBGZPJMESA-N 0 0 470.551 2.568 40 0 JFABRN COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000013085119 556283225 /nfs/dbraw/zinc/28/32/25/556283225.db2.gz IEEARFQSHNJFPU-QFIPXVFZSA-N 0 0 457.958 2.817 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@H](Cc3ccccc3F)NC(C)=O)CC2)c1 ZINC000013085185 556283252 /nfs/dbraw/zinc/28/32/52/556283252.db2.gz WKZFDCDZKNCFRB-QFIPXVFZSA-N 0 0 456.518 2.694 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3F)CC2)cc1OC ZINC000013085445 556284009 /nfs/dbraw/zinc/28/40/09/556284009.db2.gz BXFYGZHODXSSFN-NRFANRHFSA-N 0 0 486.544 2.703 40 0 JFABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1OC ZINC000013085418 556284047 /nfs/dbraw/zinc/28/40/47/556284047.db2.gz VVXUEVZKTATOIT-NRFANRHFSA-N 0 0 468.554 2.564 40 0 JFABRN COc1cccc(NC(=O)N2CCC(NC(=O)[C@@H](Cc3ccc(OC)c(OC)c3)NC(C)=O)CC2)c1 ZINC000013085428 556284068 /nfs/dbraw/zinc/28/40/68/556284068.db2.gz QCMNHVAMRXGGQG-JOCHJYFZSA-N 0 0 498.580 2.572 40 0 JFABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)cc1OC ZINC000013085424 556284075 /nfs/dbraw/zinc/28/40/75/556284075.db2.gz MMKYSSBGYLAIBH-JOCHJYFZSA-N 0 0 482.581 2.872 40 0 JFABRN COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)cc(OC)c1 ZINC000013085506 556284354 /nfs/dbraw/zinc/28/43/54/556284354.db2.gz OFZHGGNRVJPPFX-DEOSSOPVSA-N 0 0 482.581 2.872 40 0 JFABRN O=C(CN(CCc1ccccc1)C(=O)CN1C(=O)COc2ccccc21)NCc1cccs1 ZINC000013086323 556285906 /nfs/dbraw/zinc/28/59/06/556285906.db2.gz YCYQDHGTDIZNTJ-UHFFFAOYSA-N 0 0 463.559 2.861 40 0 JFABRN CC[C@@H](C)N(C(=O)COC(=O)/C=C/c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000013104725 556304558 /nfs/dbraw/zinc/30/45/58/556304558.db2.gz FEVPCVQMMJEOIZ-GIYGXLGSSA-N 0 0 458.374 2.820 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cc(OC)ccc3OC)CC2)cc1 ZINC000018204251 556309620 /nfs/dbraw/zinc/30/96/20/556309620.db2.gz UJRXSLPGVHSPSL-MRXNPFEDSA-N 0 0 462.568 2.991 40 0 JFABRN Cc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1C ZINC000027914525 556309807 /nfs/dbraw/zinc/30/98/07/556309807.db2.gz ISVAPIYEPJWRHQ-UHFFFAOYSA-N 0 0 470.595 2.702 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000028207762 556318251 /nfs/dbraw/zinc/31/82/51/556318251.db2.gz CJDCTEIDOSIXMK-UHFFFAOYSA-N 0 0 459.612 2.749 40 0 JFABRN O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000013116830 556324648 /nfs/dbraw/zinc/32/46/48/556324648.db2.gz PIXQTRVQSZWOPZ-MRXNPFEDSA-N 0 0 468.514 2.683 40 0 JFABRN COCCn1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000019234224 556336660 /nfs/dbraw/zinc/33/66/60/556336660.db2.gz KOBQUOAYHFHSPW-DEOSSOPVSA-N 0 0 473.581 2.689 40 0 JFABRN O=C(COc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21)NC[C@@H]1CCCO1 ZINC000028616752 556336856 /nfs/dbraw/zinc/33/68/56/556336856.db2.gz JCGUZHOEJQQAKQ-HNNXBMFYSA-N 0 0 474.608 2.926 40 0 JFABRN O=C(COc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21)NC[C@H]1CCCO1 ZINC000028616754 556336906 /nfs/dbraw/zinc/33/69/06/556336906.db2.gz JCGUZHOEJQQAKQ-OAHLLOKOSA-N 0 0 474.608 2.926 40 0 JFABRN COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000019553450 556353738 /nfs/dbraw/zinc/35/37/38/556353738.db2.gz XLBJPZXKSGOWDV-PKTZIBPZSA-N 0 0 452.534 2.911 40 0 JFABRN COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1OC ZINC000019560059 556354092 /nfs/dbraw/zinc/35/40/92/556354092.db2.gz KSYDYKLUJCDBBH-XMMPIXPASA-N 0 0 488.548 2.879 40 0 JFABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3c(C)cc(C)cc3[nH]c2=O)N2CCN(C)CC2)cc1 ZINC000019569220 556355304 /nfs/dbraw/zinc/35/53/04/556355304.db2.gz XCQUOYGENPIIAF-XMMPIXPASA-N 0 0 473.581 2.525 40 0 JFABRN CCOC(=O)c1cc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)ccc1Cl ZINC000030855188 556379806 /nfs/dbraw/zinc/37/98/06/556379806.db2.gz XMIBRPUZQCEZKI-UHFFFAOYSA-N 0 0 457.911 2.907 40 0 JFABRN CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000019823034 556392733 /nfs/dbraw/zinc/39/27/33/556392733.db2.gz FDDCRFSJQHFTMG-JOCHJYFZSA-N 0 0 472.655 2.668 40 0 JFABRN COCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000019824193 556395131 /nfs/dbraw/zinc/39/51/31/556395131.db2.gz FJEPHVDFODNMMF-UHFFFAOYSA-N 0 0 460.644 2.580 40 0 JFABRN COc1ccc2[nH]c(=O)c(CN(C(=S)NCCCN3CCOCC3)C3CCCC3)cc2c1 ZINC000019824959 556396343 /nfs/dbraw/zinc/39/63/43/556396343.db2.gz LVDQNYGZRJWNJT-UHFFFAOYSA-N 0 0 458.628 2.878 40 0 JFABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1 ZINC000032125096 556428771 /nfs/dbraw/zinc/42/87/71/556428771.db2.gz CTIWNYZWKOTZGX-UHFFFAOYSA-N 0 0 476.624 2.682 40 0 JFABRN Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000032632906 556454959 /nfs/dbraw/zinc/45/49/59/556454959.db2.gz CLAVRCZQCGVPTH-SFHVURJKSA-N 0 0 454.552 2.524 40 0 JFABRN CCc1ccccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(OC)ccc1OC ZINC000032640033 556459739 /nfs/dbraw/zinc/45/97/39/556459739.db2.gz RYTQSOUTYOZUCY-QUCCMNQESA-N 0 0 489.619 2.980 40 0 JFABRN CCc1ccccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(OC)ccc1OC ZINC000032640034 556459747 /nfs/dbraw/zinc/45/97/47/556459747.db2.gz RYTQSOUTYOZUCY-ICSRJNTNSA-N 0 0 489.619 2.980 40 0 JFABRN C[C@H]1CCCC[C@@H]1n1c(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccnc1 ZINC000032910913 556535213 /nfs/dbraw/zinc/53/52/13/556535213.db2.gz OJVIPSHJPBMIRS-JQHSSLGASA-N 0 0 463.629 2.829 40 0 JFABRN COc1c2c(c(C)c3c1C[C@H]1[C@@](C)(C[C@H](O)[C@@]45O[C@@](O)(CC[C@]14C)OC5(C)C)O3)COC2=O ZINC000247985729 560036807 /nfs/dbraw/zinc/03/68/07/560036807.db2.gz ZFKOTULZHLMUJE-BJKSWIDMSA-N 0 0 460.523 2.759 40 0 biogenic,in-vitro JFABRN COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNC(=O)c4ccc5c(c4)OCO5)O3)no2)cc1 ZINC000077263266 560046587 /nfs/dbraw/zinc/04/65/87/560046587.db2.gz VMPMIXGOCXTEPV-MZLICYQSSA-N 0 0 466.490 2.960 40 0 biogenic,in-vitro JFABRN O=C(NC[C@H]1O[C@H](Cc2cc(COc3ccccc3)on2)CC[C@@H]1O)c1ccc2c(c1)OCO2 ZINC000077262930 560046589 /nfs/dbraw/zinc/04/65/89/560046589.db2.gz FQGPEDHAJKTDCU-ZCVJKFOLSA-N 0 0 466.490 2.863 40 0 biogenic,in-vitro JFABRN C[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000067898920 560049613 /nfs/dbraw/zinc/04/96/13/560049613.db2.gz HUXLCPYMVXFVOH-PNOUPAOHSA-N 0 0 499.696 2.622 40 0 biogenic,in-vitro JFABRN CN1C[C@H](NC(=O)Nc2cccnc2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O ZINC000096113388 560060486 /nfs/dbraw/zinc/06/04/86/560060486.db2.gz BLLIQSQHFDXKKL-OXQOHEQNSA-N 0 0 459.497 2.815 40 0 biogenic,in-vitro JFABRN CC(C)CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1 ZINC000072321432 560076495 /nfs/dbraw/zinc/07/64/95/560076495.db2.gz IMBOVALMVMQARW-IFMALSPDSA-N 0 0 450.532 2.684 40 0 biogenic,in-vitro JFABRN Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4ccc(F)cc4)[C@@H]3CO)cc2)nn1C ZINC000072321428 560076525 /nfs/dbraw/zinc/07/65/25/560076525.db2.gz ZZXDNPKGEBUAGU-FYYLOGMGSA-N 0 0 452.486 2.581 40 0 biogenic,in-vitro JFABRN CS(=O)(=O)c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1 ZINC000035425331 560080327 /nfs/dbraw/zinc/08/03/27/560080327.db2.gz LGBCRBIHMVDNIW-FQEVSTJZSA-N 0 0 469.567 2.709 40 0 biogenic,in-vitro JFABRN CC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@@H]2CCCO2)cc1 ZINC000008582585 562939821 /nfs/dbraw/zinc/93/98/21/562939821.db2.gz XYQBNPFBQQZANW-FQEVSTJZSA-N 0 0 498.557 2.872 40 0 JFABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CCSCC1)OCCO3 ZINC000008586234 562940878 /nfs/dbraw/zinc/94/08/78/562940878.db2.gz NHFBYJHPVMSGDX-FQEVSTJZSA-N 0 0 454.556 2.539 40 0 JFABRN Cc1ccc2cc(CN(CCCO)S(=O)(=O)c3cccc4nsnc43)c(=O)[nH]c2c1C ZINC000008586333 562940955 /nfs/dbraw/zinc/94/09/55/562940955.db2.gz OXRNAMYBKLFIET-UHFFFAOYSA-N 0 0 458.565 2.723 40 0 JFABRN CCOc1ccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000008676911 562950537 /nfs/dbraw/zinc/95/05/37/562950537.db2.gz LYSAYZQUELVCGD-HXUWFJFHSA-N 0 0 454.527 2.527 40 0 JFABRN CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc2c(c1)OCCO2 ZINC000008677130 562950611 /nfs/dbraw/zinc/95/06/11/562950611.db2.gz BLFMPSSMNVLEDT-UHFFFAOYSA-N 0 0 454.527 2.767 40 0 JFABRN COC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=S)Nc3cccc(C)c3C)CC2)cc1 ZINC000008687080 562953152 /nfs/dbraw/zinc/95/31/52/562953152.db2.gz VPKXHVANEILBNO-UHFFFAOYSA-N 0 0 454.552 2.570 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000008647974 569592553 /nfs/dbraw/zinc/59/25/53/569592553.db2.gz CAKJJEMTWZBJCF-UHFFFAOYSA-N 0 0 452.463 2.812 40 0 JFABRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)c1 ZINC000058974168 569602302 /nfs/dbraw/zinc/60/23/02/569602302.db2.gz MZQGGFIIGOEGHW-UHFFFAOYSA-N 0 0 467.566 2.913 40 0 JFABRN Cn1c2nc(SC3=NCCS3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000059596905 569607207 /nfs/dbraw/zinc/60/72/07/569607207.db2.gz IJBDRUAVALJAOQ-UHFFFAOYSA-N 0 0 456.380 2.984 40 0 JFABRN COc1ccccc1NC(=O)Cn1nc2n(c1=O)c1ccccc1c(=O)n2Cc1ccc(C)cc1 ZINC000064580772 569620512 /nfs/dbraw/zinc/62/05/12/569620512.db2.gz NNYPVBGBDXVXGD-UHFFFAOYSA-N 0 0 469.501 2.815 40 0 JFABRN COc1cc(NC(=O)Cn2nc3n(c2=O)c2ccccc2c(=O)n3Cc2ccccc2)cc(OC)c1 ZINC000064580740 569620616 /nfs/dbraw/zinc/62/06/16/569620616.db2.gz RBRGGGGUSKUZTH-UHFFFAOYSA-N 0 0 485.500 2.515 40 0 JFABRN COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3cccc(OC)c3)n2C)cc1 ZINC000033632283 569629190 /nfs/dbraw/zinc/62/91/90/569629190.db2.gz MVFQHDIVTHBEHX-UHFFFAOYSA-N 0 0 455.540 2.536 40 0 JFABRN O=C(C=Cc1ccccc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000033643852 569629434 /nfs/dbraw/zinc/62/94/34/569629434.db2.gz QKEDSYFDZPERLY-RMKNXTFCSA-N 0 0 481.578 2.668 40 0 JFABRN Cc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(CCC(C)C)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@]2(C)O4)no1 ZINC000033939895 569639237 /nfs/dbraw/zinc/63/92/37/569639237.db2.gz IPSHFRYOSMALDM-GQDRMJRRSA-N 0 0 484.597 2.957 40 0 JFABRN CC(=O)OC[C@@H]1O[C@@H](Oc2cc(C(C)C)ccc2C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000034738101 569654672 /nfs/dbraw/zinc/65/46/72/569654672.db2.gz XPSRJIDOWVLUTQ-ODTAKUCXSA-N 0 0 480.510 2.580 40 0 JFABRN COc1ccccc1OCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C ZINC000034880524 569668730 /nfs/dbraw/zinc/66/87/30/569668730.db2.gz YYDLPCZCLVVPTA-UHFFFAOYSA-N 0 0 453.568 2.844 40 0 JFABRN CC(C)OC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5cccs5)[C@H]34)[C@@H]2C1=O ZINC000035053081 569674122 /nfs/dbraw/zinc/67/41/22/569674122.db2.gz HBLVDLZQMWYJPL-RXPYQUJRSA-N 0 0 490.628 2.923 40 0 JFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)C2=O)o1 ZINC000035059901 569674157 /nfs/dbraw/zinc/67/41/57/569674157.db2.gz KQVVAQCYUFBEAX-AUWJEWJLSA-N 0 0 493.266 2.856 40 0 JFABRN CCCc1nc(C)c2c(=O)[nH]c(-c3cc(C(=O)CN4CCN(CC)CC4)ccc3OCC)nn12 ZINC000065749019 569676672 /nfs/dbraw/zinc/67/66/72/569676672.db2.gz XWSVFUHSNIIXMW-UHFFFAOYSA-N 0 0 466.586 2.564 40 0 in-vitro JFABRN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C2)cc1 ZINC000035311639 569680224 /nfs/dbraw/zinc/68/02/24/569680224.db2.gz SVQRZLLWTBAYCP-UHFFFAOYSA-N 0 0 451.614 2.571 40 0 JFABRN Cn1c2cccc3c2c(c1NC(=O)CN1CCN(c2ncccn2)CC1)-c1ccccc1C3=O ZINC000085409603 569710419 /nfs/dbraw/zinc/71/04/19/569710419.db2.gz ZRZKWPUHOIQBAL-UHFFFAOYSA-N 0 0 452.518 2.940 40 0 JFABRN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2c1cccc2C ZINC000035889627 569721573 /nfs/dbraw/zinc/72/15/73/569721573.db2.gz ORYPYSWFPIWMNC-JIFNARCPSA-N 0 0 479.558 2.891 40 0 JFABRN CCOC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000095115763 569722024 /nfs/dbraw/zinc/72/20/24/569722024.db2.gz WVCLOWQJSRKPPN-OYSWMMLKSA-N 0 0 495.963 2.633 40 0 JFABRN CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000095202033 569722066 /nfs/dbraw/zinc/72/20/66/569722066.db2.gz QAHPPMOIRKIBLA-RTWAWAEBSA-N 0 0 454.575 2.646 40 0 JFABRN COc1cccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)c4ccsc4)CC3)O2)c1 ZINC000096036652 569732231 /nfs/dbraw/zinc/73/22/31/569732231.db2.gz BCXKQHZXJMYHCN-FQEVSTJZSA-N 0 0 466.563 2.800 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000036107352 569756792 /nfs/dbraw/zinc/75/67/92/569756792.db2.gz DOMDTBHKVDNODW-SJLPKXTDSA-N 0 0 462.568 2.991 40 0 JFABRN O=S(=O)(c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1)N1CCCCC1 ZINC000036312395 569760286 /nfs/dbraw/zinc/76/02/86/569760286.db2.gz UPBKBMOQEKVPTK-UHFFFAOYSA-N 0 0 455.646 2.500 40 0 JFABRN CC(C)(C)OC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@H]1CC(=O)NC1=O ZINC000100497555 569762450 /nfs/dbraw/zinc/76/24/50/569762450.db2.gz PXWUZEMOQXMNKP-RTWAWAEBSA-N 0 0 480.517 2.667 40 0 JFABRN CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@H]1CC(=O)NC1=O ZINC000100497646 569762494 /nfs/dbraw/zinc/76/24/94/569762494.db2.gz NEDBDIVFRQKONM-PMACEKPBSA-N 0 0 468.531 2.605 40 0 JFABRN COC(=O)C1=C(NCCc2ccc(OC)c(OC)c2)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccccc1 ZINC000036553470 569776433 /nfs/dbraw/zinc/77/64/33/569776433.db2.gz CHCBNBXOVYBRHA-GYZWWNDVSA-N 0 0 483.561 2.991 40 0 JFABRN CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1OC ZINC000101164132 569785290 /nfs/dbraw/zinc/78/52/90/569785290.db2.gz JKIYRRNRPORNSE-UHFFFAOYSA-N 0 0 455.540 2.976 40 0 JFABRN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)Nc3ccccc3F)CC2)cc1 ZINC000101465294 569798606 /nfs/dbraw/zinc/79/86/06/569798606.db2.gz ZLXBGTXZYQGBNQ-HDICACEKSA-N 0 0 461.559 2.974 40 0 JFABRN C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)NCCc1ccccc1 ZINC000101466905 569798683 /nfs/dbraw/zinc/79/86/83/569798683.db2.gz ABASSXYAPCMPJL-ILWGZMRPSA-N 0 0 471.623 2.635 40 0 JFABRN COc1cccc(C(=O)[C@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)c1 ZINC000101479284 569799081 /nfs/dbraw/zinc/79/90/81/569799081.db2.gz GUNZDWGYZPJSTE-JGSPDANKSA-N 0 0 458.514 2.942 40 0 JFABRN C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)NCc1ccco1 ZINC000101488415 569799530 /nfs/dbraw/zinc/79/95/30/569799530.db2.gz MOZRCHHXSWGFAM-YESZJQIVSA-N 0 0 482.002 2.839 40 0 JFABRN COc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(Br)cc1F ZINC000038198247 569800697 /nfs/dbraw/zinc/80/06/97/569800697.db2.gz LCHIYMRWDYFUMD-OAHLLOKOSA-N 0 0 490.289 2.790 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1 ZINC000038828424 569808216 /nfs/dbraw/zinc/80/82/16/569808216.db2.gz RKQHXCRYWBNWQF-DCGLDWPTSA-N 0 0 452.515 2.560 40 0 JFABRN CCN1C(=O)/C(=C/c2cn(CC(=O)NCCOC)c3ccc(Br)cc23)N(C)C1=S ZINC000039556445 569810493 /nfs/dbraw/zinc/81/04/93/569810493.db2.gz SNXQZSKEZZDJMD-MFOYZWKCSA-N 0 0 479.400 2.586 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1C ZINC000039986271 569813180 /nfs/dbraw/zinc/81/31/80/569813180.db2.gz NLTYXALRSFRIQI-UHFFFAOYSA-N 0 0 494.566 2.847 40 0 JFABRN CCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1OC ZINC000102467845 569813384 /nfs/dbraw/zinc/81/33/84/569813384.db2.gz QJWPFAYMZASCFY-YBFXNURJSA-N 0 0 455.923 2.710 40 0 JFABRN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC(=O)N3)C1 ZINC000040388819 569824686 /nfs/dbraw/zinc/82/46/86/569824686.db2.gz IHEWOQODZMQRBP-RISCZKNCSA-N 0 0 465.432 2.969 40 0 JFABRN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)CC(=O)N3)C1 ZINC000040388843 569824758 /nfs/dbraw/zinc/82/47/58/569824758.db2.gz HLKKPCNYGUNTCQ-RISCZKNCSA-N 0 0 465.432 2.969 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 ZINC000040399649 569826765 /nfs/dbraw/zinc/82/67/65/569826765.db2.gz FUCIFRXDJVDKBM-INIZCTEOSA-N 0 0 450.430 2.676 40 0 JFABRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 ZINC000040399647 569826793 /nfs/dbraw/zinc/82/67/93/569826793.db2.gz FUCIFRXDJVDKBM-MRXNPFEDSA-N 0 0 450.430 2.676 40 0 JFABRN COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N2 ZINC000040400033 569827124 /nfs/dbraw/zinc/82/71/24/569827124.db2.gz HSRDHZPSNHWQRH-OAHLLOKOSA-N 0 0 462.466 2.545 40 0 JFABRN COc1ccc(OCC(=O)NCc2cc(=O)n3nc(-c4ccc(OC)cc4)sc3n2)cc1 ZINC000041077101 569835284 /nfs/dbraw/zinc/83/52/84/569835284.db2.gz PQBNODHBKWZFHN-UHFFFAOYSA-N 0 0 452.492 2.530 40 0 JFABRN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O ZINC000103524410 569835763 /nfs/dbraw/zinc/83/57/63/569835763.db2.gz ORYPYSWFPIWMNC-UCBOFMOASA-N 0 0 479.558 2.891 40 0 JFABRN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1OC ZINC000104126370 569841662 /nfs/dbraw/zinc/84/16/62/569841662.db2.gz CTPICXKAIHYEHS-DBOLQNLKSA-N 0 0 465.893 2.954 40 0 JFABRN COC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC ZINC000107776844 569857342 /nfs/dbraw/zinc/85/73/42/569857342.db2.gz YAPNJQLWMAAOEG-RQZCQDPDSA-N 0 0 461.448 2.863 40 0 JFABRN CCn1c(SCC(=O)Nc2ccccc2OC)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000107958621 569858085 /nfs/dbraw/zinc/85/80/85/569858085.db2.gz AAKGKWPDAYWHQD-GOSISDBHSA-N 0 0 485.566 2.509 40 0 JFABRN CCc1ccccc1NC(=O)CSc1nnc([C@H](CO)NC(=O)c2ccc(OC)cc2)n1C ZINC000107987991 569858208 /nfs/dbraw/zinc/85/82/08/569858208.db2.gz JQXAFOCSIJORAR-IBGZPJMESA-N 0 0 469.567 2.580 40 0 JFABRN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000108936367 569859954 /nfs/dbraw/zinc/85/99/54/569859954.db2.gz ZPBVMYRKUNMFOZ-IBGZPJMESA-N 0 0 485.566 2.509 40 0 JFABRN CN1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccc(Br)cc23)N(C)C1=S ZINC000111673232 569861050 /nfs/dbraw/zinc/86/10/50/569861050.db2.gz FFGJQXHMKUHCCD-OADJVDCOSA-N 0 0 491.411 2.729 40 0 JFABRN Cc1c(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000113965348 569862677 /nfs/dbraw/zinc/86/26/77/569862677.db2.gz NUAAXASSXYZWCJ-UHFFFAOYSA-N 0 0 478.521 2.948 40 0 JFABRN CNC(=O)c1cccc(-c2ccc3c(n2)nc(N2CCOC[C@H]2C)nc3N2CCOC[C@@H]2C)c1 ZINC000115560110 569862757 /nfs/dbraw/zinc/86/27/57/569862757.db2.gz JUSFANSTBFGBAF-DLBZAZTESA-N 0 0 462.554 2.502 40 0 in-vitro JFABRN CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](OC(C)=O)C[C@]12O ZINC000118935759 569864132 /nfs/dbraw/zinc/86/41/32/569864132.db2.gz CCRRWNAJAQSPHF-SABJEDEBSA-N 0 0 450.572 2.937 40 0 JFABRN COC(=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000123310468 569864339 /nfs/dbraw/zinc/86/43/39/569864339.db2.gz ISPHXQUMAWDLMY-QTSKPYGHSA-N 0 0 464.555 2.586 40 0 JFABRN COc1ccc(NC(=O)[C@@H](NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)C(C)C)cc1OC ZINC000136563488 569864686 /nfs/dbraw/zinc/86/46/86/569864686.db2.gz HXXRRFGSKUGTEO-MFEFFIJZSA-N 0 0 468.554 2.658 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)c1 ZINC000138581941 569865968 /nfs/dbraw/zinc/86/59/68/569865968.db2.gz FNUKXAHIDFBPHH-MRXNPFEDSA-N 0 0 488.338 2.741 40 0 JFABRN CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3OCC)CC2=O)cc1 ZINC000138582569 569866026 /nfs/dbraw/zinc/86/60/26/569866026.db2.gz ZFVWFTYBERXYAX-KRWDZBQOSA-N 0 0 454.479 2.797 40 0 JFABRN C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC000138711787 569866301 /nfs/dbraw/zinc/86/63/01/569866301.db2.gz SWRBLJYPKRDBDT-BBRMVZONSA-N 0 0 478.332 2.907 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2C)CC1=O ZINC000138781382 569866377 /nfs/dbraw/zinc/86/63/77/569866377.db2.gz SYOPMDVOHICIGO-HNNXBMFYSA-N 0 0 488.338 2.741 40 0 JFABRN COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 ZINC000139009528 569866811 /nfs/dbraw/zinc/86/68/11/569866811.db2.gz WKTIWFNYQIAQHB-LBPRGKRZSA-N 0 0 480.304 2.677 40 0 JFABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)c(C)c1 ZINC000139064821 569866901 /nfs/dbraw/zinc/86/69/01/569866901.db2.gz XKEOTFCFBXOXSE-MRXNPFEDSA-N 0 0 488.338 2.741 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(OC)c3)CC2=O)cc1 ZINC000139087947 569867077 /nfs/dbraw/zinc/86/70/77/569867077.db2.gz ONRYWPWKHJBKCM-QGZVFWFLSA-N 0 0 454.479 2.797 40 0 JFABRN COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000139113416 569867205 /nfs/dbraw/zinc/86/72/05/569867205.db2.gz UTOUPESZZRIIIZ-LBPRGKRZSA-N 0 0 480.304 2.677 40 0 JFABRN O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000144004868 569867709 /nfs/dbraw/zinc/86/77/09/569867709.db2.gz AURILOUBZCPVJZ-MJGOQNOKSA-N 0 0 467.385 2.634 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(c2cccnc2)C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@@]3(C)C=C[C@@]12O3 ZINC000169301310 569868177 /nfs/dbraw/zinc/86/81/77/569868177.db2.gz JSWKVDFMYAQIAI-SIBACELJSA-N 0 0 478.524 2.819 40 0 JFABRN CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000169299360 569868188 /nfs/dbraw/zinc/86/81/88/569868188.db2.gz SXLYGBGVPSJFHR-BILGYAHESA-N 0 0 480.517 2.716 40 0 JFABRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(O)c(OC)c2)C1=O ZINC000205696109 569874113 /nfs/dbraw/zinc/87/41/13/569874113.db2.gz TVKNNSBUCLKGOQ-IZZDOVSWSA-N 0 0 463.249 2.605 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222370322 569883964 /nfs/dbraw/zinc/88/39/64/569883964.db2.gz JLFMHKGRVOFMPO-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222382919 569884002 /nfs/dbraw/zinc/88/40/02/569884002.db2.gz IKGDKTNJTKJBOH-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222392159 569884081 /nfs/dbraw/zinc/88/40/81/569884081.db2.gz RFSSZABUZAUCEM-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222392348 569884099 /nfs/dbraw/zinc/88/40/99/569884099.db2.gz WJRGIXUOWDPLEQ-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222415294 569884192 /nfs/dbraw/zinc/88/41/92/569884192.db2.gz LLYIPLCMGHNWAE-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222415828 569884204 /nfs/dbraw/zinc/88/42/04/569884204.db2.gz UZDFBVNCGIANDB-MRXNPFEDSA-N 0 0 482.002 2.586 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222439742 569884355 /nfs/dbraw/zinc/88/43/55/569884355.db2.gz NXIJVYSEMAZFFJ-QHCPKHFHSA-N 0 0 488.654 2.940 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222446986 569884409 /nfs/dbraw/zinc/88/44/09/569884409.db2.gz ASDLQSWWGSXOSK-BHIFYINESA-N 0 0 453.583 2.968 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222462138 569884450 /nfs/dbraw/zinc/88/44/50/569884450.db2.gz GZGREGXOXPGTNI-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222469219 569884495 /nfs/dbraw/zinc/88/44/95/569884495.db2.gz UMFHHBYDIUENPE-HNNXBMFYSA-N 0 0 469.966 2.717 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222486691 569884760 /nfs/dbraw/zinc/88/47/60/569884760.db2.gz OSXJFTPJCPHXGY-QHCPKHFHSA-N 0 0 488.654 2.940 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222503997 569884993 /nfs/dbraw/zinc/88/49/93/569884993.db2.gz KMYNFENYXHQDQL-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000222509002 569885016 /nfs/dbraw/zinc/88/50/16/569885016.db2.gz LSOPPHVKHCNMII-KRWDZBQOSA-N 0 0 466.003 2.886 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222531496 569885190 /nfs/dbraw/zinc/88/51/90/569885190.db2.gz AXGLFTFXOFSWOS-LJQANCHMSA-N 0 0 491.997 2.817 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)s1 ZINC000222540655 569885371 /nfs/dbraw/zinc/88/53/71/569885371.db2.gz VUTUISBXMAYZTC-UHFFFAOYSA-N 0 0 479.005 2.642 40 0 JFABRN Cc1nc(SCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)n[nH]1 ZINC000222552754 569885730 /nfs/dbraw/zinc/88/57/30/569885730.db2.gz AGJSCZKDAMNMBP-GOSISDBHSA-N 0 0 459.597 2.576 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c1 ZINC000222566366 569885908 /nfs/dbraw/zinc/88/59/08/569885908.db2.gz UCABEZZSCOPZNW-LJQANCHMSA-N 0 0 493.651 2.868 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 ZINC000222570511 569885996 /nfs/dbraw/zinc/88/59/96/569885996.db2.gz UEHSKRHVWYGANB-SJLPKXTDSA-N 0 0 462.568 2.991 40 0 JFABRN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000222574544 569886092 /nfs/dbraw/zinc/88/60/92/569886092.db2.gz GWZMQGGEAGNPPH-SJLPKXTDSA-N 0 0 462.568 2.991 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222591912 569886486 /nfs/dbraw/zinc/88/64/86/569886486.db2.gz VOTPXKJXGIYHSV-WIYYLYMNSA-N 0 0 485.606 2.596 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000222601500 569886706 /nfs/dbraw/zinc/88/67/06/569886706.db2.gz WJGPKDLADBMNGU-KRWDZBQOSA-N 0 0 463.575 2.878 40 0 JFABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCCSc2n[nH]c(C)n2)CC1 ZINC000222614179 569886966 /nfs/dbraw/zinc/88/69/66/569886966.db2.gz HIBZPOUSLYWJSF-UHFFFAOYSA-N 0 0 481.644 2.554 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222613671 569886972 /nfs/dbraw/zinc/88/69/72/569886972.db2.gz CQZORRUEDRDNDP-DENIHFKCSA-N 0 0 499.633 2.986 40 0 JFABRN COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1 ZINC000222619196 569887083 /nfs/dbraw/zinc/88/70/83/569887083.db2.gz PKAWXAURCAXDAE-UHFFFAOYSA-N 0 0 450.532 2.902 40 0 JFABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)C1 ZINC000222617547 569887093 /nfs/dbraw/zinc/88/70/93/569887093.db2.gz NOUHTTRHTHQVFY-LJQANCHMSA-N 0 0 471.579 2.898 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000222624846 569887201 /nfs/dbraw/zinc/88/72/01/569887201.db2.gz WKCMBTINJBXKRE-QGZVFWFLSA-N 0 0 478.542 2.979 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222626921 569887226 /nfs/dbraw/zinc/88/72/26/569887226.db2.gz GBRKGZLKEZQEMO-QGZVFWFLSA-N 0 0 471.554 2.763 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222628064 569887302 /nfs/dbraw/zinc/88/73/02/569887302.db2.gz BWFJJOLOWLMRCD-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222628151 569887311 /nfs/dbraw/zinc/88/73/11/569887311.db2.gz IQCWNBVAIMQSFK-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000222641576 569887569 /nfs/dbraw/zinc/88/75/69/569887569.db2.gz WBBKGZJCUNIXTB-KRWDZBQOSA-N 0 0 463.575 2.924 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)s2)cc1 ZINC000222645917 569887662 /nfs/dbraw/zinc/88/76/62/569887662.db2.gz AQETWFKJWOTWGE-UHFFFAOYSA-N 0 0 450.517 2.753 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c2ccccc2O1 ZINC000222652780 569887769 /nfs/dbraw/zinc/88/77/69/569887769.db2.gz WDBUQEONUMMBLL-QHCPKHFHSA-N 0 0 496.541 2.511 40 0 JFABRN Cc1nc(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)n[nH]1 ZINC000222673451 569888230 /nfs/dbraw/zinc/88/82/30/569888230.db2.gz HTZUWGYMOYMZHP-UHFFFAOYSA-N 0 0 461.569 2.510 40 0 JFABRN C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222707444 569889146 /nfs/dbraw/zinc/88/91/46/569889146.db2.gz WOWQLGQGKWTZQB-NRFANRHFSA-N 0 0 494.617 2.577 40 0 JFABRN C[C@@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222707137 569889147 /nfs/dbraw/zinc/88/91/47/569889147.db2.gz GPQDTHSHBQDKLJ-FQEVSTJZSA-N 0 0 483.590 2.775 40 0 JFABRN C[C@H](C(=O)NCc1cccnc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222707669 569889232 /nfs/dbraw/zinc/88/92/32/569889232.db2.gz YWKBDVPCPUJFLG-OAQYLSRUSA-N 0 0 494.617 2.577 40 0 JFABRN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc2c(c1)OCCO2 ZINC000222722907 569889558 /nfs/dbraw/zinc/88/95/58/569889558.db2.gz NMAJEDAHAYQQGQ-HNNXBMFYSA-N 0 0 479.986 2.538 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2ccccc2O1 ZINC000222750274 569890262 /nfs/dbraw/zinc/89/02/62/569890262.db2.gz DHIDUWIZYFOHOY-QFIPXVFZSA-N 0 0 488.562 2.597 40 0 JFABRN COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc(OC)c1OC ZINC000222758668 569890461 /nfs/dbraw/zinc/89/04/61/569890461.db2.gz ANDVKBSYCCZYHG-UHFFFAOYSA-N 0 0 494.610 2.993 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222797252 569891302 /nfs/dbraw/zinc/89/13/02/569891302.db2.gz GZFZDWCVMKADTG-INIZCTEOSA-N 0 0 482.002 2.586 40 0 JFABRN C[C@H](C(=O)NCCC1=CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000222816120 569891795 /nfs/dbraw/zinc/89/17/95/569891795.db2.gz CAKSGSFRMNXMSB-QGZVFWFLSA-N 0 0 470.035 2.955 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000222819877 569891917 /nfs/dbraw/zinc/89/19/17/569891917.db2.gz DWQDZJXOLRHDCB-NRFANRHFSA-N 0 0 493.601 2.932 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222820779 569891944 /nfs/dbraw/zinc/89/19/44/569891944.db2.gz KXSAFRBYHFTOEL-INIZCTEOSA-N 0 0 497.564 2.683 40 0 JFABRN COc1ccc(NC(=O)COc2cccc3c2CCCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000222832371 569892176 /nfs/dbraw/zinc/89/21/76/569892176.db2.gz QPEWJRSBORTTBX-UHFFFAOYSA-N 0 0 460.552 2.612 40 0 JFABRN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCc2cc(Br)ccc21 ZINC000222890816 569893740 /nfs/dbraw/zinc/89/37/40/569893740.db2.gz GCYAYYRJZALDCL-UHFFFAOYSA-N 0 0 479.396 2.992 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222896968 569893828 /nfs/dbraw/zinc/89/38/28/569893828.db2.gz OUQASFYUGYWNGP-INIZCTEOSA-N 0 0 489.569 2.692 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000222895931 569893853 /nfs/dbraw/zinc/89/38/53/569893853.db2.gz XCGYREZHOZFVDT-OAHLLOKOSA-N 0 0 486.421 2.965 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000222901829 569893920 /nfs/dbraw/zinc/89/39/20/569893920.db2.gz PBXRNVAXVNMDLU-INIZCTEOSA-N 0 0 451.976 2.659 40 0 JFABRN COC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)c2ccccc2O1 ZINC000222907921 569894107 /nfs/dbraw/zinc/89/41/07/569894107.db2.gz UUOZPCCCXITOAV-JOCHJYFZSA-N 0 0 496.541 2.755 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)c2ccccc2O1 ZINC000222907855 569894108 /nfs/dbraw/zinc/89/41/08/569894108.db2.gz UUOZPCCCXITOAV-QFIPXVFZSA-N 0 0 496.541 2.755 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000222912274 569894134 /nfs/dbraw/zinc/89/41/34/569894134.db2.gz RKBZLZBGQBZADU-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222913279 569894232 /nfs/dbraw/zinc/89/42/32/569894232.db2.gz PCADSPYGMXJOQU-HXUWFJFHSA-N 0 0 459.612 2.747 40 0 JFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222915096 569894266 /nfs/dbraw/zinc/89/42/66/569894266.db2.gz VCTBCWWLTRAPKL-KRWDZBQOSA-N 0 0 481.565 2.717 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222917537 569894341 /nfs/dbraw/zinc/89/43/41/569894341.db2.gz CFDXSSTUUCXXPE-CQSZACIVSA-N 0 0 487.956 2.938 40 0 JFABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222917918 569894380 /nfs/dbraw/zinc/89/43/80/569894380.db2.gz BSTSLIDAYBJDCE-QFIPXVFZSA-N 0 0 477.602 2.966 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222937914 569894939 /nfs/dbraw/zinc/89/49/39/569894939.db2.gz TUOQRNYIHPJGKV-LJQANCHMSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222949930 569895244 /nfs/dbraw/zinc/89/52/44/569895244.db2.gz GJALDTKWYUJWGK-HXUWFJFHSA-N 0 0 489.594 2.515 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000222952391 569895311 /nfs/dbraw/zinc/89/53/11/569895311.db2.gz TUPKLOYSZXWIDQ-QGZVFWFLSA-N 0 0 463.575 2.708 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000222956867 569895428 /nfs/dbraw/zinc/89/54/28/569895428.db2.gz XFCIQCOYPIRSBS-GOSISDBHSA-N 0 0 463.575 2.762 40 0 JFABRN COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000222960778 569895499 /nfs/dbraw/zinc/89/54/99/569895499.db2.gz ZYWMHDADOVCULQ-GCJKJVERSA-N 0 0 470.566 2.967 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222972599 569895801 /nfs/dbraw/zinc/89/58/01/569895801.db2.gz YIWUIVWRQASBAY-SFHVURJKSA-N 0 0 463.575 2.925 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222976704 569895944 /nfs/dbraw/zinc/89/59/44/569895944.db2.gz YLFQMSDMOLICTO-FQEVSTJZSA-N 0 0 474.627 2.633 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000222977939 569895961 /nfs/dbraw/zinc/89/59/61/569895961.db2.gz NWTNEDPRNUSQKU-SFHVURJKSA-N 0 0 463.575 2.780 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222980706 569895986 /nfs/dbraw/zinc/89/59/86/569895986.db2.gz MKDREHQTPYQFJN-LJQANCHMSA-N 0 0 492.617 2.772 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222984012 569896164 /nfs/dbraw/zinc/89/61/64/569896164.db2.gz YMEHBLDSIFBQDZ-FQEVSTJZSA-N 0 0 459.612 2.949 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223028432 569897175 /nfs/dbraw/zinc/89/71/75/569897175.db2.gz AYOYEFQEVLZHKL-OAQYLSRUSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223028894 569897196 /nfs/dbraw/zinc/89/71/96/569897196.db2.gz GSSPUSQKUIPPHF-JOCHJYFZSA-N 0 0 459.612 2.931 40 0 JFABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000223028853 569897213 /nfs/dbraw/zinc/89/72/13/569897213.db2.gz RTSTUBJHLLREOP-QGZVFWFLSA-N 0 0 482.562 2.813 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223042084 569897564 /nfs/dbraw/zinc/89/75/64/569897564.db2.gz OEYMRZAMVVKXNW-KRWDZBQOSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223075741 569898657 /nfs/dbraw/zinc/89/86/57/569898657.db2.gz LMBMFUYJERONBE-IBGZPJMESA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223074973 569898669 /nfs/dbraw/zinc/89/86/69/569898669.db2.gz XCVZIEZFEHCHHT-OAQYLSRUSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223079205 569898827 /nfs/dbraw/zinc/89/88/27/569898827.db2.gz JCFDUGCSAUATKO-OAQYLSRUSA-N 0 0 459.612 2.931 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223099091 569899381 /nfs/dbraw/zinc/89/93/81/569899381.db2.gz JGKVMYDPCMHSOT-JOCHJYFZSA-N 0 0 459.612 2.949 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223103813 569899536 /nfs/dbraw/zinc/89/95/36/569899536.db2.gz FTSHXCJRNFFOMB-ZWKOTPCHSA-N 0 0 493.601 2.932 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223108416 569899639 /nfs/dbraw/zinc/89/96/39/569899639.db2.gz BILPJSYVBKTGQO-SFHVURJKSA-N 0 0 477.602 2.966 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223110809 569899699 /nfs/dbraw/zinc/89/96/99/569899699.db2.gz ZOAOBMPJYFIUHK-QZTJIDSGSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223115636 569899864 /nfs/dbraw/zinc/89/98/64/569899864.db2.gz XNGSOXDNTQPXBP-FOIQADDNSA-N 0 0 468.597 2.521 40 0 JFABRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223115693 569899884 /nfs/dbraw/zinc/89/98/84/569899884.db2.gz XNGSOXDNTQPXBP-QRWLVFNGSA-N 0 0 468.597 2.521 40 0 JFABRN Cc1cccc(N(CCCC(=O)NCc2ccccc2CN2CCOCC2)S(C)(=O)=O)c1C ZINC000223118456 569899962 /nfs/dbraw/zinc/89/99/62/569899962.db2.gz HCNZJFPXMRFQJC-UHFFFAOYSA-N 0 0 473.639 2.998 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223122983 569900159 /nfs/dbraw/zinc/90/01/59/569900159.db2.gz UKOHVBXHQFPIHB-SESVDKBCSA-N 0 0 453.583 2.702 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223123611 569900176 /nfs/dbraw/zinc/90/01/76/569900176.db2.gz SLXQVNVMLAXVFH-LJQANCHMSA-N 0 0 469.966 2.799 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223125298 569900248 /nfs/dbraw/zinc/90/02/48/569900248.db2.gz OFXQSGONPOBYDQ-IBGZPJMESA-N 0 0 499.633 2.986 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223129883 569900373 /nfs/dbraw/zinc/90/03/73/569900373.db2.gz FOJXIPPBUQFZQQ-IBGZPJMESA-N 0 0 469.966 2.799 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223129224 569900384 /nfs/dbraw/zinc/90/03/84/569900384.db2.gz ZGYPOWWJXJERTO-GOSISDBHSA-N 0 0 482.002 2.668 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223131333 569900495 /nfs/dbraw/zinc/90/04/95/569900495.db2.gz IKLISQHUXFHDPK-DLBZAZTESA-N 0 0 489.569 2.692 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1N1C(=O)CCC1=O ZINC000223133281 569900568 /nfs/dbraw/zinc/90/05/68/569900568.db2.gz KWDHGEPZVREGKL-UHFFFAOYSA-N 0 0 490.925 2.873 40 0 JFABRN COC(=O)CSc1nnc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)s1 ZINC000223154970 569901376 /nfs/dbraw/zinc/90/13/76/569901376.db2.gz GDFZPXNEEWKAKN-UHFFFAOYSA-N 0 0 478.577 2.881 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223165222 569901654 /nfs/dbraw/zinc/90/16/54/569901654.db2.gz DZWAQGWWPMOVKK-HXUWFJFHSA-N 0 0 466.003 2.968 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223167975 569901857 /nfs/dbraw/zinc/90/18/57/569901857.db2.gz YPONBJDCIXUUGR-GOSISDBHSA-N 0 0 469.966 2.799 40 0 JFABRN COc1ccc(OC[C@@H](C)NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000223170397 569901885 /nfs/dbraw/zinc/90/18/85/569901885.db2.gz UBSHUJFALVIBQY-QGZVFWFLSA-N 0 0 450.557 2.834 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223169847 569901887 /nfs/dbraw/zinc/90/18/87/569901887.db2.gz JLBWQECSSZGKDC-MRXNPFEDSA-N 0 0 491.997 2.818 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223173430 569901997 /nfs/dbraw/zinc/90/19/97/569901997.db2.gz DOKYAIVYXWRDFV-GOSISDBHSA-N 0 0 482.002 2.668 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000223173220 569902027 /nfs/dbraw/zinc/90/20/27/569902027.db2.gz SXUBFQYFFIUBLP-JOCHJYFZSA-N 0 0 458.580 2.843 40 0 JFABRN COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223181031 569902317 /nfs/dbraw/zinc/90/23/17/569902317.db2.gz HYGNQCNXGZWWCY-PKTZIBPZSA-N 0 0 457.644 2.841 40 0 JFABRN COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C ZINC000223181087 569902405 /nfs/dbraw/zinc/90/24/05/569902405.db2.gz HYGNQCNXGZWWCY-XZOQPEGZSA-N 0 0 457.644 2.841 40 0 JFABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223184904 569902579 /nfs/dbraw/zinc/90/25/79/569902579.db2.gz VYYIRXPLCCZKBK-QFIPXVFZSA-N 0 0 477.602 2.573 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223187199 569902656 /nfs/dbraw/zinc/90/26/56/569902656.db2.gz XRNUKJDSMHEZLB-IBGZPJMESA-N 0 0 491.997 2.818 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCc1cccc(N2CCCC2=O)c1)c1ccc(F)c(F)c1 ZINC000223201527 569903222 /nfs/dbraw/zinc/90/32/22/569903222.db2.gz YCNLXXXPAWUMCV-UHFFFAOYSA-N 0 0 465.522 2.954 40 0 JFABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223203364 569903331 /nfs/dbraw/zinc/90/33/31/569903331.db2.gz PWYNSIOGBVAPKD-HXUWFJFHSA-N 0 0 485.606 2.862 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223209680 569903532 /nfs/dbraw/zinc/90/35/32/569903532.db2.gz FBCNLRMLYJIQSK-HXUWFJFHSA-N 0 0 463.575 2.762 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223210080 569903540 /nfs/dbraw/zinc/90/35/40/569903540.db2.gz LTBJFRFLBRECLI-OAQYLSRUSA-N 0 0 463.575 2.762 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223213614 569903688 /nfs/dbraw/zinc/90/36/88/569903688.db2.gz RHCGPSGLLGHZML-HXUWFJFHSA-N 0 0 463.575 2.762 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223213283 569903702 /nfs/dbraw/zinc/90/37/02/569903702.db2.gz DKURMAVBYDYNRY-IBGZPJMESA-N 0 0 499.992 2.807 40 0 JFABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223226124 569904062 /nfs/dbraw/zinc/90/40/62/569904062.db2.gz LLOPSMFUQYWFEO-OAQYLSRUSA-N 0 0 492.617 2.609 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1N1C(=O)CCC1=O ZINC000223231159 569904284 /nfs/dbraw/zinc/90/42/84/569904284.db2.gz QJOSLMAQNRIRPG-UHFFFAOYSA-N 0 0 470.507 2.528 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223254546 569905044 /nfs/dbraw/zinc/90/50/44/569905044.db2.gz BWTLHVHEAPUACA-SFHVURJKSA-N 0 0 493.601 2.934 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccccc1F ZINC000223265331 569905339 /nfs/dbraw/zinc/90/53/39/569905339.db2.gz GWOZHODHPGNSAR-KRWDZBQOSA-N 0 0 477.558 2.919 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000223264858 569905386 /nfs/dbraw/zinc/90/53/86/569905386.db2.gz WHLGVEQHOXDFSQ-QFIPXVFZSA-N 0 0 473.595 2.679 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000223303906 569906719 /nfs/dbraw/zinc/90/67/19/569906719.db2.gz ZIEJGHHPOMPUEM-UHFFFAOYSA-N 0 0 475.586 2.900 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223307435 569906806 /nfs/dbraw/zinc/90/68/06/569906806.db2.gz ZXKRFWNYGYMNCR-KRWDZBQOSA-N 0 0 498.388 2.691 40 0 JFABRN O=C(Nc1nnc(S(=O)(=O)N2CCN(c3ccccc3)CC2)s1)c1ccc(Cl)cc1 ZINC000223322114 569907467 /nfs/dbraw/zinc/90/74/67/569907467.db2.gz FUHPAWUJPLWVGM-UHFFFAOYSA-N 0 0 463.972 2.955 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](CC)C(=O)NC)S(C)(=O)=O ZINC000223387551 569909491 /nfs/dbraw/zinc/90/94/91/569909491.db2.gz OUTYXZCKXBOSQN-NRFANRHFSA-N 0 0 475.611 2.577 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223390316 569909680 /nfs/dbraw/zinc/90/96/80/569909680.db2.gz CNNYVNVGDMAKOS-FQEVSTJZSA-N 0 0 496.029 2.976 40 0 JFABRN CC[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223397778 569909823 /nfs/dbraw/zinc/90/98/23/569909823.db2.gz IVDHJLBJHPUNQC-LJQANCHMSA-N 0 0 473.016 2.773 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223407826 569910250 /nfs/dbraw/zinc/91/02/50/569910250.db2.gz YZJNANZMQGZOIO-QFIPXVFZSA-N 0 0 475.611 2.795 40 0 JFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000223455272 569911833 /nfs/dbraw/zinc/91/18/33/569911833.db2.gz IEZPBLMWFYZFDA-NRFANRHFSA-N 0 0 493.601 2.934 40 0 JFABRN C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223463401 569912194 /nfs/dbraw/zinc/91/21/94/569912194.db2.gz XSIIRBSIFVJKHY-CYBMUJFWSA-N 0 0 458.458 2.948 40 0 JFABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O ZINC000223467426 569912287 /nfs/dbraw/zinc/91/22/87/569912287.db2.gz RPSVFHLMMHJJNN-JOCHJYFZSA-N 0 0 463.575 2.703 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223474485 569912533 /nfs/dbraw/zinc/91/25/33/569912533.db2.gz UWWSFASAKDNPAW-HXUWFJFHSA-N 0 0 466.003 2.702 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223477074 569912608 /nfs/dbraw/zinc/91/26/08/569912608.db2.gz WLSRAFYYXMUPAE-HXUWFJFHSA-N 0 0 496.029 2.711 40 0 JFABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223486441 569913086 /nfs/dbraw/zinc/91/30/86/569913086.db2.gz RNSZAGYNDNEJJI-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223496734 569913518 /nfs/dbraw/zinc/91/35/18/569913518.db2.gz ISMDVZDHWIGFCR-HXUWFJFHSA-N 0 0 466.003 2.556 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223504717 569913839 /nfs/dbraw/zinc/91/38/39/569913839.db2.gz BLIBVVPATKVHSI-FQEVSTJZSA-N 0 0 489.638 2.958 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223518722 569914330 /nfs/dbraw/zinc/91/43/30/569914330.db2.gz HQUXGZCEDYFZCS-INIZCTEOSA-N 0 0 496.427 2.769 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223518417 569914350 /nfs/dbraw/zinc/91/43/50/569914350.db2.gz IOKONLAQUPCFIC-MRXNPFEDSA-N 0 0 451.976 2.659 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223520358 569914440 /nfs/dbraw/zinc/91/44/40/569914440.db2.gz PJYHUMIAOAQOAZ-MRXNPFEDSA-N 0 0 482.002 2.668 40 0 JFABRN COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)NCCC(C)C)c2ccccc2)cc1 ZINC000223539492 569915222 /nfs/dbraw/zinc/91/52/22/569915222.db2.gz MUKWUDZVUWBQPI-XMMPIXPASA-N 0 0 489.638 2.819 40 0 JFABRN CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)CC)n2)cc1 ZINC000223541371 569915291 /nfs/dbraw/zinc/91/52/91/569915291.db2.gz KFIOEQHDOANCIH-UHFFFAOYSA-N 0 0 456.524 2.913 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223540980 569915295 /nfs/dbraw/zinc/91/52/95/569915295.db2.gz AFTYUZCUFTXRNW-INIZCTEOSA-N 0 0 451.976 2.514 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC ZINC000223545586 569915437 /nfs/dbraw/zinc/91/54/37/569915437.db2.gz JCARROSYSNMCHL-GOSISDBHSA-N 0 0 466.556 2.582 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223563091 569916166 /nfs/dbraw/zinc/91/61/66/569916166.db2.gz UWOWKKKOOLABMV-LJQANCHMSA-N 0 0 459.612 2.877 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223562802 569916199 /nfs/dbraw/zinc/91/61/99/569916199.db2.gz LDJKWLUJHNHDKD-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223567304 569916369 /nfs/dbraw/zinc/91/63/69/569916369.db2.gz WSONGGCBEZVUMX-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223566290 569916328 /nfs/dbraw/zinc/91/63/28/569916328.db2.gz QKQVLSOQJKBWTQ-KRWDZBQOSA-N 0 0 496.029 2.976 40 0 JFABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000223574618 569916552 /nfs/dbraw/zinc/91/65/52/569916552.db2.gz NHEBKKDNZFHTHK-ZDUSSCGKSA-N 0 0 450.542 2.620 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223586827 569917036 /nfs/dbraw/zinc/91/70/36/569917036.db2.gz KSMIFGCOZYKENJ-KRWDZBQOSA-N 0 0 466.003 2.822 40 0 JFABRN COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3C)no2)cc1C(=O)N1CCCC1 ZINC000223592666 569917184 /nfs/dbraw/zinc/91/71/84/569917184.db2.gz NPEXINSPQBFCGD-UHFFFAOYSA-N 0 0 456.524 2.768 40 0 JFABRN CNC(=O)c1cc(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)ccc1OC ZINC000223597326 569917322 /nfs/dbraw/zinc/91/73/22/569917322.db2.gz WYPDDVIMLDQMAH-UHFFFAOYSA-N 0 0 458.540 2.881 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223608312 569917740 /nfs/dbraw/zinc/91/77/40/569917740.db2.gz WYRALQSUQPXJSM-QGZVFWFLSA-N 0 0 466.003 2.968 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223607527 569917744 /nfs/dbraw/zinc/91/77/44/569917744.db2.gz WYJSQKJFWGWAAW-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000223613496 569917908 /nfs/dbraw/zinc/91/79/08/569917908.db2.gz XMCDFBDGDHEGQI-GOSISDBHSA-N 0 0 462.568 2.896 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223611854 569917944 /nfs/dbraw/zinc/91/79/44/569917944.db2.gz NHECTPXSELNVFK-HXUWFJFHSA-N 0 0 459.612 2.931 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223620768 569918121 /nfs/dbraw/zinc/91/81/21/569918121.db2.gz BUBMFXPEVUTRPJ-INIZCTEOSA-N 0 0 467.538 2.593 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223654907 569919136 /nfs/dbraw/zinc/91/91/36/569919136.db2.gz OQRZWPHWUNOBQL-LJQANCHMSA-N 0 0 475.611 2.631 40 0 JFABRN COc1ccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1OC ZINC000223660346 569919299 /nfs/dbraw/zinc/91/92/99/569919299.db2.gz VTBWTQYYMLITDG-UHFFFAOYSA-N 0 0 464.584 2.963 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223669106 569919516 /nfs/dbraw/zinc/91/95/16/569919516.db2.gz TZIJQCZOUIAQRC-OAQYLSRUSA-N 0 0 488.654 2.778 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223676365 569919721 /nfs/dbraw/zinc/91/97/21/569919721.db2.gz UJRWYSMKCYNKRN-HXUWFJFHSA-N 0 0 459.612 2.949 40 0 JFABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223698499 569920359 /nfs/dbraw/zinc/92/03/59/569920359.db2.gz QYRYQTMKRHIJAS-FQEVSTJZSA-N 0 0 485.606 2.596 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223706611 569920627 /nfs/dbraw/zinc/92/06/27/569920627.db2.gz CEHQQSDCCPUMOA-OAHLLOKOSA-N 0 0 469.966 2.799 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223716224 569920935 /nfs/dbraw/zinc/92/09/35/569920935.db2.gz AGGBFZHITTUCAJ-KRWDZBQOSA-N 0 0 466.003 2.822 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccc(C)cc4O3)s2)cc1 ZINC000223735558 569921640 /nfs/dbraw/zinc/92/16/40/569921640.db2.gz QUBJAZSPENSQOT-QGZVFWFLSA-N 0 0 460.537 2.688 40 0 JFABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223740308 569921774 /nfs/dbraw/zinc/92/17/74/569921774.db2.gz USCWTBVKUWZLLH-FQEVSTJZSA-N 0 0 486.638 2.776 40 0 JFABRN CSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)s1 ZINC000223750447 569922074 /nfs/dbraw/zinc/92/20/74/569922074.db2.gz JTQZTZSECJWJPD-INIZCTEOSA-N 0 0 462.578 2.996 40 0 JFABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223813848 569924122 /nfs/dbraw/zinc/92/41/22/569924122.db2.gz XGVZZJNPMWKABP-HXUWFJFHSA-N 0 0 489.569 2.694 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223828193 569924546 /nfs/dbraw/zinc/92/45/46/569924546.db2.gz LBWFODZXSRVMBE-GOSISDBHSA-N 0 0 493.601 2.934 40 0 JFABRN C[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223845604 569924955 /nfs/dbraw/zinc/92/49/55/569924955.db2.gz XMGWZHSXSNRMKL-UONOGXRCSA-N 0 0 458.989 2.775 40 0 JFABRN C[C@@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223849345 569925026 /nfs/dbraw/zinc/92/50/26/569925026.db2.gz DIBHRAZDPOQAFZ-ZIAGYGMSSA-N 0 0 458.989 2.775 40 0 JFABRN COc1ccccc1OCCNC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000223868725 569925678 /nfs/dbraw/zinc/92/56/78/569925678.db2.gz AVQSNGSWUOWCGP-UHFFFAOYSA-N 0 0 471.373 2.727 40 0 JFABRN C[C@@H](NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223878481 569925977 /nfs/dbraw/zinc/92/59/77/569925977.db2.gz KKDUEISTXFOSTF-CYBMUJFWSA-N 0 0 478.514 2.752 40 0 JFABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223881455 569926147 /nfs/dbraw/zinc/92/61/47/569926147.db2.gz BGGWRFVMCIKZDX-MGPUTAFESA-N 0 0 468.597 2.521 40 0 JFABRN COc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000223883231 569926223 /nfs/dbraw/zinc/92/62/23/569926223.db2.gz PXNZYLRZWSWTBD-INIZCTEOSA-N 0 0 468.597 2.522 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)CCc1ccccc1 ZINC000223923942 569927452 /nfs/dbraw/zinc/92/74/52/569927452.db2.gz TYULSBKTPKUHFV-LJQANCHMSA-N 0 0 460.596 2.786 40 0 JFABRN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)s2)c1 ZINC000223935764 569927797 /nfs/dbraw/zinc/92/77/97/569927797.db2.gz BRRYEJIHLBJQKO-UHFFFAOYSA-N 0 0 461.544 2.749 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223945360 569928003 /nfs/dbraw/zinc/92/80/03/569928003.db2.gz QCPAJVIFHNJNLX-CYBMUJFWSA-N 0 0 498.388 2.691 40 0 JFABRN COc1cc(N(CC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)c(OC)cc1Cl ZINC000223953073 569928215 /nfs/dbraw/zinc/92/82/15/569928215.db2.gz SIZICQLBXSDQJK-UHFFFAOYSA-N 0 0 470.975 2.935 40 0 JFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223979628 569929272 /nfs/dbraw/zinc/92/92/72/569929272.db2.gz YNFTYQASWXFKFR-SFHVURJKSA-N 0 0 475.611 2.577 40 0 JFABRN O=C(NCCOc1ccc(F)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000223997037 569929853 /nfs/dbraw/zinc/92/98/53/569929853.db2.gz UADIYMVVUVZXDZ-QFIPXVFZSA-N 0 0 456.495 2.977 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000224006931 569930208 /nfs/dbraw/zinc/93/02/08/569930208.db2.gz PPCZTLMQFCEHBU-CQSZACIVSA-N 0 0 489.566 2.789 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000224031584 569931192 /nfs/dbraw/zinc/93/11/92/569931192.db2.gz VECJZHFSYHBIFG-OAHLLOKOSA-N 0 0 499.992 2.807 40 0 JFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224034953 569931335 /nfs/dbraw/zinc/93/13/35/569931335.db2.gz MBNTUFPWZQREHJ-HNNXBMFYSA-N 0 0 491.997 2.817 40 0 JFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000224041263 569931527 /nfs/dbraw/zinc/93/15/27/569931527.db2.gz CCOSYMSARXCDRP-LJQANCHMSA-N 0 0 475.611 2.795 40 0 JFABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224055814 569931876 /nfs/dbraw/zinc/93/18/76/569931876.db2.gz POMKGSLUJPUXAS-OAQYLSRUSA-N 0 0 485.606 2.597 40 0 JFABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224055873 569931901 /nfs/dbraw/zinc/93/19/01/569931901.db2.gz POMKGSLUJPUXAS-NRFANRHFSA-N 0 0 485.606 2.597 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000224063966 569932074 /nfs/dbraw/zinc/93/20/74/569932074.db2.gz DDMIEZOIGRAVNJ-KRWDZBQOSA-N 0 0 493.601 2.932 40 0 JFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224064283 569932075 /nfs/dbraw/zinc/93/20/75/569932075.db2.gz CWHKXAZOVSIVDY-FQEVSTJZSA-N 0 0 459.612 2.665 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000224067421 569932252 /nfs/dbraw/zinc/93/22/52/569932252.db2.gz YUSWBHBVFWIOPJ-QGZVFWFLSA-N 0 0 496.029 2.711 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000224068186 569932279 /nfs/dbraw/zinc/93/22/79/569932279.db2.gz YSIQJGMVVOXLEX-HXUWFJFHSA-N 0 0 459.612 2.665 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000224080021 569932611 /nfs/dbraw/zinc/93/26/11/569932611.db2.gz FOMJKOAOHBQNMZ-OAQYLSRUSA-N 0 0 488.654 2.512 40 0 JFABRN Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000224085910 569932792 /nfs/dbraw/zinc/93/27/92/569932792.db2.gz NGAYPWPMGXQMBF-FQEVSTJZSA-N 0 0 459.612 2.951 40 0 JFABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224086747 569932872 /nfs/dbraw/zinc/93/28/72/569932872.db2.gz GXSSBIIIBYQHHR-QGZVFWFLSA-N 0 0 466.003 2.556 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000224106587 569933375 /nfs/dbraw/zinc/93/33/75/569933375.db2.gz VKBBDNZMWVROHC-HXUWFJFHSA-N 0 0 472.567 2.676 40 0 JFABRN CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000224115603 569933644 /nfs/dbraw/zinc/93/36/44/569933644.db2.gz AGGIJPCBDNQJMT-UHFFFAOYSA-N 0 0 454.932 2.810 40 0 JFABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000224140677 569934307 /nfs/dbraw/zinc/93/43/07/569934307.db2.gz ZGYCOBKDAROPHJ-OSICKASQSA-N 0 0 457.596 2.707 40 0 JFABRN Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl ZINC000224148981 569934537 /nfs/dbraw/zinc/93/45/37/569934537.db2.gz ABTYCJJUTVHNMD-HNNXBMFYSA-N 0 0 468.959 2.769 40 0 JFABRN CCCc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)cc1 ZINC000224163614 569934983 /nfs/dbraw/zinc/93/49/83/569934983.db2.gz UBHRVBPHGWOTDL-UHFFFAOYSA-N 0 0 462.568 2.762 40 0 JFABRN Cc1ccc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1Cl ZINC000224172580 569935263 /nfs/dbraw/zinc/93/52/63/569935263.db2.gz YSZNRVNSHGRQSV-UHFFFAOYSA-N 0 0 452.960 2.619 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000224172181 569935274 /nfs/dbraw/zinc/93/52/74/569935274.db2.gz PKNPWGINZXMISO-OAQYLSRUSA-N 0 0 492.617 2.690 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224197654 569936111 /nfs/dbraw/zinc/93/61/11/569936111.db2.gz GRDMRIHVNLZMKY-HXUWFJFHSA-N 0 0 463.575 2.844 40 0 JFABRN COc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c1 ZINC000224219582 569936979 /nfs/dbraw/zinc/93/69/79/569936979.db2.gz RENDEJKGKHOAPB-UHFFFAOYSA-N 0 0 460.596 2.865 40 0 JFABRN O=C(NCCOc1ccccc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224229299 569937293 /nfs/dbraw/zinc/93/72/93/569937293.db2.gz NANOOOGUPKZWOQ-QHCPKHFHSA-N 0 0 452.532 2.979 40 0 JFABRN CN(C)S(=O)(=O)c1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000224231213 569937341 /nfs/dbraw/zinc/93/73/41/569937341.db2.gz XMFBCEQZTUECSX-UHFFFAOYSA-N 0 0 467.396 2.742 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224241720 569937783 /nfs/dbraw/zinc/93/77/83/569937783.db2.gz MOSHEGKDOIHXED-OAQYLSRUSA-N 0 0 463.575 2.844 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224249919 569938157 /nfs/dbraw/zinc/93/81/57/569938157.db2.gz QHGOPIJMRZMPSP-QHCPKHFHSA-N 0 0 487.622 2.907 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224257799 569938325 /nfs/dbraw/zinc/93/83/25/569938325.db2.gz IUAGOPMGAZVCIG-JOCHJYFZSA-N 0 0 459.612 2.867 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224257855 569938341 /nfs/dbraw/zinc/93/83/41/569938341.db2.gz IUAGOPMGAZVCIG-QFIPXVFZSA-N 0 0 459.612 2.867 40 0 JFABRN COc1cc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc(OC)c1OC ZINC000224296612 569939606 /nfs/dbraw/zinc/93/96/06/569939606.db2.gz NEFVYEOWKKPXBI-UHFFFAOYSA-N 0 0 498.970 2.948 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224294023 569939619 /nfs/dbraw/zinc/93/96/19/569939619.db2.gz CGYVBYBQTLJGIT-OAQYLSRUSA-N 0 0 495.045 2.896 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224304069 569939875 /nfs/dbraw/zinc/93/98/75/569939875.db2.gz RUIYYOPRVWXIOV-LJQANCHMSA-N 0 0 491.997 2.818 40 0 JFABRN O=S(=O)(Cc1ccccc1Cl)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224310545 569940054 /nfs/dbraw/zinc/94/00/54/569940054.db2.gz WPUUBNNGBVXFBD-UHFFFAOYSA-N 0 0 458.989 2.623 40 0 JFABRN CC[C@@H](Oc1ccccc1F)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224327802 569940801 /nfs/dbraw/zinc/94/08/01/569940801.db2.gz AQNAEEYQFGHOMQ-HXUWFJFHSA-N 0 0 450.532 2.963 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000224336344 569941049 /nfs/dbraw/zinc/94/10/49/569941049.db2.gz DSDKPGLXGLRASV-NRFANRHFSA-N 0 0 495.045 2.896 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000224367696 569942215 /nfs/dbraw/zinc/94/22/15/569942215.db2.gz IZWCTAXFOMGAEX-JOCHJYFZSA-N 0 0 493.601 2.934 40 0 JFABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224368659 569942234 /nfs/dbraw/zinc/94/22/34/569942234.db2.gz QFRFISKYFRPSLB-HXUWFJFHSA-N 0 0 467.538 2.674 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224368970 569942297 /nfs/dbraw/zinc/94/22/97/569942297.db2.gz DAIVWPWQWFDBLI-FQEVSTJZSA-N 0 0 493.601 2.852 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224376606 569942481 /nfs/dbraw/zinc/94/24/81/569942481.db2.gz KNXLVMZXMFTJSZ-QFIPXVFZSA-N 0 0 491.585 2.738 40 0 JFABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224381992 569942662 /nfs/dbraw/zinc/94/26/62/569942662.db2.gz FWVHTVQAURRIIA-NRFANRHFSA-N 0 0 496.580 2.521 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)COc1ccc(C)c(C)c1 ZINC000224414313 569943847 /nfs/dbraw/zinc/94/38/47/569943847.db2.gz MZPRGQXUABIMFR-HXUWFJFHSA-N 0 0 490.622 2.849 40 0 JFABRN COc1cccc(CN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224445530 569944734 /nfs/dbraw/zinc/94/47/34/569944734.db2.gz HGYNLBXUAQVNFW-QIJUGHKUSA-N 0 0 469.582 2.526 40 0 JFABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224461627 569945207 /nfs/dbraw/zinc/94/52/07/569945207.db2.gz MMHIXTXDLGICIF-IBGZPJMESA-N 0 0 490.622 2.968 40 0 JFABRN COc1ccc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000224490813 569946113 /nfs/dbraw/zinc/94/61/13/569946113.db2.gz SLOPQGRNNQLTIF-OAQYLSRUSA-N 0 0 462.568 2.715 40 0 JFABRN Cc1cc(O[C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Cl ZINC000224492014 569946162 /nfs/dbraw/zinc/94/61/62/569946162.db2.gz XMFFHFXIERMCOR-QGZVFWFLSA-N 0 0 482.986 2.632 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000224555577 569948204 /nfs/dbraw/zinc/94/82/04/569948204.db2.gz MVCPJLXZDDLRMY-UHFFFAOYSA-N 0 0 486.421 2.908 40 0 JFABRN CC[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224568109 569948790 /nfs/dbraw/zinc/94/87/90/569948790.db2.gz HWYQILVRISQJIX-QFIPXVFZSA-N 0 0 463.575 2.519 40 0 JFABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224575378 569949178 /nfs/dbraw/zinc/94/91/78/569949178.db2.gz YJLKUGFZFWQOGW-OAQYLSRUSA-N 0 0 485.606 2.719 40 0 JFABRN COc1ccc(CNC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1OC ZINC000224581068 569949412 /nfs/dbraw/zinc/94/94/12/569949412.db2.gz BVIXUJWCRUFWEN-UHFFFAOYSA-N 0 0 462.524 2.548 40 0 JFABRN CCc1ccc(OCCNC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1 ZINC000224581151 569949426 /nfs/dbraw/zinc/94/94/26/569949426.db2.gz ABFZJSGCTOKLCL-UHFFFAOYSA-N 0 0 460.552 2.972 40 0 JFABRN CCCn1c2ccc(S(=O)(=O)NCc3ccc(CN4CCOCC4)cc3)cc2sc1=O ZINC000224590061 569949726 /nfs/dbraw/zinc/94/97/26/569949726.db2.gz IDRGJGQMJVMURQ-UHFFFAOYSA-N 0 0 461.609 2.784 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224654951 569952351 /nfs/dbraw/zinc/95/23/51/569952351.db2.gz FMOAZGYBPAIDIZ-MRXNPFEDSA-N 0 0 467.538 2.673 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000224655844 569952408 /nfs/dbraw/zinc/95/24/08/569952408.db2.gz ZDVRUHNEXZENHB-SFHVURJKSA-N 0 0 489.594 2.515 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224659074 569952522 /nfs/dbraw/zinc/95/25/22/569952522.db2.gz ATWOWAXYIHYTGB-INIZCTEOSA-N 0 0 467.538 2.673 40 0 JFABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224661739 569952619 /nfs/dbraw/zinc/95/26/19/569952619.db2.gz QDAZMDYXGCEFNV-GOSISDBHSA-N 0 0 483.590 2.697 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000224668738 569952994 /nfs/dbraw/zinc/95/29/94/569952994.db2.gz BGLDHODHJILNDT-KRWDZBQOSA-N 0 0 489.569 2.692 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224680465 569953445 /nfs/dbraw/zinc/95/34/45/569953445.db2.gz GYSONTQGUIPCHE-LJQANCHMSA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224681475 569953484 /nfs/dbraw/zinc/95/34/84/569953484.db2.gz XUGKGFMQHRAGIF-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224686465 569953545 /nfs/dbraw/zinc/95/35/45/569953545.db2.gz VBASHCXUWYTXFQ-IBGZPJMESA-N 0 0 475.611 2.713 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224687011 569953558 /nfs/dbraw/zinc/95/35/58/569953558.db2.gz JPEGVZGASMPKMO-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN CCOc1ccccc1N(CCCC(=O)NCCOc1ccc(OC)cc1)S(C)(=O)=O ZINC000224699109 569954003 /nfs/dbraw/zinc/95/40/03/569954003.db2.gz MUYTXVWLMMEAOD-UHFFFAOYSA-N 0 0 450.557 2.835 40 0 JFABRN Cc1cc(Cl)ccc1N(CC(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O ZINC000224715194 569954523 /nfs/dbraw/zinc/95/45/23/569954523.db2.gz MRAQJDPROKRXIY-UHFFFAOYSA-N 0 0 466.003 2.563 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224723935 569954783 /nfs/dbraw/zinc/95/47/83/569954783.db2.gz RHVOHYWWQCVNQQ-GOSISDBHSA-N 0 0 463.575 2.844 40 0 JFABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O ZINC000224724960 569954809 /nfs/dbraw/zinc/95/48/09/569954809.db2.gz GTUNXQAHILUXQS-KRWDZBQOSA-N 0 0 496.029 2.652 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224723982 569954817 /nfs/dbraw/zinc/95/48/17/569954817.db2.gz RHVOHYWWQCVNQQ-SFHVURJKSA-N 0 0 463.575 2.844 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000224728400 569955052 /nfs/dbraw/zinc/95/50/52/569955052.db2.gz GEWGCRLCHKBELN-UHFFFAOYSA-N 0 0 487.622 2.632 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000224730009 569955097 /nfs/dbraw/zinc/95/50/97/569955097.db2.gz LJHBWXIIJKBEQB-IBGZPJMESA-N 0 0 492.617 2.690 40 0 JFABRN CC[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224734469 569955353 /nfs/dbraw/zinc/95/53/53/569955353.db2.gz LXPTVYLADWWJGG-HSZRJFAPSA-N 0 0 459.612 2.688 40 0 JFABRN Cc1ccc(N(CCCC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224742149 569955669 /nfs/dbraw/zinc/95/56/69/569955669.db2.gz DSUBPONDKDYXPI-UHFFFAOYSA-N 0 0 459.612 2.690 40 0 JFABRN Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1Cl ZINC000224745523 569955767 /nfs/dbraw/zinc/95/57/67/569955767.db2.gz RTNKCUZIKOPECY-SFHVURJKSA-N 0 0 480.030 2.952 40 0 JFABRN CC[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224746528 569955775 /nfs/dbraw/zinc/95/57/75/569955775.db2.gz XLLVCSCRJOVMIU-XMMPIXPASA-N 0 0 473.639 2.997 40 0 JFABRN CC[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224746268 569955788 /nfs/dbraw/zinc/95/57/88/569955788.db2.gz GLRBJPLFHSOTRF-QHCPKHFHSA-N 0 0 459.612 2.688 40 0 JFABRN CC[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000224746640 569955829 /nfs/dbraw/zinc/95/58/29/569955829.db2.gz ABGRBXKTMVFAJT-OAQYLSRUSA-N 0 0 463.575 2.519 40 0 JFABRN CCOc1ccc(N(CCCC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224748634 569955858 /nfs/dbraw/zinc/95/58/58/569955858.db2.gz SRQCZWLVDDJJFD-UHFFFAOYSA-N 0 0 489.638 2.780 40 0 JFABRN Cc1ccccc1N(CCCC(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O ZINC000224748216 569955868 /nfs/dbraw/zinc/95/58/68/569955868.db2.gz YJSCAMCUEYTMDT-UHFFFAOYSA-N 0 0 459.612 2.690 40 0 JFABRN CCS(=O)(=O)N(CC(=O)Nc1nnc(SCC(C)C)s1)c1ccc2c(c1)OCO2 ZINC000224750704 569956005 /nfs/dbraw/zinc/95/60/05/569956005.db2.gz VZZWFTLEBDTQIR-UHFFFAOYSA-N 0 0 458.587 2.810 40 0 JFABRN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]CCC[N@@H+]3CCc4ccccc4C3)s2)c1 ZINC000224751555 569956011 /nfs/dbraw/zinc/95/60/11/569956011.db2.gz QIZZZFWWYMSXGJ-UHFFFAOYSA-N 0 0 471.608 2.826 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000224761380 569956539 /nfs/dbraw/zinc/95/65/39/569956539.db2.gz SPCIEVGAOKASTK-LJQANCHMSA-N 0 0 487.622 2.907 40 0 JFABRN CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(CN(C)S(=O)(=O)c3ccccc3)c2)CC1 ZINC000224772227 569956919 /nfs/dbraw/zinc/95/69/19/569956919.db2.gz HJBGPSUFPADBTI-UHFFFAOYSA-N 0 0 474.579 2.931 40 0 JFABRN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)s2)cc1 ZINC000224780931 569957303 /nfs/dbraw/zinc/95/73/03/569957303.db2.gz IDDXKIPYWDZWFB-UHFFFAOYSA-N 0 0 461.544 2.749 40 0 JFABRN CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(CN(C)S(=O)(=O)c3ccccc3)c2)CC1 ZINC000224817028 569958980 /nfs/dbraw/zinc/95/89/80/569958980.db2.gz DRGNXGAZIOGOGN-UHFFFAOYSA-N 0 0 489.594 2.820 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000224819898 569959061 /nfs/dbraw/zinc/95/90/61/569959061.db2.gz GTOOMPSAXVCYLG-UHFFFAOYSA-N 0 0 458.540 2.553 40 0 JFABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000224832746 569959563 /nfs/dbraw/zinc/95/95/63/569959563.db2.gz XNFPLLIHPYLGLT-UHFFFAOYSA-N 0 0 486.550 2.713 40 0 JFABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224864212 569960702 /nfs/dbraw/zinc/96/07/02/569960702.db2.gz AUQIUTWXMZTZQU-QGZVFWFLSA-N 0 0 479.574 2.544 40 0 JFABRN CCOc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 ZINC000224881450 569961690 /nfs/dbraw/zinc/96/16/90/569961690.db2.gz MKCGGBWWHUJHMH-MRXNPFEDSA-N 0 0 488.566 2.957 40 0 JFABRN COC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2C)c1 ZINC000408594717 569965701 /nfs/dbraw/zinc/96/57/01/569965701.db2.gz AOBLKJSHSHLPDH-CYBMUJFWSA-N 0 0 471.514 2.963 40 0 JFABRN COC(=O)c1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000408595320 569966068 /nfs/dbraw/zinc/96/60/68/569966068.db2.gz HBFQODRYXMTUFA-AWEZNQCLSA-N 0 0 483.550 2.832 40 0 JFABRN CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000408596960 569967072 /nfs/dbraw/zinc/96/70/72/569967072.db2.gz VHCPQZLCXLJEAR-RMKNXTFCSA-N 0 0 457.596 2.610 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1 ZINC000408597287 569967250 /nfs/dbraw/zinc/96/72/50/569967250.db2.gz URZHOWGQCYSZDL-UHFFFAOYSA-N 0 0 482.942 2.555 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224986336 569967400 /nfs/dbraw/zinc/96/74/00/569967400.db2.gz JJDKSABAFRKRDK-RBUKOAKNSA-N 0 0 475.611 2.793 40 0 JFABRN COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)CC1 ZINC000408597627 569967500 /nfs/dbraw/zinc/96/75/00/569967500.db2.gz ZRDSINIZQIUQKO-UHFFFAOYSA-N 0 0 487.622 2.906 40 0 JFABRN CCOCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000408597814 569967602 /nfs/dbraw/zinc/96/76/02/569967602.db2.gz YLUNOQXJCZSDIY-UHFFFAOYSA-N 0 0 450.557 2.750 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc(C(=O)OC)c1 ZINC000408597896 569967648 /nfs/dbraw/zinc/96/76/48/569967648.db2.gz WFJAEJDRYKUULL-QFIPXVFZSA-N 0 0 496.541 2.788 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)cc1 ZINC000408598067 569967732 /nfs/dbraw/zinc/96/77/32/569967732.db2.gz ZGXFHSDVCLXRFM-VMPITWQZSA-N 0 0 483.634 2.954 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224991007 569967823 /nfs/dbraw/zinc/96/78/23/569967823.db2.gz MPIJBRZXLLMNMR-RBUKOAKNSA-N 0 0 475.611 2.793 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C ZINC000408598101 569967952 /nfs/dbraw/zinc/96/79/52/569967952.db2.gz ZULBXAZWHDBVJG-UHFFFAOYSA-N 0 0 494.566 2.751 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225004076 569968624 /nfs/dbraw/zinc/96/86/24/569968624.db2.gz VHBMHJWXNHDJNO-MOPGFXCFSA-N 0 0 485.606 2.943 40 0 JFABRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCC(=O)OC(C)C ZINC000408600721 569968682 /nfs/dbraw/zinc/96/86/82/569968682.db2.gz FMASOLCOFFXNDI-WQRHYEAKSA-N 0 0 462.524 2.684 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225005096 569968734 /nfs/dbraw/zinc/96/87/34/569968734.db2.gz JLLWLAFQIKFARG-ZWKOTPCHSA-N 0 0 471.579 2.553 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225016905 569969353 /nfs/dbraw/zinc/96/93/53/569969353.db2.gz GGIUNAFUTVSJLI-UHFFFAOYSA-N 0 0 473.595 2.888 40 0 JFABRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000408601998 569969387 /nfs/dbraw/zinc/96/93/87/569969387.db2.gz BJZGAHJFWNYSJQ-UHFFFAOYSA-N 0 0 463.556 2.591 40 0 JFABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000225020354 569969689 /nfs/dbraw/zinc/96/96/89/569969689.db2.gz KORINLXLJBRUIK-KRWDZBQOSA-N 0 0 479.574 2.544 40 0 JFABRN COC(=O)c1c2c(sc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)CN(C)CC2 ZINC000408604000 569970260 /nfs/dbraw/zinc/97/02/60/569970260.db2.gz GRHPYZPSAXWKDP-HNNXBMFYSA-N 0 0 479.624 2.933 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225034601 569970621 /nfs/dbraw/zinc/97/06/21/569970621.db2.gz KJVISEWJHAMUOJ-NHCUHLMSSA-N 0 0 488.654 2.940 40 0 JFABRN C[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225036169 569970715 /nfs/dbraw/zinc/97/07/15/569970715.db2.gz IRYZMJXETQJAGJ-CQSZACIVSA-N 0 0 451.495 2.994 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225045472 569971530 /nfs/dbraw/zinc/97/15/30/569971530.db2.gz WQWUTDZVYRZJHF-MOPGFXCFSA-N 0 0 485.606 2.862 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000225049907 569971797 /nfs/dbraw/zinc/97/17/97/569971797.db2.gz DADQPCHXJOTPAE-FQEVSTJZSA-N 0 0 459.612 2.747 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000225050001 569971806 /nfs/dbraw/zinc/97/18/06/569971806.db2.gz PJZJCVOTDCNTQW-FQEVSTJZSA-N 0 0 459.612 2.747 40 0 JFABRN Cn1c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)cc2n(C)c1=O ZINC000408608506 569971906 /nfs/dbraw/zinc/97/19/06/569971906.db2.gz NPSIMAVBULXHKT-UHFFFAOYSA-N 0 0 468.510 2.850 40 0 JFABRN Cn1c(=O)sc2cc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)ccc21 ZINC000225050861 569971923 /nfs/dbraw/zinc/97/19/23/569971923.db2.gz JPTMXZGSSIDETF-UHFFFAOYSA-N 0 0 463.556 2.920 40 0 JFABRN COC[C@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000408611216 569972664 /nfs/dbraw/zinc/97/26/64/569972664.db2.gz SLGGZQKOKHLGSY-KRWDZBQOSA-N 0 0 450.557 2.667 40 0 JFABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225064007 569972987 /nfs/dbraw/zinc/97/29/87/569972987.db2.gz NODXPTYLFVNNOL-FQEVSTJZSA-N 0 0 459.612 2.602 40 0 JFABRN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCN1CCOCC1 ZINC000408613343 569973335 /nfs/dbraw/zinc/97/33/35/569973335.db2.gz WLKUKSAFMZCEAF-UHFFFAOYSA-N 0 0 472.394 2.637 40 0 JFABRN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000408614013 569973693 /nfs/dbraw/zinc/97/36/93/569973693.db2.gz ZREFESFEGAUGDA-UHFFFAOYSA-N 0 0 463.556 2.637 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225084881 569973985 /nfs/dbraw/zinc/97/39/85/569973985.db2.gz DWPOZYMPQSYYRA-RTBURBONSA-N 0 0 485.606 2.862 40 0 JFABRN COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)C1 ZINC000408614580 569974084 /nfs/dbraw/zinc/97/40/84/569974084.db2.gz DXPYNNXVJDCJCS-LJQANCHMSA-N 0 0 453.539 2.827 40 0 JFABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H](C)O)CC2=O)cc1 ZINC000408614816 569974232 /nfs/dbraw/zinc/97/42/32/569974232.db2.gz IJWSNIAQGKVRER-JKSUJKDBSA-N 0 0 459.930 2.516 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000225088783 569974263 /nfs/dbraw/zinc/97/42/63/569974263.db2.gz ONZGULUDODJQLB-UGKGYDQZSA-N 0 0 489.594 2.787 40 0 JFABRN COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)C1 ZINC000408614869 569974339 /nfs/dbraw/zinc/97/43/39/569974339.db2.gz IYRMAGNNNAIKBF-LJQANCHMSA-N 0 0 453.539 2.827 40 0 JFABRN CCOc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCOC)CC3=O)cc2)cc1 ZINC000408615027 569974394 /nfs/dbraw/zinc/97/43/94/569974394.db2.gz LAAQRJZDVHSURG-GOSISDBHSA-N 0 0 469.538 2.608 40 0 JFABRN Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)c1 ZINC000408615375 569974655 /nfs/dbraw/zinc/97/46/55/569974655.db2.gz PQPHPGLHNZLTHP-AUSIDOKSSA-N 0 0 465.550 2.969 40 0 JFABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)c(C)c1 ZINC000408615336 569974695 /nfs/dbraw/zinc/97/46/95/569974695.db2.gz PAHWVYYJDIVXQV-SIKLNZKXSA-N 0 0 465.550 2.969 40 0 JFABRN Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)c1 ZINC000408615377 569974697 /nfs/dbraw/zinc/97/46/97/569974697.db2.gz PQPHPGLHNZLTHP-WMZHIEFXSA-N 0 0 465.550 2.969 40 0 JFABRN CCn1c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2sc1=O ZINC000225096477 569974807 /nfs/dbraw/zinc/97/48/07/569974807.db2.gz OYUIIRUNCGSUGH-UHFFFAOYSA-N 0 0 461.565 2.665 40 0 JFABRN CN(C)S(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000408615496 569974810 /nfs/dbraw/zinc/97/48/10/569974810.db2.gz AZSIGHHRIBDXLP-UHFFFAOYSA-N 0 0 470.517 2.667 40 0 JFABRN CCc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)cc1 ZINC000408615794 569974965 /nfs/dbraw/zinc/97/49/65/569974965.db2.gz SHQQJDGOBLBVIY-AUSIDOKSSA-N 0 0 465.550 2.915 40 0 JFABRN Cc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000408615803 569974983 /nfs/dbraw/zinc/97/49/83/569974983.db2.gz SJVHZVZEZYDCNO-WIYYLYMNSA-N 0 0 451.523 2.661 40 0 JFABRN Cc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000408615801 569975010 /nfs/dbraw/zinc/97/50/10/569975010.db2.gz SJVHZVZEZYDCNO-NQIIRXRSSA-N 0 0 451.523 2.661 40 0 JFABRN C[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000408615944 569975161 /nfs/dbraw/zinc/97/51/61/569975161.db2.gz URNZGAHSGJBRLD-GJZGRUSLSA-N 0 0 479.455 2.573 40 0 JFABRN COc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCc4ccco4)CC3=O)cc2)cc1 ZINC000408616065 569975239 /nfs/dbraw/zinc/97/52/39/569975239.db2.gz VJVNHTKWGSBKIS-QGZVFWFLSA-N 0 0 463.490 2.975 40 0 JFABRN CCOC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)sc2c1CCC2 ZINC000408616013 569975271 /nfs/dbraw/zinc/97/52/71/569975271.db2.gz DZMZDUHZEMYJOW-UHFFFAOYSA-N 0 0 451.570 2.665 40 0 JFABRN CCOc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408616419 569975508 /nfs/dbraw/zinc/97/55/08/569975508.db2.gz YXRWSFNGQABYCD-UHFFFAOYSA-N 0 0 456.568 2.992 40 0 JFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCCn2ccnc2)cc1C ZINC000408617304 569976154 /nfs/dbraw/zinc/97/61/54/569976154.db2.gz AOHZDVCNDAVOCL-UHFFFAOYSA-N 0 0 470.595 2.640 40 0 JFABRN O=C(Nc1nnc(S(=O)(=O)N2CCN(c3ccccc3)CC2)s1)c1ccccc1Cl ZINC000225120283 569976237 /nfs/dbraw/zinc/97/62/37/569976237.db2.gz PGXJKGKNDZKNEM-UHFFFAOYSA-N 0 0 463.972 2.955 40 0 JFABRN COc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)c(OC)c1 ZINC000408617518 569976311 /nfs/dbraw/zinc/97/63/11/569976311.db2.gz BITGNDDAGNJRKT-UHFFFAOYSA-N 0 0 457.346 2.867 40 0 JFABRN COC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000408618104 569976531 /nfs/dbraw/zinc/97/65/31/569976531.db2.gz CRWPYNPSRBNVKD-MRXNPFEDSA-N 0 0 454.976 2.733 40 0 JFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000408618337 569976609 /nfs/dbraw/zinc/97/66/09/569976609.db2.gz FMSCCBGBCWHOPC-AWEZNQCLSA-N 0 0 455.939 2.503 40 0 JFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000408618520 569976818 /nfs/dbraw/zinc/97/68/18/569976818.db2.gz KRGOBTATGJQIPH-UHFFFAOYSA-N 0 0 470.931 2.857 40 0 JFABRN COc1ccc(OC)c(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)c1 ZINC000408618685 569976892 /nfs/dbraw/zinc/97/68/92/569976892.db2.gz DZYDHMAAVHTWOP-UHFFFAOYSA-N 0 0 457.346 2.867 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCn1ccnc1)Cc1ccccc1 ZINC000408620201 569977646 /nfs/dbraw/zinc/97/76/46/569977646.db2.gz KPBZEPAMIOUNLJ-UHFFFAOYSA-N 0 0 456.568 2.598 40 0 JFABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccccc1Cl ZINC000408621887 569978539 /nfs/dbraw/zinc/97/85/39/569978539.db2.gz PVUXPKIAIRZPBD-HNNXBMFYSA-N 0 0 465.959 2.654 40 0 JFABRN COc1ccc(OCCNC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 ZINC000225157820 569978910 /nfs/dbraw/zinc/97/89/10/569978910.db2.gz YBBIYQFGNDAADZ-UHFFFAOYSA-N 0 0 462.568 2.616 40 0 JFABRN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000408623625 569979330 /nfs/dbraw/zinc/97/93/30/569979330.db2.gz PDZDPXJIPOMCIP-UHFFFAOYSA-N 0 0 469.357 2.796 40 0 JFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccc(Cl)cc1 ZINC000408624332 569979738 /nfs/dbraw/zinc/97/97/38/569979738.db2.gz SLBJKWNQXUXGMN-UHFFFAOYSA-N 0 0 496.029 2.691 40 0 JFABRN CC(C)n1c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cc2sc1=O ZINC000225169148 569979812 /nfs/dbraw/zinc/97/98/12/569979812.db2.gz WXUJZTMBPRDILT-UHFFFAOYSA-N 0 0 474.608 2.832 40 0 JFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C ZINC000408625351 569980081 /nfs/dbraw/zinc/98/00/81/569980081.db2.gz SEYDXPBAEPYZSS-MAIVGLDJSA-N 0 0 471.623 2.918 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccc(Br)cc1 ZINC000408625801 569980309 /nfs/dbraw/zinc/98/03/09/569980309.db2.gz XCBJNEYFIKWTQJ-UHFFFAOYSA-N 0 0 484.391 2.699 40 0 JFABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)Cc2ccccc2)c(C)c1 ZINC000408626031 569980396 /nfs/dbraw/zinc/98/03/96/569980396.db2.gz YAVOKCLCDHYHGA-UHFFFAOYSA-N 0 0 473.639 2.641 40 0 JFABRN CCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1 ZINC000408626364 569980627 /nfs/dbraw/zinc/98/06/27/569980627.db2.gz WTDVIGHKPYMXKL-YLJYHZDGSA-N 0 0 489.594 2.787 40 0 JFABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225182203 569980786 /nfs/dbraw/zinc/98/07/86/569980786.db2.gz CZQBWLJACYEHGB-HSZRJFAPSA-N 0 0 488.654 2.941 40 0 JFABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225187692 569981236 /nfs/dbraw/zinc/98/12/36/569981236.db2.gz JETUCZPTWVYRCG-IBGZPJMESA-N 0 0 492.617 2.772 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000225195358 569981748 /nfs/dbraw/zinc/98/17/48/569981748.db2.gz CJAXVWIZIVVUSA-GOSISDBHSA-N 0 0 453.564 2.769 40 0 JFABRN Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)S(C)(=O)=O ZINC000408630168 569982116 /nfs/dbraw/zinc/98/21/16/569982116.db2.gz OPRGZLIDUDJWAH-MRXNPFEDSA-N 0 0 479.986 2.962 40 0 JFABRN COC(=O)c1cc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000408631002 569982702 /nfs/dbraw/zinc/98/27/02/569982702.db2.gz YYHBDQGEGUMICI-UHFFFAOYSA-N 0 0 462.524 2.788 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225222383 569983551 /nfs/dbraw/zinc/98/35/51/569983551.db2.gz HSTNWIJAPUHQTP-QZTJIDSGSA-N 0 0 493.601 2.932 40 0 JFABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225222280 569983552 /nfs/dbraw/zinc/98/35/52/569983552.db2.gz HFZASQPTFXRFCV-QZTJIDSGSA-N 0 0 493.601 2.932 40 0 JFABRN COC(=O)c1cc(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)cc(C(=O)OC)c1 ZINC000225226990 569984002 /nfs/dbraw/zinc/98/40/02/569984002.db2.gz RILJBRAQWDYSBH-UHFFFAOYSA-N 0 0 455.536 2.851 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225236369 569984749 /nfs/dbraw/zinc/98/47/49/569984749.db2.gz SKWQWQHGNJWHBM-IDPBPBMLSA-N 0 0 457.546 2.799 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225236442 569984777 /nfs/dbraw/zinc/98/47/77/569984777.db2.gz SKWQWQHGNJWHBM-OVQGTLEDSA-N 0 0 457.546 2.799 40 0 JFABRN C[C@@H](C(=O)NCc1cccc(N2CCCC2=O)c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225239372 569984854 /nfs/dbraw/zinc/98/48/54/569984854.db2.gz UYVDTYFFMOITNR-AWEZNQCLSA-N 0 0 451.495 2.563 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225240521 569984960 /nfs/dbraw/zinc/98/49/60/569984960.db2.gz CKFGXLAESJFMJA-IBGZPJMESA-N 0 0 491.997 2.818 40 0 JFABRN CCS(=O)(=O)N1CCC(C(=O)N2CCS/C2=C\c2nc(-c3ccccc3F)no2)CC1 ZINC000225241160 569984973 /nfs/dbraw/zinc/98/49/73/569984973.db2.gz PQYQMOOVUWZRQS-QGOAFFKASA-N 0 0 466.560 2.811 40 0 JFABRN O=C(NC[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000225264732 569986855 /nfs/dbraw/zinc/98/68/55/569986855.db2.gz VKKBTOAOJBAQGF-IBGZPJMESA-N 0 0 464.971 2.838 40 0 JFABRN Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408636732 569986918 /nfs/dbraw/zinc/98/69/18/569986918.db2.gz UMDFWIDCAUESHO-UHFFFAOYSA-N 0 0 471.501 2.877 40 0 JFABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000225267883 569987135 /nfs/dbraw/zinc/98/71/35/569987135.db2.gz RIZYWIWBOOXWAS-FQEVSTJZSA-N 0 0 493.601 2.934 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)CN(Cc3ccccc3Cl)S(C)(=O)=O)n2)cc1 ZINC000225287363 569988401 /nfs/dbraw/zinc/98/84/01/569988401.db2.gz HXGXERNIEUDCPS-UHFFFAOYSA-N 0 0 478.958 2.867 40 0 JFABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000225298615 569988865 /nfs/dbraw/zinc/98/88/65/569988865.db2.gz JFJPQJNHSNPEOS-ZDUSSCGKSA-N 0 0 464.931 2.870 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000225328953 569990665 /nfs/dbraw/zinc/99/06/65/569990665.db2.gz DVCGNCSSEHUCHK-UHFFFAOYSA-N 0 0 457.596 2.761 40 0 JFABRN COc1ccccc1OC[C@@H](C)NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000225337815 569991218 /nfs/dbraw/zinc/99/12/18/569991218.db2.gz FXJBAWNIYWDYSJ-QGZVFWFLSA-N 0 0 478.567 2.596 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1 ZINC000408650472 569993747 /nfs/dbraw/zinc/99/37/47/569993747.db2.gz AWDSMNCFNVXSSZ-CQSZACIVSA-N 0 0 464.305 2.977 40 0 JFABRN CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccc(I)cc1 ZINC000225387221 569994359 /nfs/dbraw/zinc/99/43/59/569994359.db2.gz YLPWJQNPGNWVQB-UHFFFAOYSA-N 0 0 482.409 2.849 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000408651242 569994166 /nfs/dbraw/zinc/99/41/66/569994166.db2.gz CTRKOKGUZWGBPN-ZDUSSCGKSA-N 0 0 464.305 2.977 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1cccc(Cl)c1Cl ZINC000408651342 569994217 /nfs/dbraw/zinc/99/42/17/569994217.db2.gz DFBKURWAVCVKBN-ZDUSSCGKSA-N 0 0 450.278 2.669 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000225388087 569994453 /nfs/dbraw/zinc/99/44/53/569994453.db2.gz CMTPRJROGSYDJT-INIZCTEOSA-N 0 0 451.976 2.578 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000225391076 569994631 /nfs/dbraw/zinc/99/46/31/569994631.db2.gz KVKQBUPISKNFCC-RBUKOAKNSA-N 0 0 475.611 2.793 40 0 JFABRN COc1ccc(CCNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC ZINC000225397295 569994805 /nfs/dbraw/zinc/99/48/05/569994805.db2.gz LCIKMSWVNFEYTB-UHFFFAOYSA-N 0 0 456.511 2.887 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000225393790 569994841 /nfs/dbraw/zinc/99/48/41/569994841.db2.gz NAOOQLIEIRZYMR-INIZCTEOSA-N 0 0 466.003 2.832 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000225398191 569994959 /nfs/dbraw/zinc/99/49/59/569994959.db2.gz DAXQKYKDINIXES-ZWKOTPCHSA-N 0 0 493.601 2.932 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1ccc(Br)c(Cl)c1 ZINC000408652729 569995071 /nfs/dbraw/zinc/99/50/71/569995071.db2.gz HDFPHMCQPVMIGS-CYBMUJFWSA-N 0 0 494.729 2.778 40 0 JFABRN COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)cc1 ZINC000408652708 569995118 /nfs/dbraw/zinc/99/51/18/569995118.db2.gz GXCBWJXQBUFYPR-CQSZACIVSA-N 0 0 475.295 2.771 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1)Nc1cccc(Cl)c1 ZINC000408653074 569995259 /nfs/dbraw/zinc/99/52/59/569995259.db2.gz HRRIDISDAQAGAI-ZDUSSCGKSA-N 0 0 494.729 2.778 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225408636 569995326 /nfs/dbraw/zinc/99/53/26/569995326.db2.gz YFJOTBFBFKPUQY-GKJHBJHPSA-N 0 0 469.582 2.668 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1 ZINC000408654124 569995983 /nfs/dbraw/zinc/99/59/83/569995983.db2.gz JPJWRRPMBWQRPJ-IBGZPJMESA-N 0 0 466.490 2.991 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000225423685 569996126 /nfs/dbraw/zinc/99/61/26/569996126.db2.gz HVXFQOGWFCAMAZ-OAHLLOKOSA-N 0 0 469.966 2.717 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000225423784 569996258 /nfs/dbraw/zinc/99/62/58/569996258.db2.gz BUKHJEVTIDQRJS-OAHLLOKOSA-N 0 0 469.966 2.717 40 0 JFABRN Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 ZINC000408654642 569996286 /nfs/dbraw/zinc/99/62/86/569996286.db2.gz KSHANNNFZDOBPR-AWEZNQCLSA-N 0 0 464.305 2.977 40 0 JFABRN CCOc1cc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)ccc1OC ZINC000225430633 569996425 /nfs/dbraw/zinc/99/64/25/569996425.db2.gz SJZCDTLVPDRTFY-UHFFFAOYSA-N 0 0 462.553 2.985 40 0 JFABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225433644 569996626 /nfs/dbraw/zinc/99/66/26/569996626.db2.gz NDWBGYCCWSYVLC-VQTJNVASSA-N 0 0 489.638 2.836 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000225435449 569996715 /nfs/dbraw/zinc/99/67/15/569996715.db2.gz HOWDNLPEYHPXSY-QGZVFWFLSA-N 0 0 463.575 2.878 40 0 JFABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000225433963 569996722 /nfs/dbraw/zinc/99/67/22/569996722.db2.gz HUTWLISSIZWLNX-QHCPKHFHSA-N 0 0 489.638 2.837 40 0 JFABRN Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000408655831 569997158 /nfs/dbraw/zinc/99/71/58/569997158.db2.gz MLYFASHXUYEBGY-AWEZNQCLSA-N 0 0 464.305 2.977 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000225450647 569997439 /nfs/dbraw/zinc/99/74/39/569997439.db2.gz AOIGUNSDFAXZIX-INIZCTEOSA-N 0 0 496.427 2.687 40 0 JFABRN CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000225450613 569997448 /nfs/dbraw/zinc/99/74/48/569997448.db2.gz AOIGUNSDFAXZIX-MRXNPFEDSA-N 0 0 496.427 2.687 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1N1C(=O)CCC1=O ZINC000225457590 569997684 /nfs/dbraw/zinc/99/76/84/569997684.db2.gz BYQIJSCXWICRPD-UHFFFAOYSA-N 0 0 486.287 2.754 40 0 JFABRN CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225463535 569997929 /nfs/dbraw/zinc/99/79/29/569997929.db2.gz AUSFABDHQVOIRC-INIZCTEOSA-N 0 0 496.427 2.541 40 0 JFABRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1ccc(Cl)cc1Cl ZINC000408657289 569998154 /nfs/dbraw/zinc/99/81/54/569998154.db2.gz OWRIAFYYFVNXPU-CYBMUJFWSA-N 0 0 450.278 2.669 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1ccc(Cl)cc1Cl ZINC000408657290 569998147 /nfs/dbraw/zinc/99/81/47/569998147.db2.gz OWRIAFYYFVNXPU-ZDUSSCGKSA-N 0 0 450.278 2.669 40 0 JFABRN COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)c(OC)c1 ZINC000408657935 569998589 /nfs/dbraw/zinc/99/85/89/569998589.db2.gz QDNUTVHIIWBYHZ-QGZVFWFLSA-N 0 0 484.505 2.804 40 0 JFABRN Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC000408658285 569998786 /nfs/dbraw/zinc/99/87/86/569998786.db2.gz QNAWHOQHSRDHBZ-CQSZACIVSA-N 0 0 464.305 2.977 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C ZINC000225483961 569999072 /nfs/dbraw/zinc/99/90/72/569999072.db2.gz YCRXVPSTJOQWBW-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1NS(C)(=O)=O ZINC000225485181 569999115 /nfs/dbraw/zinc/99/91/15/569999115.db2.gz ANATXORXIPDYNC-VQTJNVASSA-N 0 0 457.581 2.977 40 0 JFABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)cc1 ZINC000408658881 569999251 /nfs/dbraw/zinc/99/92/51/569999251.db2.gz RTIUODNCLXGWJH-FQEVSTJZSA-N 0 0 495.532 2.627 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225486178 569999252 /nfs/dbraw/zinc/99/92/52/569999252.db2.gz BGDHKQLCQSPZMJ-IBGZPJMESA-N 0 0 475.611 2.712 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C ZINC000225489526 569999433 /nfs/dbraw/zinc/99/94/33/569999433.db2.gz JKFGZIUNDQWZFJ-IBGZPJMESA-N 0 0 492.617 2.689 40 0 JFABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1NS(C)(=O)=O ZINC000225493218 569999580 /nfs/dbraw/zinc/99/95/80/569999580.db2.gz DEJVAKKLQSDPQT-PMACEKPBSA-N 0 0 457.581 2.977 40 0 JFABRN COc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1 ZINC000225493022 569999586 /nfs/dbraw/zinc/99/95/86/569999586.db2.gz HYQBPZGQDGWWII-UHFFFAOYSA-N 0 0 474.514 2.601 40 0 JFABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1NS(C)(=O)=O ZINC000225493275 569999623 /nfs/dbraw/zinc/99/96/23/569999623.db2.gz DEJVAKKLQSDPQT-VQTJNVASSA-N 0 0 457.581 2.977 40 0 JFABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1NS(C)(=O)=O ZINC000225493312 569999714 /nfs/dbraw/zinc/99/97/14/569999714.db2.gz DEJVAKKLQSDPQT-WOJBJXKFSA-N 0 0 457.581 2.977 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000225496961 569999918 /nfs/dbraw/zinc/99/99/18/569999918.db2.gz JKOCFBOQQMSZOC-UHFFFAOYSA-N 0 0 454.552 2.598 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(CN4CCCC4=O)cc3)CC2)cc1 ZINC000225499606 570000223 /nfs/dbraw/zinc/00/02/23/570000223.db2.gz FPXOPFJVYZRFDZ-UHFFFAOYSA-N 0 0 485.606 2.535 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000225508413 570000921 /nfs/dbraw/zinc/00/09/21/570000921.db2.gz HWGCGWHLJPOFHH-NQIIRXRSSA-N 0 0 485.606 2.862 40 0 JFABRN CCOc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc1 ZINC000225516449 570001810 /nfs/dbraw/zinc/00/18/10/570001810.db2.gz XVZGUEQBQOQDJY-SFHVURJKSA-N 0 0 470.551 2.852 40 0 JFABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225516612 570001823 /nfs/dbraw/zinc/00/18/23/570001823.db2.gz YQIQQVVXINNTEY-VXNXHJTFSA-N 0 0 473.573 2.714 40 0 JFABRN COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 ZINC000408662676 570001855 /nfs/dbraw/zinc/00/18/55/570001855.db2.gz PEEANPLBWTWRIC-RTBURBONSA-N 0 0 464.474 2.955 40 0 JFABRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000408662791 570001949 /nfs/dbraw/zinc/00/19/49/570001949.db2.gz YACQNAXALMROCW-ZDUSSCGKSA-N 0 0 450.278 2.669 40 0 JFABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2C)C1 ZINC000408663466 570002419 /nfs/dbraw/zinc/00/24/19/570002419.db2.gz YJKOJSVHQKPZLZ-LJQANCHMSA-N 0 0 451.523 2.795 40 0 JFABRN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c(OC)c1OC ZINC000225524205 570002444 /nfs/dbraw/zinc/00/24/44/570002444.db2.gz BCIGIPVKQNVLRR-GOSISDBHSA-N 0 0 462.568 2.738 40 0 JFABRN COc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc(OC)c1OC ZINC000225525163 570002478 /nfs/dbraw/zinc/00/24/78/570002478.db2.gz CWDIWSKGTGYGHA-GOSISDBHSA-N 0 0 462.568 2.738 40 0 JFABRN COc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1 ZINC000225528522 570002802 /nfs/dbraw/zinc/00/28/02/570002802.db2.gz PSBQQGPGIQPEBX-SFHVURJKSA-N 0 0 470.551 2.771 40 0 JFABRN COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000408664547 570003237 /nfs/dbraw/zinc/00/32/37/570003237.db2.gz ZVASCWOVQQSIPF-GFCCVEGCSA-N 0 0 480.304 2.677 40 0 JFABRN COc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1OC ZINC000225538466 570003705 /nfs/dbraw/zinc/00/37/05/570003705.db2.gz IVYYWKPVUSOXCU-SFHVURJKSA-N 0 0 464.559 2.993 40 0 JFABRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C ZINC000225537731 570003731 /nfs/dbraw/zinc/00/37/31/570003731.db2.gz AUMMJQSPGWXVCI-UHFFFAOYSA-N 0 0 452.554 2.757 40 0 JFABRN COC(=O)c1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000225540420 570003910 /nfs/dbraw/zinc/00/39/10/570003910.db2.gz LHLXNYQHDUHBCX-OAHLLOKOSA-N 0 0 450.488 2.660 40 0 JFABRN CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000408666277 570004604 /nfs/dbraw/zinc/00/46/04/570004604.db2.gz XZDGOSGDTSSRGU-UHFFFAOYSA-N 0 0 458.467 2.781 40 0 JFABRN CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1 ZINC000408666307 570004640 /nfs/dbraw/zinc/00/46/40/570004640.db2.gz HGDLPXGPRAUSKF-GOSISDBHSA-N 0 0 481.505 2.747 40 0 JFABRN COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)c(OC)c1 ZINC000408667488 570005432 /nfs/dbraw/zinc/00/54/32/570005432.db2.gz UERFVWICRWMMID-KDURUIRLSA-N 0 0 464.474 2.955 40 0 JFABRN COc1ccc(-c2nnc(NC(=O)CN(c3cc(OC)ccc3OC)S(C)(=O)=O)s2)cc1 ZINC000225560828 570005759 /nfs/dbraw/zinc/00/57/59/570005759.db2.gz OZDIPDPHRKAPSJ-UHFFFAOYSA-N 0 0 478.552 2.636 40 0 JFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@@H]4C3=O)cc2)cc1 ZINC000408669347 570006520 /nfs/dbraw/zinc/00/65/20/570006520.db2.gz WDPPBUYNOOTDDW-QPJICYPMSA-N 0 0 476.485 2.970 40 0 JFABRN CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000225571330 570006551 /nfs/dbraw/zinc/00/65/51/570006551.db2.gz BMAUNFYPKLJUNL-FQEVSTJZSA-N 0 0 450.582 2.756 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225571033 570006553 /nfs/dbraw/zinc/00/65/53/570006553.db2.gz GTUJGXUXZHEAGC-INIZCTEOSA-N 0 0 491.997 2.817 40 0 JFABRN Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000225580764 570007248 /nfs/dbraw/zinc/00/72/48/570007248.db2.gz RUFHFJYTPOUFSE-SFHVURJKSA-N 0 0 463.575 2.842 40 0 JFABRN COc1cccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000225586863 570007813 /nfs/dbraw/zinc/00/78/13/570007813.db2.gz AZFKTAGHVGYSKS-UHFFFAOYSA-N 0 0 464.931 2.678 40 0 JFABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000225589960 570008161 /nfs/dbraw/zinc/00/81/61/570008161.db2.gz LKHNAVGJNKUMMM-QGZVFWFLSA-N 0 0 496.580 2.520 40 0 JFABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225590486 570008167 /nfs/dbraw/zinc/00/81/67/570008167.db2.gz CXXPRAKBZMXZPL-KRWDZBQOSA-N 0 0 489.569 2.692 40 0 JFABRN Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1=O ZINC000408673185 570008646 /nfs/dbraw/zinc/00/86/46/570008646.db2.gz ZHBVJPFVQJHMOJ-CYBMUJFWSA-N 0 0 464.305 2.977 40 0 JFABRN COc1ccccc1C(=O)Oc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 ZINC000408673708 570008828 /nfs/dbraw/zinc/00/88/28/570008828.db2.gz XQVSZVYPWDNZBG-XFJUBTJUSA-N 0 0 450.443 2.838 40 0 JFABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)c(C)c2)cc1 ZINC000408675363 570010339 /nfs/dbraw/zinc/01/03/39/570010339.db2.gz WUSLECMYNLHBQX-UHFFFAOYSA-N 0 0 458.540 2.586 40 0 JFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000225623502 570010389 /nfs/dbraw/zinc/01/03/89/570010389.db2.gz JYCFARDTDYALTM-SFHVURJKSA-N 0 0 466.556 2.582 40 0 JFABRN COC(=O)c1cccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1C ZINC000225623139 570010453 /nfs/dbraw/zinc/01/04/53/570010453.db2.gz QGQUGXLDZVQZPW-UHFFFAOYSA-N 0 0 462.524 2.738 40 0 JFABRN COc1cccc(-c2noc(CNC(=O)CCCN(c3ccccc3C)S(C)(=O)=O)n2)c1 ZINC000225637205 570011290 /nfs/dbraw/zinc/01/12/90/570011290.db2.gz WKPXXYYUSCVBQV-UHFFFAOYSA-N 0 0 458.540 2.916 40 0 JFABRN CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)CC1 ZINC000408680346 570012215 /nfs/dbraw/zinc/01/22/15/570012215.db2.gz YLBZVXQZQDGBLD-UHFFFAOYSA-N 0 0 460.552 2.589 40 0 JFABRN COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC ZINC000225705387 570016121 /nfs/dbraw/zinc/01/61/21/570016121.db2.gz STROATQFYWFMRO-CQSZACIVSA-N 0 0 456.511 2.886 40 0 JFABRN COc1ccc(S(=O)(=O)NCCSCc2ccccc2C)cc1C(=O)N1CCOCC1 ZINC000408693459 570016136 /nfs/dbraw/zinc/01/61/36/570016136.db2.gz VOHMENSFMXMDGP-UHFFFAOYSA-N 0 0 464.609 2.688 40 0 JFABRN Cc1cccc(N2CCN(C(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)CC2)c1C ZINC000225709895 570016471 /nfs/dbraw/zinc/01/64/71/570016471.db2.gz AKQHMNBCXGIKED-UHFFFAOYSA-N 0 0 487.622 2.970 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000225711050 570016602 /nfs/dbraw/zinc/01/66/02/570016602.db2.gz VWIPFWQEPAVERV-HXUWFJFHSA-N 0 0 489.594 2.513 40 0 JFABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225714879 570016983 /nfs/dbraw/zinc/01/69/83/570016983.db2.gz ZCVGHZNMAVPOIR-JOCHJYFZSA-N 0 0 459.612 2.948 40 0 JFABRN CC(C)n1c2ccc(S(=O)(=O)NCc3ccccc3CN3CCOCC3)cc2sc1=O ZINC000225718677 570017352 /nfs/dbraw/zinc/01/73/52/570017352.db2.gz UGPVUYRWJBVGFN-UHFFFAOYSA-N 0 0 461.609 2.955 40 0 JFABRN CCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1S(=O)(=O)N1CCCC1 ZINC000408697484 570019365 /nfs/dbraw/zinc/01/93/65/570019365.db2.gz JSIVLQKIXDUWAV-UHFFFAOYSA-N 0 0 492.550 2.926 40 0 JFABRN Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)Nc1ccc(I)cc1 ZINC000225881639 570026236 /nfs/dbraw/zinc/02/62/36/570026236.db2.gz DVGYBPWVIAUWDQ-UHFFFAOYSA-N 0 0 451.311 2.704 40 0 JFABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000408700367 570021133 /nfs/dbraw/zinc/02/11/33/570021133.db2.gz DSGBVGCLRZFVBH-UHFFFAOYSA-N 0 0 463.625 2.686 40 0 JFABRN CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408703440 570023210 /nfs/dbraw/zinc/02/32/10/570023210.db2.gz GAJZAFDQIGTJBM-INIZCTEOSA-N 0 0 475.567 2.733 40 0 JFABRN Cc1ccccc1N(CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(C)(=O)=O ZINC000225822539 570023472 /nfs/dbraw/zinc/02/34/72/570023472.db2.gz IISYVISPMMZKMF-UHFFFAOYSA-N 0 0 473.595 2.614 40 0 JFABRN Cc1ccc(SCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000408704630 570024150 /nfs/dbraw/zinc/02/41/50/570024150.db2.gz QSBYIXPCYKOBLV-MRXNPFEDSA-N 0 0 450.582 2.829 40 0 JFABRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1N1C(=O)CCC1=O ZINC000225839457 570024159 /nfs/dbraw/zinc/02/41/59/570024159.db2.gz VYMKRYYDAKRYJB-UHFFFAOYSA-N 0 0 457.508 2.585 40 0 JFABRN COC(=O)c1cc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)ccc1Cl ZINC000408704734 570024238 /nfs/dbraw/zinc/02/42/38/570024238.db2.gz RZMXAWGPEOWXIW-GFCCVEGCSA-N 0 0 468.915 2.691 40 0 JFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 ZINC000408705081 570024338 /nfs/dbraw/zinc/02/43/38/570024338.db2.gz XYYDLVLKIUFHBH-KRWDZBQOSA-N 0 0 494.013 2.923 40 0 JFABRN Cc1cccc(N2CCN(C(=O)[C@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)CC2)c1C ZINC000408705070 570024374 /nfs/dbraw/zinc/02/43/74/570024374.db2.gz XTDNZVHYZUOOTK-IBGZPJMESA-N 0 0 473.595 2.578 40 0 JFABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000408705125 570024422 /nfs/dbraw/zinc/02/44/22/570024422.db2.gz YMAPEEJLXUPHFI-GFCCVEGCSA-N 0 0 468.915 2.691 40 0 JFABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408705200 570024481 /nfs/dbraw/zinc/02/44/81/570024481.db2.gz ZQIKQVCKTCUGTR-MRXNPFEDSA-N 0 0 475.567 2.781 40 0 JFABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccccc1Br ZINC000408713404 570025471 /nfs/dbraw/zinc/02/54/71/570025471.db2.gz XBUUONKOLQDPQI-UHFFFAOYSA-N 0 0 480.384 2.879 40 0 JFABRN COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000408713812 570025698 /nfs/dbraw/zinc/02/56/98/570025698.db2.gz ZAMQVHBREZYVSF-UHFFFAOYSA-N 0 0 453.520 2.567 40 0 JFABRN COc1ccc(-c2nnc(CN(C)C(=O)CCCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)o2)cc1OC ZINC000408714702 570025919 /nfs/dbraw/zinc/02/59/19/570025919.db2.gz VPBQNZPPVMGXCG-IRXDYDNUSA-N 0 0 470.526 2.668 40 0 JFABRN CC(C)CSc1nnc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 ZINC000225871542 570025989 /nfs/dbraw/zinc/02/59/89/570025989.db2.gz LUSHDKFKHLPKGO-LBPRGKRZSA-N 0 0 472.614 2.851 40 0 JFABRN CC(C)CSc1nnc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 ZINC000225871525 570025990 /nfs/dbraw/zinc/02/59/90/570025990.db2.gz LUSHDKFKHLPKGO-GFCCVEGCSA-N 0 0 472.614 2.851 40 0 JFABRN O=C(CCN1C(=O)c2ccccc2C1=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000225874971 570026001 /nfs/dbraw/zinc/02/60/01/570026001.db2.gz OTDWUCJBUXQWQJ-XMMPIXPASA-N 0 0 483.524 2.826 40 0 JFABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC)c3ccc(S(C)(=O)=O)cc3)ccc21 ZINC000225875564 570026163 /nfs/dbraw/zinc/02/61/63/570026163.db2.gz ZRZKDNGWMHDVDU-LJQANCHMSA-N 0 0 450.582 2.819 40 0 JFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000225883518 570026382 /nfs/dbraw/zinc/02/63/82/570026382.db2.gz QBLUTOPAUDDOQU-LJQANCHMSA-N 0 0 476.595 2.541 40 0 JFABRN C[C@@H]1CCCCN1c1cc(N2CCCCCC2)nc(NC(=S)NCCN2CCOCC2)n1 ZINC000225904510 570026704 /nfs/dbraw/zinc/02/67/04/570026704.db2.gz GZODXBYYUBYODZ-LJQANCHMSA-N 0 0 461.680 2.854 40 0 JFABRN C[C@H]1C[C@H](C)CN(c2cc(N3CCCCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000225904703 570026769 /nfs/dbraw/zinc/02/67/69/570026769.db2.gz QNDODKRXXJEXMG-PMACEKPBSA-N 0 0 475.707 2.958 40 0 JFABRN S=C(NCCN1CCOCC1)Nc1nc(Sc2ncccn2)cc(N2Cc3ccccc3C2)n1 ZINC000225904976 570026818 /nfs/dbraw/zinc/02/68/18/570026818.db2.gz IEXSJUKXEGGYCI-UHFFFAOYSA-N 0 0 494.650 2.557 40 0 JFABRN O=C1CCC(=O)N1c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1 ZINC000408722178 570027119 /nfs/dbraw/zinc/02/71/19/570027119.db2.gz QJSFXGILGDMTQF-UHFFFAOYSA-N 0 0 456.261 2.745 40 0 JFABRN S=C(NCc1ccco1)Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225911957 570027237 /nfs/dbraw/zinc/02/72/37/570027237.db2.gz CDGZPEDPWCQZAM-UHFFFAOYSA-N 0 0 479.610 2.719 40 0 JFABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)c1 ZINC000225919536 570027505 /nfs/dbraw/zinc/02/75/05/570027505.db2.gz SMDNXIPMYJRNCP-UHFFFAOYSA-N 0 0 464.341 2.619 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c2ccccc2O1 ZINC000225924581 570027934 /nfs/dbraw/zinc/02/79/34/570027934.db2.gz GWLQTHCNEJGWLZ-NRFANRHFSA-N 0 0 472.563 2.671 40 0 JFABRN Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCSc2nc[nH]n2)c1 ZINC000225939028 570028743 /nfs/dbraw/zinc/02/87/43/570028743.db2.gz RNCHFVAZHURMDH-UHFFFAOYSA-N 0 0 473.624 2.563 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc4c(c3)OCO4)sc2=N[C@H]1c1ccc(OC)cc1 ZINC000408730352 570029008 /nfs/dbraw/zinc/02/90/08/570029008.db2.gz FVBZMKFFFJDRNA-AFHVAHMMSA-N 0 0 478.526 2.645 40 0 JFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3O)sc2=N[C@@H]1c1ccc(O)c(OCC)c1 ZINC000408732440 570029529 /nfs/dbraw/zinc/02/95/29/570029529.db2.gz RLPIGRHLVGMZCO-VLOXRPPESA-N 0 0 480.542 2.717 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408737607 570030833 /nfs/dbraw/zinc/03/08/33/570030833.db2.gz DVOHIXJAKWRJTK-CVGPFBNFSA-N 0 0 494.569 2.911 40 0 JFABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccccc2)cc1 ZINC000226009365 570032250 /nfs/dbraw/zinc/03/22/50/570032250.db2.gz SUCZGENEWJSQHF-UHFFFAOYSA-N 0 0 467.547 2.553 40 0 JFABRN O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCCSc1nc[nH]n1 ZINC000226021499 570033238 /nfs/dbraw/zinc/03/32/38/570033238.db2.gz MORVABWBDWXCKK-UHFFFAOYSA-N 0 0 483.978 2.697 40 0 JFABRN COC(=O)[C@@H]1CN(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000226026926 570033325 /nfs/dbraw/zinc/03/33/25/570033325.db2.gz QTUTVIUOSPQOBW-QHCPKHFHSA-N 0 0 498.532 2.984 40 0 JFABRN Cc1nc(SCCNC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC000226022234 570033335 /nfs/dbraw/zinc/03/33/35/570033335.db2.gz LHAZXQXPCBBRJU-UHFFFAOYSA-N 0 0 477.587 2.660 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCNc2ccnc3cc(Cl)ccc32)cc1OC ZINC000226037297 570033747 /nfs/dbraw/zinc/03/37/47/570033747.db2.gz FMBPOVDAGKJWQQ-UHFFFAOYSA-N 0 0 492.985 2.754 40 0 JFABRN CN1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCC(N)=O)sc3c2)CC1 ZINC000408750249 570033945 /nfs/dbraw/zinc/03/39/45/570033945.db2.gz YPSLVMRUAJPEBG-UHFFFAOYSA-N 0 0 469.592 2.514 40 0 JFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000226047136 570034105 /nfs/dbraw/zinc/03/41/05/570034105.db2.gz LGAZSGKKOBHOOE-UHFFFAOYSA-N 0 0 486.974 2.654 40 0 JFABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2)n1 ZINC000226046489 570034156 /nfs/dbraw/zinc/03/41/56/570034156.db2.gz GDFLPQXMBAODDU-UHFFFAOYSA-N 0 0 470.526 2.924 40 0 JFABRN CCN(CC(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000226055013 570034703 /nfs/dbraw/zinc/03/47/03/570034703.db2.gz SSJVOKAVSUMAMP-KRWDZBQOSA-N 0 0 487.361 2.971 40 0 JFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2c(OC)cccc2OC)cc1C ZINC000226065089 570035382 /nfs/dbraw/zinc/03/53/82/570035382.db2.gz YIWWXTOOAUOJJV-UHFFFAOYSA-N 0 0 450.557 2.738 40 0 JFABRN CCOC(=O)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000226074480 570036065 /nfs/dbraw/zinc/03/60/65/570036065.db2.gz YEBDRZJCZCKJAP-UHFFFAOYSA-N 0 0 490.578 2.849 40 0 JFABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cn2c3c(cccc3c1=O)CCC2 ZINC000226093589 570037085 /nfs/dbraw/zinc/03/70/85/570037085.db2.gz PJMPPVNMJDXASM-UHFFFAOYSA-N 0 0 465.575 2.705 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408781555 570041688 /nfs/dbraw/zinc/04/16/88/570041688.db2.gz BOGAXFZMAOQBFU-JCAJYURWSA-N 0 0 468.506 2.652 40 0 JFABRN COC(=O)[C@@H]1NC(c2ccccc2)(c2ccccc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000230528442 570046560 /nfs/dbraw/zinc/04/65/60/570046560.db2.gz QLGNKQPVFSIVOY-XPWALMASSA-N 0 0 456.498 2.889 40 0 JFABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1OCC(=O)OC ZINC000408818082 570051171 /nfs/dbraw/zinc/05/11/71/570051171.db2.gz MUNOITZDYKNMLX-GHXNOFRVSA-N 0 0 477.276 2.908 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408827066 570052540 /nfs/dbraw/zinc/05/25/40/570052540.db2.gz UNQNHNXYKFSJGM-FGGAIWKESA-N 0 0 476.554 2.893 40 0 JFABRN CC(C)(C)NC(=O)[C@@H]1N(Cc2cccs2)C(=O)[C@@H]2[C@H](C(=O)NCc3ccc(F)cc3)[C@H]3C=C[C@]21O3 ZINC000245229648 570056068 /nfs/dbraw/zinc/05/60/68/570056068.db2.gz CLJFBGWDFWTDFS-YDCHLWPWSA-N 0 0 497.592 2.769 40 0 JFABRN Cc1cc(NC(=O)CCC(=O)N(C[C@@H]2CCCO2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)no1 ZINC000245229595 570056085 /nfs/dbraw/zinc/05/60/85/570056085.db2.gz BPHBXBBOURPMFT-TYBLODHISA-N 0 0 498.580 2.746 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408857457 570056811 /nfs/dbraw/zinc/05/68/11/570056811.db2.gz GVJGODLNGSTCDF-IMEWXKHHSA-N 0 0 465.575 2.762 40 0 JFABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4)c(=O)n32)cc1OCC ZINC000408933718 570080838 /nfs/dbraw/zinc/08/08/38/570080838.db2.gz KIUXIEWEGYDFHD-YRUATGHUSA-N 0 0 464.543 2.816 40 0 JFABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408943673 570083165 /nfs/dbraw/zinc/08/31/65/570083165.db2.gz LTMHGCFHRCYGDF-JYWRCUDFSA-N 0 0 470.934 2.776 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000408990806 570093965 /nfs/dbraw/zinc/09/39/65/570093965.db2.gz WMEHSEZHQOXWIP-FNGUVFISSA-N 0 0 452.507 2.946 40 0 JFABRN CCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000408992897 570094563 /nfs/dbraw/zinc/09/45/63/570094563.db2.gz UXLREFGALPBJSS-QGZVFWFLSA-N 0 0 472.348 2.707 40 0 JFABRN O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(CC1CC1)CC2=O)N1CCOCC1 ZINC000253399578 570096430 /nfs/dbraw/zinc/09/64/30/570096430.db2.gz JRSSOMHJOKTVED-MCTKTUQPSA-N 0 0 467.610 2.561 40 0 JFABRN CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000409003738 570097163 /nfs/dbraw/zinc/09/71/63/570097163.db2.gz KOWOMQDGBICGRE-UHFFFAOYSA-N 0 0 473.595 2.795 40 0 JFABRN CCOC(=O)C1CCN(C(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000409006075 570098054 /nfs/dbraw/zinc/09/80/54/570098054.db2.gz LQZWHMHFVQAJEL-UHFFFAOYSA-N 0 0 458.580 2.988 40 0 JFABRN C[C@@H]1CCCN([C@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc4c(cc3[nH]c2=O)OCCO4)C1 ZINC000253499991 570101245 /nfs/dbraw/zinc/10/12/45/570101245.db2.gz MBAZTGAUPXLYDG-JLDZCNIISA-N 0 0 466.542 2.698 40 0 JFABRN C[C@@H]1CCCN([C@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000253499982 570101259 /nfs/dbraw/zinc/10/12/59/570101259.db2.gz BRPYVDXPMKQHJZ-NVAPDCRFSA-N 0 0 452.515 2.656 40 0 JFABRN CC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500318 570101338 /nfs/dbraw/zinc/10/13/38/570101338.db2.gz BMSVTIBRIMWQGY-SFHLNBCPSA-N 0 0 496.568 2.967 40 0 JFABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500432 570101721 /nfs/dbraw/zinc/10/17/21/570101721.db2.gz NTLSGMDWYIJVTL-UXHICEINSA-N 0 0 468.558 2.931 40 0 JFABRN COc1cc(C(=O)N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc(OC)c1OC ZINC000409018663 570102333 /nfs/dbraw/zinc/10/23/33/570102333.db2.gz OAMAAPZEPGIQOL-UHFFFAOYSA-N 0 0 481.593 2.909 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccc(I)cc1 ZINC000409025877 570104370 /nfs/dbraw/zinc/10/43/70/570104370.db2.gz ZGKIKEOTJBVKQP-UHFFFAOYSA-N 0 0 470.332 2.642 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cccc(OC)c3OC)sc2=N1 ZINC000409034833 570106331 /nfs/dbraw/zinc/10/63/31/570106331.db2.gz IJGIJHQXLPFHNX-CKNGIZQFSA-N 0 0 464.543 2.816 40 0 JFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(NC(C)=O)cc3)sc2=N1 ZINC000409035903 570106605 /nfs/dbraw/zinc/10/66/05/570106605.db2.gz UPIYZLZUBOJZKO-FBHQFGEZSA-N 0 0 461.543 2.757 40 0 JFABRN COc1ccc(NC(=O)COc2cccc(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)c2)cc1 ZINC000256055370 570106936 /nfs/dbraw/zinc/10/69/36/570106936.db2.gz DRCPBHIQRVNJAB-STZFKDTASA-N 0 0 485.525 2.787 40 0 JFABRN O=C(COc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O)Nc1ccccc1 ZINC000256055677 570107037 /nfs/dbraw/zinc/10/70/37/570107037.db2.gz PHWJDIQEYWCHBS-ZHZULCJRSA-N 0 0 455.499 2.778 40 0 JFABRN COc1cc(-c2noc(CCCC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)n2)cc(OC)c1OC ZINC000257199033 570107409 /nfs/dbraw/zinc/10/74/09/570107409.db2.gz PSDJRLCAASUBCL-FUHWJXTLSA-N 0 0 494.548 2.893 40 0 JFABRN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000257199231 570107539 /nfs/dbraw/zinc/10/75/39/570107539.db2.gz XFWSZALVEWOUNG-DSNGTPCMSA-N 0 0 494.551 2.999 40 0 JFABRN COc1cc(-c2noc(CCC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)n2)cc(OC)c1OC ZINC000257199164 570107552 /nfs/dbraw/zinc/10/75/52/570107552.db2.gz VLZGPXZSQYLIJL-DOTOQJQBSA-N 0 0 480.521 2.503 40 0 JFABRN O=C(CCCc1cn[nH]c1)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257203299 570108885 /nfs/dbraw/zinc/10/88/85/570108885.db2.gz APKWATABZHCCMC-UGKGYDQZSA-N 0 0 474.989 2.931 40 0 JFABRN Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(N)=O)C1 ZINC000257208339 570110399 /nfs/dbraw/zinc/11/03/99/570110399.db2.gz BLTCSHGUEQHQCL-KXBFYZLASA-N 0 0 463.376 2.893 40 0 JFABRN Cn1nccc1C(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257208451 570110606 /nfs/dbraw/zinc/11/06/06/570110606.db2.gz BMEVMEZSLZJNBV-DEOSSOPVSA-N 0 0 474.005 2.539 40 0 JFABRN CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)CN2CCOCC2)CC[C@@H]1Oc1ccccc1 ZINC000257214637 570112428 /nfs/dbraw/zinc/11/24/28/570112428.db2.gz CMRYDPIGLRAVGX-ZCYQVOJMSA-N 0 0 465.594 2.663 40 0 JFABRN Cn1nccc1CCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257217082 570113330 /nfs/dbraw/zinc/11/33/30/570113330.db2.gz CXIMYVHJUPXDBK-AVRDEDQJSA-N 0 0 474.989 2.551 40 0 JFABRN Cc1cc(C)n(CC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCOCC3)C2)n1 ZINC000257217158 570113331 /nfs/dbraw/zinc/11/33/31/570113331.db2.gz CXUACSHJFOPJSJ-UGKGYDQZSA-N 0 0 474.989 2.698 40 0 JFABRN O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCO ZINC000409060002 570113663 /nfs/dbraw/zinc/11/36/63/570113663.db2.gz UGMOOMMMLATWJC-UHFFFAOYSA-N 0 0 451.759 2.946 40 0 JFABRN CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CCCCCNC(=O)c1cccnc1 ZINC000257221739 570114513 /nfs/dbraw/zinc/11/45/13/570114513.db2.gz DQHZQMJGYORWMY-HHHXNRCGSA-N 0 0 490.608 2.805 40 0 JFABRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc2c(cc1OC)OCO2 ZINC000409062044 570114824 /nfs/dbraw/zinc/11/48/24/570114824.db2.gz MJGWATKMTNURRV-PXNMLYILSA-N 0 0 456.476 2.580 40 0 JFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000257224875 570115537 /nfs/dbraw/zinc/11/55/37/570115537.db2.gz FDUJTCRWUPIJSO-MRXNPFEDSA-N 0 0 484.988 2.899 40 0 JFABRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409064203 570115746 /nfs/dbraw/zinc/11/57/46/570115746.db2.gz OIQPEKARCMGZCU-WWNSAXIVSA-N 0 0 457.888 2.888 40 0 JFABRN CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccnc1Nc1cccc(OC)c1 ZINC000257226372 570115962 /nfs/dbraw/zinc/11/59/62/570115962.db2.gz FKJRGWQMFRWBDO-HSZRJFAPSA-N 0 0 459.550 2.906 40 0 JFABRN CN1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCn3ccnc3)C2)CC1 ZINC000257228090 570116466 /nfs/dbraw/zinc/11/64/66/570116466.db2.gz FSGGMVLKZAIAEK-VWLOTQADSA-N 0 0 488.032 2.779 40 0 JFABRN Cc1cnn(CC(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000257231438 570117354 /nfs/dbraw/zinc/11/73/54/570117354.db2.gz GGQYSQDJDHFAEP-UHFFFAOYSA-N 0 0 488.032 2.697 40 0 JFABRN COC(=O)C(=Cc1cc(Br)c(OS(=O)(=O)c2ccccc2)c(OC)c1)C(=O)OC ZINC000409069564 570117723 /nfs/dbraw/zinc/11/77/23/570117723.db2.gz LPCBYBOIXAJFEM-UHFFFAOYSA-N 0 0 485.308 2.955 40 0 JFABRN Cc1cc(N2CCC[C@](O)(CN(C)C(=O)CCc3nc4cc(Cl)ccc4n3C)C2)ncn1 ZINC000257236782 570119228 /nfs/dbraw/zinc/11/92/28/570119228.db2.gz HDTJPWVTBWGRJI-QHCPKHFHSA-N 0 0 456.978 2.748 40 0 JFABRN C[C@]1(O)CCN(C(=O)c2ccc(OCCN3CCCC3=O)cc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257244539 570121408 /nfs/dbraw/zinc/12/14/08/570121408.db2.gz ILUQEEKPHZSSNI-DHLKQENFSA-N 0 0 456.514 2.871 40 0 JFABRN COCCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000409083236 570122207 /nfs/dbraw/zinc/12/22/07/570122207.db2.gz NVKGEXVDFLYDOC-UHFFFAOYSA-N 0 0 455.374 2.711 40 0 JFABRN CN(C(=O)Cn1cc(Cl)cn1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257247404 570122324 /nfs/dbraw/zinc/12/23/24/570122324.db2.gz IYWSXPUASXOUIW-FZUYCCLGSA-N 0 0 461.990 2.992 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409088944 570124194 /nfs/dbraw/zinc/12/41/94/570124194.db2.gz LEPUQFPSBVWVCP-VOSMRYOYSA-N 0 0 481.574 2.714 40 0 JFABRN Cc1nc(N(C)C)cc([C@@]2(C)CCCN(C(=O)c3ccccc3OCCN3CCOCC3)C2)n1 ZINC000257254622 570124636 /nfs/dbraw/zinc/12/46/36/570124636.db2.gz KDYWMLCANHTFPA-SANMLTNESA-N 0 0 467.614 2.756 40 0 JFABRN CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000257254974 570124673 /nfs/dbraw/zinc/12/46/73/570124673.db2.gz KFONEVKUKUGYKH-SANMLTNESA-N 0 0 456.550 2.978 40 0 JFABRN Cc1nn(C)cc1NC(=O)CN1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1 ZINC000257255832 570124939 /nfs/dbraw/zinc/12/49/39/570124939.db2.gz KJAQEPXYCMCCDR-OAQYLSRUSA-N 0 0 476.585 2.516 40 0 JFABRN CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000257259789 570126204 /nfs/dbraw/zinc/12/62/04/570126204.db2.gz LAACHVPTRUCAPK-NRFANRHFSA-N 0 0 489.498 2.740 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409097212 570127087 /nfs/dbraw/zinc/12/70/87/570127087.db2.gz HWHMPYVBMKCRQH-FIWMFUAISA-N 0 0 494.617 2.771 40 0 JFABRN COc1ccccc1C(=O)N1CC[C@@H](Cc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)C1 ZINC000257265805 570128201 /nfs/dbraw/zinc/12/82/01/570128201.db2.gz MAKCDYNLWKWDIX-IBGZPJMESA-N 0 0 490.612 2.717 40 0 JFABRN CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc2cccc3c2CCCC3)[C@H]1c1ccccc1 ZINC000257268218 570128969 /nfs/dbraw/zinc/12/89/69/570128969.db2.gz MKSORNOAZOMKKC-GNKBHMEESA-N 0 0 462.594 2.912 40 0 JFABRN COC(C)(C)C(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257268028 570128991 /nfs/dbraw/zinc/12/89/91/570128991.db2.gz MJYHURMCMVHDOW-LPHOPBHVSA-N 0 0 483.403 2.719 40 0 JFABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409106047 570130193 /nfs/dbraw/zinc/13/01/93/570130193.db2.gz LVLUYEVVDJCIJD-JDCXBEBJSA-N 0 0 477.586 2.818 40 0 JFABRN NC(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000257274427 570130915 /nfs/dbraw/zinc/13/09/15/570130915.db2.gz NLAOSQUSAAUETG-OAQYLSRUSA-N 0 0 462.554 2.670 40 0 JFABRN Cc1cc(N2CCC[C@](O)(CN(C)C(=O)COCc3nc4ccccc4n3C)C2)c2cnccc2n1 ZINC000257274651 570131045 /nfs/dbraw/zinc/13/10/45/570131045.db2.gz NLZBMNFINVTRDF-MHZLTWQESA-N 0 0 488.592 2.831 40 0 JFABRN Cc1c(NC(=O)CN2CCCC[C@H]2c2nc(C)cc(Oc3ccc(C(N)=O)cc3)n2)cnn1C ZINC000257275004 570131171 /nfs/dbraw/zinc/13/11/71/570131171.db2.gz NNOUFPUFVRMHQH-FQEVSTJZSA-N 0 0 463.542 2.884 40 0 JFABRN COc1ccc([C@H]2CN(C(=O)C(C)(C)NC(=O)Cc3ccccc3F)CCN2C(C)=O)cc1 ZINC000257284429 570133914 /nfs/dbraw/zinc/13/39/14/570133914.db2.gz PCRMSFLRZCLCMH-JOCHJYFZSA-N 0 0 455.530 2.704 40 0 JFABRN COc1ccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCOCC3)C2)cc1 ZINC000257284221 570133964 /nfs/dbraw/zinc/13/39/64/570133964.db2.gz PBUHNNVPQIVREQ-CVDCTZTESA-N 0 0 456.514 2.993 40 0 JFABRN CC(=O)N1CCN(CC(=O)NCc2nc3ccccc3n2C)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257286047 570134436 /nfs/dbraw/zinc/13/44/36/570134436.db2.gz PJZJTEXRMSRFLR-DEOSSOPVSA-N 0 0 463.582 2.882 40 0 JFABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409118032 570134697 /nfs/dbraw/zinc/13/46/97/570134697.db2.gz SBEAWZHUBGTMGA-LCPUNJGISA-N 0 0 477.517 2.568 40 0 JFABRN Cc1ncncc1C(=O)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)CC1 ZINC000257288788 570135118 /nfs/dbraw/zinc/13/51/18/570135118.db2.gz PVROPQHRNNFENO-UHFFFAOYSA-N 0 0 486.016 2.904 40 0 JFABRN COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(CC(=O)Nc4ccc5c(c4)OCCO5)C[C@@H]32)cc1 ZINC000257292045 570136077 /nfs/dbraw/zinc/13/60/77/570136077.db2.gz QJSMWJCLYWZCMN-DNVJHFABSA-N 0 0 465.550 2.741 40 0 JFABRN O=C(COc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O)Nc1ccc(F)cc1 ZINC000409122823 570136496 /nfs/dbraw/zinc/13/64/96/570136496.db2.gz CDBOSPZWODOTKZ-DEDYPNTBSA-N 0 0 499.520 2.738 40 0 JFABRN CC1(C(=O)N2CC[C@@]3(CN(Cc4ccc(F)cc4)C(=O)O3)C2)CCN(c2ncccn2)CC1 ZINC000257297056 570137670 /nfs/dbraw/zinc/13/76/70/570137670.db2.gz RFPCUQVKGIIIME-DEOSSOPVSA-N 0 0 453.518 2.846 40 0 JFABRN C[C@]12C[C@@H](c3ccccc3)C[C@](CO)(CC[C@@H](NC(=O)c3cccc4c3OCCO4)[C@@H]1O)O2 ZINC000257297678 570137753 /nfs/dbraw/zinc/13/77/53/570137753.db2.gz RILUDBNFNJGSSA-UPHSLPBVSA-N 0 0 453.535 2.795 40 0 JFABRN CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3cccc(C(F)(F)F)c3)CCN2C(C)=O)c1 ZINC000257299702 570138377 /nfs/dbraw/zinc/13/83/77/570138377.db2.gz RRCVEAKSABUMLS-FQEVSTJZSA-N 0 0 462.472 2.909 40 0 JFABRN Cc1cc(NC(=O)CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)nn1C ZINC000257308445 570140862 /nfs/dbraw/zinc/14/08/62/570140862.db2.gz TWSDXSSUOZTGOL-HXUWFJFHSA-N 0 0 476.585 2.516 40 0 JFABRN CCc1ccc(NC(=O)CN2CC[C@@]3(NC(C)=O)CN(C(C)=O)[C@H](c4ccccc4)[C@H]3C2)cc1 ZINC000257308813 570141072 /nfs/dbraw/zinc/14/10/72/570141072.db2.gz TYEYLTNXBSHSHC-ZRJLEYOISA-N 0 0 462.594 2.988 40 0 JFABRN Cn1nccc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCN(C)CC2)CC1 ZINC000257311584 570141993 /nfs/dbraw/zinc/14/19/93/570141993.db2.gz UKEXTDMMUKYBNZ-UHFFFAOYSA-N 0 0 474.005 2.539 40 0 JFABRN Cc1nc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCOCC3)C2)co1 ZINC000257313022 570142445 /nfs/dbraw/zinc/14/24/45/570142445.db2.gz UQRIASFUJRTFCW-JXFKEZNVSA-N 0 0 492.370 2.904 40 0 JFABRN CCOCCCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000409136443 570142489 /nfs/dbraw/zinc/14/24/89/570142489.db2.gz ZAALQJZKMNAKDW-UHFFFAOYSA-N 0 0 480.583 2.841 40 0 JFABRN CN1CCN(C(=O)c2ccccc2Cn2cccn2)C[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000257314777 570142946 /nfs/dbraw/zinc/14/29/46/570142946.db2.gz UYKBALMISFEHMI-VWLOTQADSA-N 0 0 472.593 2.927 40 0 JFABRN CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2cccnc2Oc2ccc(C)nc2)c1 ZINC000257317860 570143815 /nfs/dbraw/zinc/14/38/15/570143815.db2.gz VLMLGGUQXJLZGG-QHCPKHFHSA-N 0 0 473.533 2.983 40 0 JFABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)CC1 ZINC000409142018 570145097 /nfs/dbraw/zinc/14/50/97/570145097.db2.gz AGYLTWIFOMLYQY-GOSISDBHSA-N 0 0 474.579 2.907 40 0 JFABRN COc1ccc([C@@H]2CN(C(=O)c3cc(C)nc(C4(C)CCN(C(C)=O)CC4)n3)CCN2C)cc1 ZINC000257322151 570145128 /nfs/dbraw/zinc/14/51/28/570145128.db2.gz WETRCNNEBLPCNP-QHCPKHFHSA-N 0 0 465.598 2.823 40 0 JFABRN CN(C(=O)CCCn1c2ccccc2nc1C(F)(F)F)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257323833 570145697 /nfs/dbraw/zinc/14/56/97/570145697.db2.gz WMAHJAGKXLJWKD-QWFCFKBJSA-N 0 0 454.493 2.518 40 0 JFABRN Cc1cc(N(C)C)nc([C@]2(C)CCCN(C(=O)c3ccccc3OCCN3CCOCC3)C2)n1 ZINC000257325727 570146037 /nfs/dbraw/zinc/14/60/37/570146037.db2.gz WUEANIXGAGLZKG-AREMUKBSSA-N 0 0 467.614 2.756 40 0 JFABRN COc1ccc(C2=NO[C@](C)(C(=O)N3CCC[C@@](C(=O)N(C)C)(c4ccccn4)C3)C2)cc1 ZINC000257327673 570146782 /nfs/dbraw/zinc/14/67/82/570146782.db2.gz XCFYOQUFEYCACL-DQEYMECFSA-N 0 0 450.539 2.622 40 0 JFABRN CC(=O)N1[C@@H]2CCC[C@@H]3N(S(=O)(=O)c4cn(C)nc4C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257328217 570146972 /nfs/dbraw/zinc/14/69/72/570146972.db2.gz XERXGTSHGMERKS-KHFRZORUSA-N 0 0 456.612 2.892 40 0 JFABRN CNC(=O)[C@H]1CN(C(=O)c2ccccc2Nc2nc(C)cc(C)n2)CCN1Cc1ccccc1 ZINC000257338280 570149980 /nfs/dbraw/zinc/14/99/80/570149980.db2.gz YWSLGXMNCYKOBS-HSZRJFAPSA-N 0 0 458.566 2.910 40 0 JFABRN Cc1nccn1CC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 ZINC000257338503 570150050 /nfs/dbraw/zinc/15/00/50/570150050.db2.gz YXSVVBQYXKVVLH-DEOSSOPVSA-N 0 0 474.989 2.782 40 0 JFABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)n[nH]1 ZINC000257339369 570150226 /nfs/dbraw/zinc/15/02/26/570150226.db2.gz ZBJRUVOBYUBROU-QGZVFWFLSA-N 0 0 456.595 2.803 40 0 JFABRN O=C(c1ccccc1OCCN1CCCC1=O)N1CC[C@@]2(CN(Cc3ccccc3)C(=O)O2)C1 ZINC000257340970 570150745 /nfs/dbraw/zinc/15/07/45/570150745.db2.gz ZIHOJZVUTDRWED-SANMLTNESA-N 0 0 463.534 2.925 40 0 JFABRN Cc1cc(NC(=O)CN2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n(C)n3)C2)nn1C ZINC000257341737 570150814 /nfs/dbraw/zinc/15/08/14/570150814.db2.gz ZLTMRPLBHQHFAD-OAQYLSRUSA-N 0 0 472.977 2.749 40 0 JFABRN COc1cccc(S(=O)(=O)N2CCC[C@@](COc3ccccc3)(CC(=O)N3CCOCC3)C2)c1 ZINC000257342391 570150967 /nfs/dbraw/zinc/15/09/67/570150967.db2.gz ZOJLCFGZTXSGME-RUZDIDTESA-N 0 0 488.606 2.794 40 0 JFABRN O=C(CN1CCOCC1)Nc1cccc(C(=O)N2CCC[C@@H]2c2nc(Cc3ccc(F)cc3)n[nH]2)c1 ZINC000257342840 570151120 /nfs/dbraw/zinc/15/11/20/570151120.db2.gz ZQIODOQKFJNOQW-JOCHJYFZSA-N 0 0 492.555 2.783 40 0 JFABRN CC(=O)OC[C@]12CC[C@H](OC(C)=O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](C(C)=O)CC[C@]12O ZINC000257349705 570152984 /nfs/dbraw/zinc/15/29/84/570152984.db2.gz QMLGTZOEQLNEEK-KWCIFOPDSA-N 0 0 450.572 2.939 40 0 JFABRN CCOC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@H]2C(=O)N2[C@H]4[C@H](C)C(=O)C[C@H]2c2ccco2)c1 ZINC000257361231 570153858 /nfs/dbraw/zinc/15/38/58/570153858.db2.gz NSUJNRIEBKWESB-JKOLLFRJSA-N 0 0 490.512 2.896 40 0 JFABRN COc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260713477 570155001 /nfs/dbraw/zinc/15/50/01/570155001.db2.gz DIAMRPHLGWLGSY-LJQANCHMSA-N 0 0 475.611 2.566 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260717132 570155129 /nfs/dbraw/zinc/15/51/29/570155129.db2.gz FKEYJQRAPAAGNT-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN CC1CCN(c2cc(N3CCC[C@H](C)C3)nc(NC(=S)NCCN3CCOCC3)n2)CC1 ZINC000260735336 570155729 /nfs/dbraw/zinc/15/57/29/570155729.db2.gz GRIKCCQSBVRGMN-IBGZPJMESA-N 0 0 461.680 2.568 40 0 JFABRN C[C@@H]1CCCN(c2cc(N3CCC[C@H](C)C3)nc(NC(=S)NCCN3CCOCC3)n2)C1 ZINC000260739819 570155778 /nfs/dbraw/zinc/15/57/78/570155778.db2.gz PRKRXYBQMFDXIK-KDURUIRLSA-N 0 0 461.680 2.568 40 0 JFABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260737239 570155786 /nfs/dbraw/zinc/15/57/86/570155786.db2.gz LODXLZHYUXEKJF-GOSISDBHSA-N 0 0 473.595 2.597 40 0 JFABRN COc1cccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260737249 570155804 /nfs/dbraw/zinc/15/58/04/570155804.db2.gz LPVUFZDHJYRJOT-LJQANCHMSA-N 0 0 475.611 2.712 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 ZINC000260737266 570155859 /nfs/dbraw/zinc/15/58/59/570155859.db2.gz LXICQRSOSBBEPE-QGZVFWFLSA-N 0 0 479.574 2.542 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(CC(N)=O)cc3)C2)cc1Cl ZINC000260743336 570155998 /nfs/dbraw/zinc/15/59/98/570155998.db2.gz OXGGFBSNSSWOJR-INIZCTEOSA-N 0 0 479.986 2.806 40 0 JFABRN COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260747714 570156371 /nfs/dbraw/zinc/15/63/71/570156371.db2.gz OQRUVQUIDQLYAX-QGZVFWFLSA-N 0 0 479.574 2.542 40 0 JFABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260754481 570156670 /nfs/dbraw/zinc/15/66/70/570156670.db2.gz QPUZOAZZAZRRBU-GOSISDBHSA-N 0 0 493.601 2.932 40 0 JFABRN COc1cccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000260759832 570156824 /nfs/dbraw/zinc/15/68/24/570156824.db2.gz FUDMGBGTKLYSCI-GOSISDBHSA-N 0 0 475.611 2.793 40 0 JFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)COc1ccccc1OC ZINC000260760859 570156936 /nfs/dbraw/zinc/15/69/36/570156936.db2.gz BPCKRRKKPOSARO-VQIMIIECSA-N 0 0 450.557 2.832 40 0 JFABRN CC[C@@H](NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000260770363 570157554 /nfs/dbraw/zinc/15/75/54/570157554.db2.gz RXUWTKJWWIHFLB-ORAYPTAESA-N 0 0 474.551 2.790 40 0 JFABRN COc1cccc(N(CCCC(=O)N[C@H](C)COc2ccccc2OC)S(C)(=O)=O)c1 ZINC000260769574 570157568 /nfs/dbraw/zinc/15/75/68/570157568.db2.gz PMHABUDFWXNBDC-QGZVFWFLSA-N 0 0 450.557 2.834 40 0 JFABRN Cc1ccccc1CN(C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C ZINC000260776901 570157854 /nfs/dbraw/zinc/15/78/54/570157854.db2.gz YCRXVPSTJOQWBW-GOSISDBHSA-N 0 0 463.575 2.842 40 0 JFABRN COc1ccc(OC)c(N([C@H](C)C(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 ZINC000260813099 570159026 /nfs/dbraw/zinc/15/90/26/570159026.db2.gz PRPIBXLDSPSQAI-LLVKDONJSA-N 0 0 460.603 2.849 40 0 JFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000260821460 570159219 /nfs/dbraw/zinc/15/92/19/570159219.db2.gz XZPCHGLCNIYCFS-HXUWFJFHSA-N 0 0 473.639 2.990 40 0 JFABRN CS(=O)(=O)N(CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21)C1CCCCC1 ZINC000260833378 570159685 /nfs/dbraw/zinc/15/96/85/570159685.db2.gz VTCFDMSFGDTGAF-XMMPIXPASA-N 0 0 499.633 2.734 40 0 JFABRN CCc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](CC)C(=O)NC)S(C)(=O)=O ZINC000260853878 570160885 /nfs/dbraw/zinc/16/08/85/570160885.db2.gz BHWYKKQZBPJFHY-OAQYLSRUSA-N 0 0 459.612 2.877 40 0 JFABRN CCc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260853868 570160935 /nfs/dbraw/zinc/16/09/35/570160935.db2.gz BEDSZCGGWOYTPE-JOCHJYFZSA-N 0 0 459.612 2.877 40 0 JFABRN Cc1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000260868509 570161246 /nfs/dbraw/zinc/16/12/46/570161246.db2.gz DLEJEMBWMUFRLU-HXUWFJFHSA-N 0 0 459.612 2.951 40 0 JFABRN Cc1cccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000260877892 570161341 /nfs/dbraw/zinc/16/13/41/570161341.db2.gz HGCWMKJPWWEDSX-OAQYLSRUSA-N 0 0 473.639 2.993 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000260880346 570161489 /nfs/dbraw/zinc/16/14/89/570161489.db2.gz IGNGMRRLDSAMIY-OALUTQOASA-N 0 0 492.617 2.771 40 0 JFABRN CCc1ccc(N([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000260886035 570161615 /nfs/dbraw/zinc/16/16/15/570161615.db2.gz CPCUNZLMHJLHQT-LJQANCHMSA-N 0 0 459.612 2.552 40 0 JFABRN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC[C@H]3COc4ccccc4O3)Oc3ccccc32)cc1 ZINC000260888500 570161687 /nfs/dbraw/zinc/16/16/87/570161687.db2.gz BAMMIWQOORMMBZ-MHECFPHRSA-N 0 0 480.542 2.908 40 0 JFABRN COc1cccc(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(=O)(=O)c2ccccc2)c1 ZINC000260892899 570162163 /nfs/dbraw/zinc/16/21/63/570162163.db2.gz FHFJMGXDLKCMNM-FQEVSTJZSA-N 0 0 468.531 2.847 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000260899489 570162592 /nfs/dbraw/zinc/16/25/92/570162592.db2.gz ODQRTYUSEOMNRD-MOPGFXCFSA-N 0 0 492.617 2.771 40 0 JFABRN COc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260902451 570162771 /nfs/dbraw/zinc/16/27/71/570162771.db2.gz OWTAPUKFVKVJOC-HXUWFJFHSA-N 0 0 489.638 2.814 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000260902211 570162821 /nfs/dbraw/zinc/16/28/21/570162821.db2.gz OODZGRRMAZBWIV-MSOLQXFVSA-N 0 0 463.575 2.924 40 0 JFABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)cc1OC ZINC000409193974 570162835 /nfs/dbraw/zinc/16/28/35/570162835.db2.gz JITSTOGSADCYFI-UHFFFAOYSA-N 0 0 462.568 2.616 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000260911783 570163479 /nfs/dbraw/zinc/16/34/79/570163479.db2.gz QNXPALOVEBBFOO-ROUUACIJSA-N 0 0 463.575 2.924 40 0 JFABRN C[C@@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000260917445 570163952 /nfs/dbraw/zinc/16/39/52/570163952.db2.gz DIBHRAZDPOQAFZ-KGLIPLIRSA-N 0 0 458.989 2.775 40 0 JFABRN Cc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260921294 570164300 /nfs/dbraw/zinc/16/43/00/570164300.db2.gz TXZYMZTYOQNVDQ-OAQYLSRUSA-N 0 0 488.654 2.797 40 0 JFABRN COc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260926757 570164792 /nfs/dbraw/zinc/16/47/92/570164792.db2.gz VEXQVIICAAUHJF-HXUWFJFHSA-N 0 0 489.638 2.959 40 0 JFABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000260927903 570164905 /nfs/dbraw/zinc/16/49/05/570164905.db2.gz HFZASQPTFXRFCV-ROUUACIJSA-N 0 0 493.601 2.932 40 0 JFABRN COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1Cl ZINC000260930930 570165037 /nfs/dbraw/zinc/16/50/37/570165037.db2.gz LGNFGSPDNBLFCX-ZIAGYGMSSA-N 0 0 489.015 2.784 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000260931638 570165142 /nfs/dbraw/zinc/16/51/42/570165142.db2.gz HSTNWIJAPUHQTP-MSOLQXFVSA-N 0 0 493.601 2.932 40 0 JFABRN Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409200797 570165160 /nfs/dbraw/zinc/16/51/60/570165160.db2.gz JOEQOAPOKKQLBN-UHFFFAOYSA-N 0 0 460.785 2.794 40 0 JFABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000260937227 570165391 /nfs/dbraw/zinc/16/53/91/570165391.db2.gz PRKGYOJJYBCMMG-KGLIPLIRSA-N 0 0 489.015 2.784 40 0 JFABRN COc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000260938959 570165427 /nfs/dbraw/zinc/16/54/27/570165427.db2.gz PXNZYLRZWSWTBD-MRXNPFEDSA-N 0 0 468.597 2.522 40 0 JFABRN COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1I ZINC000409201536 570165508 /nfs/dbraw/zinc/16/55/08/570165508.db2.gz MBMHKVBLMKDVOM-OQLLNIDSSA-N 0 0 495.248 2.970 40 0 JFABRN COc1cc(Br)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1O ZINC000409202541 570165990 /nfs/dbraw/zinc/16/59/90/570165990.db2.gz RDHKZHGHYYLVPP-VGOFMYFVSA-N 0 0 464.247 2.834 40 0 JFABRN C[C@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000260949525 570166035 /nfs/dbraw/zinc/16/60/35/570166035.db2.gz XMGWZHSXSNRMKL-KBPBESRZSA-N 0 0 458.989 2.775 40 0 JFABRN Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 ZINC000260949489 570166051 /nfs/dbraw/zinc/16/60/51/570166051.db2.gz XHNTZRQUPMGMNB-SJORKVTESA-N 0 0 452.598 2.739 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000260955305 570166275 /nfs/dbraw/zinc/16/62/75/570166275.db2.gz KJVISEWJHAMUOJ-RTWAWAEBSA-N 0 0 488.654 2.940 40 0 JFABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000261021082 570166875 /nfs/dbraw/zinc/16/68/75/570166875.db2.gz VZTXSWSUCOUMLF-MSOLQXFVSA-N 0 0 493.601 2.932 40 0 JFABRN O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409207077 570167464 /nfs/dbraw/zinc/16/74/64/570167464.db2.gz OIMAMYQOYYVQFD-DEDYPNTBSA-N 0 0 451.504 2.800 40 0 JFABRN O=C(CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409209028 570168474 /nfs/dbraw/zinc/16/84/74/570168474.db2.gz FFLIYJDDMADDMN-VXPUYCOJSA-N 0 0 464.503 2.521 40 0 JFABRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(I)cc2)C1=O ZINC000409221208 570174452 /nfs/dbraw/zinc/17/44/52/570174452.db2.gz MPNKJIKCSISGCE-XNTDXEJSSA-N 0 0 477.258 2.831 40 0 JFABRN O=C(c1nc([C@@H]2CCCN2c2ncccn2)n2ccccc12)N1CCN(c2ccccn2)CC1 ZINC000306140896 570178545 /nfs/dbraw/zinc/17/85/45/570178545.db2.gz VGIIYVKKTVVBEU-FQEVSTJZSA-N 0 0 454.538 2.823 40 0 JFABRN O=C(c1nc([C@H]2CCCN2c2ncccn2)n2ccccc12)N1CCN(c2ccccn2)CC1 ZINC000306140897 570178763 /nfs/dbraw/zinc/17/87/63/570178763.db2.gz VGIIYVKKTVVBEU-HXUWFJFHSA-N 0 0 454.538 2.823 40 0 JFABRN OCCNc1nc(Nc2ccc(I)cc2Cl)cc(-c2ccccn2)n1 ZINC000328971183 570179940 /nfs/dbraw/zinc/17/99/40/570179940.db2.gz DNTPLQRQMRHWSA-UHFFFAOYSA-N 0 0 467.698 2.788 40 0 JFABRN OCCNc1nc(Nc2ccc(I)cc2F)cc(-c2ccccc2)n1 ZINC000328999274 570181035 /nfs/dbraw/zinc/18/10/35/570181035.db2.gz JVNVUDDDOAAJNW-UHFFFAOYSA-N 0 0 450.255 2.879 40 0 JFABRN NC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000409243158 570182810 /nfs/dbraw/zinc/18/28/10/570182810.db2.gz ZGUFKCPZBQKLDS-UHFFFAOYSA-N 0 0 451.548 2.878 40 0 JFABRN COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cccc1OC ZINC000408532329 570188514 /nfs/dbraw/zinc/18/85/14/570188514.db2.gz OAYKBSGKGVRIJB-GZTJUZNOSA-N 0 0 462.524 2.542 40 0 JFABRN NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2Cl)cc1 ZINC000409272020 570189445 /nfs/dbraw/zinc/18/94/45/570189445.db2.gz XSZMEXQAJNKYAY-UHFFFAOYSA-N 0 0 473.938 2.935 40 0 JFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2n[nH]c(-c3ccc(OC)cc3)n2)c1 ZINC000408544243 570192443 /nfs/dbraw/zinc/19/24/43/570192443.db2.gz ULSZKFWXZHHHSN-UHFFFAOYSA-N 0 0 456.480 2.784 40 0 JFABRN COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C1=O ZINC000408548625 570194230 /nfs/dbraw/zinc/19/42/30/570194230.db2.gz JYKYLOFGPNVZNF-RQZCQDPDSA-N 0 0 487.896 2.740 40 0 JFABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(I)c1OC(C)C ZINC000408548393 570194266 /nfs/dbraw/zinc/19/42/66/570194266.db2.gz HPJIVMLOIRNYQJ-NTUHNPAUSA-N 0 0 488.278 2.543 40 0 JFABRN Cc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C(=O)NC1CCCCC1 ZINC000408551295 570195115 /nfs/dbraw/zinc/19/51/15/570195115.db2.gz JZFLCTXJNUSJEK-UHFFFAOYSA-N 0 0 451.570 2.506 40 0 JFABRN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 ZINC000408553759 570195992 /nfs/dbraw/zinc/19/59/92/570195992.db2.gz QKKLCLRDWJXSNI-OAHLLOKOSA-N 0 0 462.524 2.530 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000408555943 570197070 /nfs/dbraw/zinc/19/70/70/570197070.db2.gz BJJRLDPTJPARJW-IBGZPJMESA-N 0 0 475.586 2.974 40 0 JFABRN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3C)c2)CC1 ZINC000408556180 570197311 /nfs/dbraw/zinc/19/73/11/570197311.db2.gz CMILKIMKWXSWSY-UHFFFAOYSA-N 0 0 461.540 2.719 40 0 JFABRN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c(OC)c1 ZINC000408556846 570197853 /nfs/dbraw/zinc/19/78/53/570197853.db2.gz DVFYZTRRPYYWIC-HNNXBMFYSA-N 0 0 464.540 2.760 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)c(Cl)c1 ZINC000408557846 570198660 /nfs/dbraw/zinc/19/86/60/570198660.db2.gz OGGCLTXNMNAHAN-UHFFFAOYSA-N 0 0 469.966 2.895 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(OC)c(OC)c2)c(Cl)c1 ZINC000408558485 570199107 /nfs/dbraw/zinc/19/91/07/570199107.db2.gz RMKXMAZBCHNEPI-UHFFFAOYSA-N 0 0 470.975 2.783 40 0 JFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000409312776 570199489 /nfs/dbraw/zinc/19/94/89/570199489.db2.gz MLKHROOFDFWGHN-UHFFFAOYSA-N 0 0 467.613 2.739 40 0 JFABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000408560328 570200327 /nfs/dbraw/zinc/20/03/27/570200327.db2.gz YTHDQWPMTSWURK-UHFFFAOYSA-N 0 0 450.557 2.520 40 0 JFABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)NC[C@@H]1CCCO1 ZINC000408561662 570201219 /nfs/dbraw/zinc/20/12/19/570201219.db2.gz UTGJMQNOFJSALR-KRWDZBQOSA-N 0 0 469.357 2.924 40 0 JFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1C ZINC000408561819 570201296 /nfs/dbraw/zinc/20/12/96/570201296.db2.gz VPTWKKDWQCOLON-GOSISDBHSA-N 0 0 460.552 2.840 40 0 JFABRN COc1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000408562400 570201714 /nfs/dbraw/zinc/20/17/14/570201714.db2.gz ZNIFYZAJLIAXJI-HNNXBMFYSA-N 0 0 464.540 2.760 40 0 JFABRN O=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)NCCOc1ccccc1Cl ZINC000408566585 570203718 /nfs/dbraw/zinc/20/37/18/570203718.db2.gz HTXJCWUQXGWCIM-UHFFFAOYSA-N 0 0 469.925 2.531 40 0 JFABRN CCc1ccccc1N(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000408574597 570205460 /nfs/dbraw/zinc/20/54/60/570205460.db2.gz IRLAIMMRMBYSHO-UHFFFAOYSA-N 0 0 459.612 2.591 40 0 JFABRN CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCN3CCOCC3)CC2=O)cc1 ZINC000408576897 570206013 /nfs/dbraw/zinc/20/60/13/570206013.db2.gz HDSVWCWQDKFVRW-FQEVSTJZSA-N 0 0 494.592 2.527 40 0 JFABRN CC(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)N4CCOCC4)cc3)C2)cc1 ZINC000408581704 570206762 /nfs/dbraw/zinc/20/67/62/570206762.db2.gz UBBKJPFSNGTCSO-QFIPXVFZSA-N 0 0 479.577 2.717 40 0 JFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(NC(C)=O)c3)C2)c1 ZINC000408584809 570207798 /nfs/dbraw/zinc/20/77/98/570207798.db2.gz VJMHUEOMIDDKLA-MRXNPFEDSA-N 0 0 461.540 2.702 40 0 JFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c(Cl)c1 ZINC000408584984 570207865 /nfs/dbraw/zinc/20/78/65/570207865.db2.gz XJVBLMRNCPJBQO-UHFFFAOYSA-N 0 0 498.941 2.619 40 0 JFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000408588654 570208610 /nfs/dbraw/zinc/20/86/10/570208610.db2.gz DNMKRSALSVBEPK-CQSZACIVSA-N 0 0 480.539 2.585 40 0 JFABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000408591404 570209234 /nfs/dbraw/zinc/20/92/34/570209234.db2.gz MAVWXJRNGVGROO-UHFFFAOYSA-N 0 0 474.583 2.796 40 0 JFABRN O=C(NCCCn1ccnc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000408592437 570209432 /nfs/dbraw/zinc/20/94/32/570209432.db2.gz KLFRFJLSILSXSF-FQEVSTJZSA-N 0 0 491.411 2.742 40 0 JFABRN