smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(O)c([C@H](C)Nc2ccc(OC(F)F)c(F)c2)c1 ZINC000193903665 1032177627 /nfs/dbraw/zinc/17/76/27/1032177627.db2.gz CGMPLOMDNBUUIT-VIFPVBQESA-N 0 0 327.302 4.314 20 10 EICDRN C[C@@H](NCc1cc(Cl)ccc1O)c1nc(-c2cccc(F)c2)no1 ZINC000237461063 1032229856 /nfs/dbraw/zinc/22/98/56/1032229856.db2.gz GANZMLCCBSAZNN-SNVBAGLBSA-N 0 0 347.777 4.086 20 10 EICDRN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000274577519 1018817427 /nfs/dbraw/zinc/81/74/27/1018817427.db2.gz IIRKPNXFGRCLFN-VIFPVBQESA-N 0 0 347.381 4.218 20 10 EICDRN CCc1ccc([C@H](COC)NCc2ccc(N(CC)CC)c(F)c2)o1 ZINC000236932766 1032839359 /nfs/dbraw/zinc/83/93/59/1032839359.db2.gz ROUMDDMZSULSDD-SFHVURJKSA-N 0 0 348.462 4.305 20 10 EICDRN CCN1C(=O)/C(=C/C=C2/N(C)c3ccccc3C2(C)C)SC1=S ZINC000001804234 1019756253 /nfs/dbraw/zinc/75/62/53/1019756253.db2.gz QFTZFCHXTGZQEA-YCRUPXPOSA-N 0 0 344.505 4.062 20 10 EICDRN CC[C@@H](N[C@H](c1nccn1C)c1ccccc1F)c1ccccc1O ZINC000274863612 1019803636 /nfs/dbraw/zinc/80/36/36/1019803636.db2.gz DGIYKMZWZLBRBB-MJGOQNOKSA-N 0 0 339.414 4.095 20 10 EICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1oc2ccccc2c1C ZINC000471222397 1019992127 /nfs/dbraw/zinc/99/21/27/1019992127.db2.gz GBIGABIKSKOSLA-UHFFFAOYSA-N 0 0 332.403 4.471 20 10 EICDRN Cc1ccsc1CCCC(=O)NCc1c(C)c2ccccc2n1C ZINC000471228382 1020028599 /nfs/dbraw/zinc/02/85/99/1020028599.db2.gz UOQUGGKGMYJHSD-UHFFFAOYSA-N 0 0 340.492 4.496 20 10 EICDRN CCOc1ccccc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000728219695 1020031891 /nfs/dbraw/zinc/03/18/91/1020031891.db2.gz PKWFPSGLHOTGCO-UHFFFAOYSA-N 0 0 340.467 4.204 20 10 EICDRN CS[C@H](C(=O)NCc1c(C)c2ccccc2n1C)c1ccccc1 ZINC000471237491 1020100644 /nfs/dbraw/zinc/10/06/44/1020100644.db2.gz WOVMIDJXUVSJRF-IBGZPJMESA-N 0 0 338.476 4.207 20 10 EICDRN COc1cc(C)ccc1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000471246558 1020218537 /nfs/dbraw/zinc/21/85/37/1020218537.db2.gz XJIOVSBWWTUOFL-UHFFFAOYSA-N 0 0 337.423 4.125 20 10 EICDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000237942727 1032891637 /nfs/dbraw/zinc/89/16/37/1032891637.db2.gz IQDIRCPFIUXFQY-JKSUJKDBSA-N 0 0 349.261 4.038 20 10 EICDRN CC(C)(C)OCc1ccccc1C(=O)NCc1cccc(Cl)c1O ZINC000890759593 1020420290 /nfs/dbraw/zinc/42/02/90/1020420290.db2.gz DIEAEIGBWMJYQC-UHFFFAOYSA-N 0 0 347.842 4.291 20 10 EICDRN Cc1cccc(NC(=O)N(C)Cc2ccccc2O)c1Br ZINC000120847635 1020420458 /nfs/dbraw/zinc/42/04/58/1020420458.db2.gz IUOSKYURUUPZIK-UHFFFAOYSA-N 0 0 349.228 4.127 20 10 EICDRN Clc1cc(Nc2ccc3c(c2)OCCN3)c(Br)cn1 ZINC001209704343 1020493563 /nfs/dbraw/zinc/49/35/63/1020493563.db2.gz CAPFVSNBTBVMNX-UHFFFAOYSA-N 0 0 340.608 4.045 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCSC(C)(C)C)cc1 ZINC001266470657 1020740384 /nfs/dbraw/zinc/74/03/84/1020740384.db2.gz WEFYIIDFNBTJFH-UHFFFAOYSA-N 0 0 330.497 4.356 20 10 EICDRN Cc1cscc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000175813093 1021014594 /nfs/dbraw/zinc/01/45/94/1021014594.db2.gz HRBPERBACSELJN-UHFFFAOYSA-N 0 0 328.481 4.319 20 10 EICDRN CN(C)c1cncc(Nc2ccc(CCc3ccc(N)cc3)cc2)c1 ZINC001210473462 1021114730 /nfs/dbraw/zinc/11/47/30/1021114730.db2.gz LYNJIMDNZLINGS-UHFFFAOYSA-N 0 0 332.451 4.259 20 10 EICDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc2[nH]ccc2c1 ZINC000175843896 1021192423 /nfs/dbraw/zinc/19/24/23/1021192423.db2.gz JQLSTLHEUVXRIK-UHFFFAOYSA-N 0 0 335.407 4.074 20 10 EICDRN C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000725846478 1021366295 /nfs/dbraw/zinc/36/62/95/1021366295.db2.gz JHXZSMLDERGFEW-LBPRGKRZSA-N 0 0 345.314 4.299 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000066096271 1021368647 /nfs/dbraw/zinc/36/86/47/1021368647.db2.gz DXAFNEFUODSNQB-ZFWWWQNUSA-N 0 0 343.389 4.500 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)c1ccccc1F ZINC000066096874 1021377811 /nfs/dbraw/zinc/37/78/11/1021377811.db2.gz AOALKAWGHSVGNI-OAHLLOKOSA-N 0 0 329.415 4.464 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000066097156 1021377945 /nfs/dbraw/zinc/37/79/45/1021377945.db2.gz IAFUUIZJHIYUBY-HNNXBMFYSA-N 0 0 329.415 4.149 20 10 EICDRN Oc1ccccc1CNC(=S)Nc1ccc(SC(F)F)cc1 ZINC000748156494 1021778687 /nfs/dbraw/zinc/77/86/87/1021778687.db2.gz GJMKYJNFTGWJIT-UHFFFAOYSA-N 0 0 340.420 4.194 20 10 EICDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1nccn1-c1ccccc1 ZINC000377867659 1022065115 /nfs/dbraw/zinc/06/51/15/1022065115.db2.gz AKZOEQFQKPKLQZ-ZDUSSCGKSA-N 0 0 327.815 4.082 20 10 EICDRN Cc1[nH]c2ccccc2c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000473265293 1033059875 /nfs/dbraw/zinc/05/98/75/1033059875.db2.gz WDHCBFRXBTZFBI-UHFFFAOYSA-N 0 0 331.419 4.206 20 10 EICDRN C[C@H]([NH2+]Cc1ccc(Br)cc1)c1cc(F)cc(F)c1[O-] ZINC000756480633 1022982126 /nfs/dbraw/zinc/98/21/26/1022982126.db2.gz STZFBHIPXXFTOE-VIFPVBQESA-N 0 0 342.183 4.284 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccccc1OC ZINC000066688433 1023012945 /nfs/dbraw/zinc/01/29/45/1023012945.db2.gz VNWGDXNBIWGAEG-HNNXBMFYSA-N 0 0 342.439 4.084 20 10 EICDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000185156891 1023014980 /nfs/dbraw/zinc/01/49/80/1023014980.db2.gz VCDANDCJKCVTRJ-KBPBESRZSA-N 0 0 342.414 4.070 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)NCc1cc2ccccc2o1 ZINC000066700388 1023085804 /nfs/dbraw/zinc/08/58/04/1023085804.db2.gz UGZNMPUSWDLFPP-UHFFFAOYSA-N 0 0 338.407 4.260 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)NCC1(c2ccccc2)CC1 ZINC000066698381 1023087394 /nfs/dbraw/zinc/08/73/94/1023087394.db2.gz YCBYSEHNNJIXCX-UHFFFAOYSA-N 0 0 338.451 4.046 20 10 EICDRN C[C@H](CO)SCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255303535 1023199978 /nfs/dbraw/zinc/19/99/78/1023199978.db2.gz CLIMQTIVZGIUBA-CYBMUJFWSA-N 0 0 329.425 4.155 20 10 EICDRN COc1ccccc1-c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000255305337 1023208612 /nfs/dbraw/zinc/20/86/12/1023208612.db2.gz DWGDELJCLDPEFE-WJDWOHSUSA-N 0 0 341.457 4.193 20 10 EICDRN C[C@@H](CO)CSCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255309533 1023282902 /nfs/dbraw/zinc/28/29/02/1023282902.db2.gz VBUCKRAVIGUCHQ-AWEZNQCLSA-N 0 0 343.452 4.402 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000018150470 1023288674 /nfs/dbraw/zinc/28/86/74/1023288674.db2.gz CLUMANGLXCWBIT-UHFFFAOYSA-N 0 0 337.250 4.332 20 10 EICDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(Cl)s1 ZINC000471668846 1023321563 /nfs/dbraw/zinc/32/15/63/1023321563.db2.gz TYZKRBNOICFKCM-UHFFFAOYSA-N 0 0 347.871 4.201 20 10 EICDRN CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834893842 1023338810 /nfs/dbraw/zinc/33/88/10/1023338810.db2.gz HHBNHHQXBPQVIS-ZJUUUORDSA-N 0 0 328.243 4.327 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](c3cccnc3)C2)cc1 ZINC000843638115 1023349330 /nfs/dbraw/zinc/34/93/30/1023349330.db2.gz XANSPLBQTHZIAU-FQEVSTJZSA-N 0 0 345.446 4.119 20 10 EICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1csc(Br)c1 ZINC000397401715 1023436635 /nfs/dbraw/zinc/43/66/35/1023436635.db2.gz RILXOPRRGNKXJG-UHFFFAOYSA-N 0 0 332.650 4.159 20 10 EICDRN CN1C(=O)/C(=C\c2cccnc2Cl)c2cc(Br)ccc21 ZINC000728696551 1023481854 /nfs/dbraw/zinc/48/18/54/1023481854.db2.gz VXXUMMBOIKQXGJ-GHXNOFRVSA-N 0 0 349.615 4.015 20 10 EICDRN O=C1/C(=C\c2cccc3cnccc23)SC(=S)N1c1cccnc1 ZINC000588423418 1023568023 /nfs/dbraw/zinc/56/80/23/1023568023.db2.gz KYPTUBGEOPLDKN-CXUHLZMHSA-N 0 0 349.440 4.036 20 10 EICDRN COc1cc(C)cc(CN(Cc2ccco2)Cc2ccco2)c1O ZINC000893902658 1033149536 /nfs/dbraw/zinc/14/95/36/1033149536.db2.gz KPHNNTOHKJGGNE-UHFFFAOYSA-N 0 0 327.380 4.098 20 10 EICDRN Cc1ccc2c(C(=O)NCc3ccc(N(C)C)c(F)c3)csc2c1 ZINC001125534504 1023705489 /nfs/dbraw/zinc/70/54/89/1023705489.db2.gz JWAVBDIWVNGZJH-UHFFFAOYSA-N 0 0 342.439 4.345 20 10 EICDRN C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1cc(F)ccc1O ZINC000377745242 1023736176 /nfs/dbraw/zinc/73/61/76/1023736176.db2.gz NBHSRGHGTIOSLL-VBKZILBWSA-N 0 0 341.426 4.276 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000368687163 1023746643 /nfs/dbraw/zinc/74/66/43/1023746643.db2.gz IXGIYKQVYSVQRY-SKDRFNHKSA-N 0 0 340.254 4.020 20 10 EICDRN Cc1ccc(O)c(CNc2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000195123380 1023806247 /nfs/dbraw/zinc/80/62/47/1023806247.db2.gz NILSNVUBWVIFQG-UHFFFAOYSA-N 0 0 338.451 4.329 20 10 EICDRN CC(C)Oc1ccc(N(C)Cc2cc(F)cc3c2OCOC3)cc1 ZINC000759913415 1023820526 /nfs/dbraw/zinc/82/05/26/1023820526.db2.gz AFBVIHNEZJNOOU-UHFFFAOYSA-N 0 0 331.387 4.116 20 10 EICDRN Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756635842 1023877499 /nfs/dbraw/zinc/87/74/99/1023877499.db2.gz HTCVHJJVQRMDCD-IAQYHMDHSA-N 0 0 340.250 4.392 20 10 EICDRN CCc1ccc(-c2noc([C@@H](C)NCc3cc(C)ccc3O)n2)cc1 ZINC000276727288 1023902399 /nfs/dbraw/zinc/90/23/99/1023902399.db2.gz GLWQDIMDJUQQGX-CQSZACIVSA-N 0 0 337.423 4.164 20 10 EICDRN CC[C@H]([NH2+][C@H](C)[C@@H](OC)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000796856390 1023997158 /nfs/dbraw/zinc/99/71/58/1023997158.db2.gz MHRIIBIBKSKRBM-JLBUNGTFSA-N 0 0 335.394 4.487 20 10 EICDRN O=C([O-])CCCCCCCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000276943412 1024816036 /nfs/dbraw/zinc/81/60/36/1024816036.db2.gz CVCMAFDYGXXVFM-UHFFFAOYSA-N 0 0 333.472 4.307 20 10 EICDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000134791960 1024826577 /nfs/dbraw/zinc/82/65/77/1024826577.db2.gz RAYSOSUWBXYFCG-NAMSACQYSA-N 0 0 342.266 4.307 20 10 EICDRN CCC[C@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000728837730 1024861741 /nfs/dbraw/zinc/86/17/41/1024861741.db2.gz YHMQKHMXBBPVNT-AWEZNQCLSA-N 0 0 344.421 4.470 20 10 EICDRN C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)C1CC1 ZINC000728838511 1024867293 /nfs/dbraw/zinc/86/72/93/1024867293.db2.gz KEGKGNHJCAUMEM-ZDUSSCGKSA-N 0 0 342.405 4.080 20 10 EICDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cc(Cl)ccc2OC)c1 ZINC000756870329 1025228061 /nfs/dbraw/zinc/22/80/61/1025228061.db2.gz JSELYUDVMDPSEZ-SNVBAGLBSA-N 0 0 335.787 4.014 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)Nc1ccc(F)cc1F ZINC000018165731 1025831212 /nfs/dbraw/zinc/83/12/12/1025831212.db2.gz AXRSNCFLEXNXNK-UHFFFAOYSA-N 0 0 349.450 4.250 20 10 EICDRN CC(C)c1ccc(-c2noc([C@@H](O)c3ccc(N(C)C)cc3)n2)cc1 ZINC001211700955 1026145876 /nfs/dbraw/zinc/14/58/76/1026145876.db2.gz DWQULDNJMSKOCI-SFHVURJKSA-N 0 0 337.423 4.008 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(CC(C)C)cc2)c1 ZINC000261449406 1026215604 /nfs/dbraw/zinc/21/56/04/1026215604.db2.gz VNQJSHCMAJQCTN-CQSZACIVSA-N 0 0 327.424 4.090 20 10 EICDRN COC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1ccc(Cl)cc1 ZINC000279407876 1026414026 /nfs/dbraw/zinc/41/40/26/1026414026.db2.gz DNIRSJHDHQXLJC-BMIGLBTASA-N 0 0 341.785 4.362 20 10 EICDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1ccc(F)cc1F ZINC000048795948 1026421942 /nfs/dbraw/zinc/42/19/42/1026421942.db2.gz MDANUXLZSBHNJQ-SECBINFHSA-N 0 0 342.183 4.284 20 10 EICDRN COc1cc(C)cc(CNc2cnn(CC(C)C)c2C2CC2)c1O ZINC000894784452 1026440019 /nfs/dbraw/zinc/44/00/19/1026440019.db2.gz KZZGPCHABGDXHM-UHFFFAOYSA-N 0 0 329.444 4.051 20 10 EICDRN CO[C@H]1CCC[C@H](CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000279805718 1026702555 /nfs/dbraw/zinc/70/25/55/1026702555.db2.gz DWDNAYDMZLBIKV-ICSRJNTNSA-N 0 0 346.515 4.085 20 10 EICDRN CCN(Cc1occc1C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000413502291 1026814231 /nfs/dbraw/zinc/81/42/31/1026814231.db2.gz MZDFFDCFECEEOD-UHFFFAOYSA-N 0 0 339.439 4.120 20 10 EICDRN CC(=O)Nc1cccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 ZINC000015421477 1026838153 /nfs/dbraw/zinc/83/81/53/1026838153.db2.gz MECWUKIGZROSNS-UHFFFAOYSA-N 0 0 347.418 4.305 20 10 EICDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2cccc3ccccc32)cc1 ZINC000153004990 1026938687 /nfs/dbraw/zinc/93/86/87/1026938687.db2.gz PVFNOCGIXMVSKT-OAQYLSRUSA-N 0 0 330.431 4.328 20 10 EICDRN O=[N+]([O-])c1ccc(Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cc1 ZINC000301990011 1027177760 /nfs/dbraw/zinc/17/77/60/1027177760.db2.gz MKIFLSYVBXYQAN-HNNXBMFYSA-N 0 0 331.347 4.068 20 10 EICDRN Oc1ccccc1CN(Cc1ccco1)c1ccc(C(F)(F)F)nn1 ZINC000302008996 1027183515 /nfs/dbraw/zinc/18/35/15/1027183515.db2.gz XNDXHLHVUDQDJC-UHFFFAOYSA-N 0 0 349.312 4.001 20 10 EICDRN CCc1ccccc1NC(=S)NCCCN(C)c1ccccc1 ZINC000018925867 1027338739 /nfs/dbraw/zinc/33/87/39/1027338739.db2.gz UGUOIFWUQTZDMJ-UHFFFAOYSA-N 0 0 327.497 4.062 20 10 EICDRN CSC[C@@H](C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000303352575 1027546812 /nfs/dbraw/zinc/54/68/12/1027546812.db2.gz NXKHZNBBZNTNKG-OAHLLOKOSA-N 0 0 334.529 4.071 20 10 EICDRN CN(C(=O)C1CC1)c1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC000896573299 1027610383 /nfs/dbraw/zinc/61/03/83/1027610383.db2.gz WDXWLRZRLPJVGU-UHFFFAOYSA-N 0 0 348.805 4.170 20 10 EICDRN Cc1cc(O)c(CN[C@@H]2CCCc3cn(C(C)C)nc32)c(Cl)c1 ZINC000840939363 1027794844 /nfs/dbraw/zinc/79/48/44/1027794844.db2.gz LSXQGNMTQKZXSL-MRXNPFEDSA-N 0 0 333.863 4.299 20 10 EICDRN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(N2CCCC2)cc1 ZINC000320018110 1027820150 /nfs/dbraw/zinc/82/01/50/1027820150.db2.gz FUCRTYHADFTTSY-UHFFFAOYSA-N 0 0 331.803 4.461 20 10 EICDRN C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708169253 1027826278 /nfs/dbraw/zinc/82/62/78/1027826278.db2.gz DSELZMBVIRBTIH-NXEZZACHSA-N 0 0 332.669 4.334 20 10 EICDRN CCN1C(=O)/C(=C\c2ccc3cc(OC)ccc3c2)SC1=S ZINC000023200481 1028014623 /nfs/dbraw/zinc/01/46/23/1028014623.db2.gz QEVDDQFLUJETCG-OQLLNIDSSA-N 0 0 329.446 4.070 20 10 EICDRN O=C(NC[C@@H]1CC[C@@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588568765 1028270140 /nfs/dbraw/zinc/27/01/40/1028270140.db2.gz IMPGLERGZZVQLS-RDTXWAMCSA-N 0 0 338.411 4.385 20 10 EICDRN C[C@H]([NH2+]C1CCC1)c1cc(Br)cc(Br)c1[O-] ZINC000309475064 1028309092 /nfs/dbraw/zinc/30/90/92/1028309092.db2.gz RTKAXXGVZBZUMN-ZETCQYMHSA-N 0 0 349.066 4.120 20 10 EICDRN COCCn1c(C)c(C)c2cc(C(=O)N(CC(C)C)C3CC3)ccc21 ZINC000343187410 1028550382 /nfs/dbraw/zinc/55/03/82/1028550382.db2.gz HCJTUYPCNWZXMC-UHFFFAOYSA-N 0 0 342.483 4.165 20 10 EICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](C)[C@@H](C)C3)ccc21 ZINC000346779749 1028658375 /nfs/dbraw/zinc/65/83/75/1028658375.db2.gz IDMLQKSBQHJCRC-CABCVRRESA-N 0 0 342.483 4.023 20 10 EICDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](c2ccccc2)C1 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O=C1N=C(N2CCCCC2)S/C1=C\c1cc(Cl)cc(Cl)c1 ZINC000917517434 1046938816 /nfs/dbraw/zinc/93/88/16/1046938816.db2.gz PEPOOWALRAKHSZ-JYRVWZFOSA-N 0 0 341.263 4.450 20 10 EICDRN CCN(CC)c1ccc(CNC(=S)N[C@H](C)c2ccccc2)cc1 ZINC000917576385 1047006492 /nfs/dbraw/zinc/00/64/92/1047006492.db2.gz XXRWHBTWFRYRTB-MRXNPFEDSA-N 0 0 341.524 4.258 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)Nc1ccccc1F ZINC000917593227 1047014270 /nfs/dbraw/zinc/01/42/70/1047014270.db2.gz JWGYMDFJOMFWAO-UHFFFAOYSA-N 0 0 345.487 4.499 20 10 EICDRN CCC1(CC)Oc2ccc(NCc3cc(OC)ccc3O)cc2O1 ZINC000787432351 1047015675 /nfs/dbraw/zinc/01/56/75/1047015675.db2.gz GFAUUDGIWGPCKZ-UHFFFAOYSA-N 0 0 329.396 4.300 20 10 EICDRN CN1CCCc2cc(CNC(=S)Nc3ccc(Cl)cc3)ccc21 ZINC000746689219 1047023900 /nfs/dbraw/zinc/02/39/00/1047023900.db2.gz VYIKSAUTGXIAMK-UHFFFAOYSA-N 0 0 345.899 4.209 20 10 EICDRN CN(C)c1ccc(CNC(=O)C(C)(C)c2ccc(Cl)cc2)cc1 ZINC000917621793 1047032023 /nfs/dbraw/zinc/03/20/23/1047032023.db2.gz WJZUKUCHCMJYPS-UHFFFAOYSA-N 0 0 330.859 4.000 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc3ccccc3n2C)cc1 ZINC000917629263 1047034718 /nfs/dbraw/zinc/03/47/18/1047034718.db2.gz ZNYCFNFANHALLW-UHFFFAOYSA-N 0 0 349.478 4.297 20 10 EICDRN Cc1cc(CC(=O)N(C)CC2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000917706820 1047077816 /nfs/dbraw/zinc/07/78/16/1047077816.db2.gz UIAWGROGDFYOGC-UHFFFAOYSA-N 0 0 330.859 4.158 20 10 EICDRN COc1ccc(N(Cc2ccco2)Cc2oc(C)nc2C)cc1F ZINC000788018315 1047081576 /nfs/dbraw/zinc/08/15/76/1047081576.db2.gz AVYBPRTUHDRJOY-UHFFFAOYSA-N 0 0 330.359 4.239 20 10 EICDRN CC[C@@H](CO)SC1=NC(=O)/C(=C/c2csc3ccccc23)S1 ZINC000917764942 1047111446 /nfs/dbraw/zinc/11/14/46/1047111446.db2.gz FNWRKSLCFQAKTG-ODYDIQAQSA-N 0 0 349.502 4.376 20 10 EICDRN CC[C@H]([NH2+]CCCn1ccnc1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132366 1047127317 /nfs/dbraw/zinc/12/73/17/1047127317.db2.gz VOAWEJVQGPMBKV-HNNXBMFYSA-N 0 0 342.270 4.335 20 10 EICDRN CC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139452 1047133003 /nfs/dbraw/zinc/13/30/03/1047133003.db2.gz ASUKPLXDARAOGE-GMXABZIVSA-N 0 0 331.287 4.222 20 10 EICDRN CC[C@@H]([NH2+]CCc1ccc(OC)c(F)c1)c1cccc(Cl)c1[O-] ZINC000806137162 1047135435 /nfs/dbraw/zinc/13/54/35/1047135435.db2.gz KTHHDVIYLBFZEQ-MRXNPFEDSA-N 0 0 337.822 4.477 20 10 EICDRN CC[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc(Cl)c1[O-] ZINC000806140062 1047136586 /nfs/dbraw/zinc/13/65/86/1047136586.db2.gz GKDLQXRNTTTYDV-CZUORRHYSA-N 0 0 325.861 4.056 20 10 EICDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2CC(C)(C)C)cc1F ZINC000747306208 1047152733 /nfs/dbraw/zinc/15/27/33/1047152733.db2.gz BPXBSMZUPBPVON-OAHLLOKOSA-N 0 0 335.467 4.002 20 10 EICDRN CC[C@@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1cccc(Cl)c1[O-] ZINC000806132084 1047155198 /nfs/dbraw/zinc/15/51/98/1047155198.db2.gz QWBGPYZPVRNLLV-QGZVFWFLSA-N 0 0 332.831 4.245 20 10 EICDRN C[C@@H]([NH2+]CCC1(F)CCC1)c1cc(Br)cc(F)c1[O-] ZINC000806176068 1047163232 /nfs/dbraw/zinc/16/32/32/1047163232.db2.gz KCZZXTNKNVIBKT-SECBINFHSA-N 0 0 334.204 4.227 20 10 EICDRN CC[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139327 1047163343 /nfs/dbraw/zinc/16/33/43/1047163343.db2.gz NXZYYFMCPYARTA-CZUORRHYSA-N 0 0 343.298 4.224 20 10 EICDRN CC[C@@H]([NH2+][C@@H](COC)Cc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806141265 1047168958 /nfs/dbraw/zinc/16/89/58/1047168958.db2.gz HJMYRTXLUZTPPZ-CRAIPNDOSA-N 0 0 333.859 4.344 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1cccc(Cl)c1[O-] ZINC000806147221 1047172503 /nfs/dbraw/zinc/17/25/03/1047172503.db2.gz HAKNKIHRKGIHHR-MZPVMMEZSA-N 0 0 337.822 4.348 20 10 EICDRN CC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cccc(Cl)c1[O-] ZINC000806147647 1047172537 /nfs/dbraw/zinc/17/25/37/1047172537.db2.gz ZKDCTAYBVVWNHL-CABCVRRESA-N 0 0 341.785 4.098 20 10 EICDRN CC[C@H]([NH2+][C@@H](CO)c1sccc1C)c1cccc(Cl)c1[O-] ZINC000806148688 1047173475 /nfs/dbraw/zinc/17/34/75/1047173475.db2.gz WWDLFCAKOUWMCK-KBPBESRZSA-N 0 0 325.861 4.190 20 10 EICDRN CC[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806160042 1047181623 /nfs/dbraw/zinc/18/16/23/1047181623.db2.gz DWKHMXUPCAMJQU-IEBWSBKVSA-N 0 0 333.859 4.384 20 10 EICDRN CC[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806159632 1047182811 /nfs/dbraw/zinc/18/28/11/1047182811.db2.gz ANYMTLQIVNMAJS-CQSZACIVSA-N 0 0 331.287 4.224 20 10 EICDRN CC[C@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806162361 1047186189 /nfs/dbraw/zinc/18/61/89/1047186189.db2.gz VLFASTDLZGEKPJ-NWDGAFQWSA-N 0 0 325.758 4.054 20 10 EICDRN CC[C@H]([NH2+]CCCOC(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806165501 1047188566 /nfs/dbraw/zinc/18/85/66/1047188566.db2.gz KXSCXZJNZMTWSV-NSHDSACASA-N 0 0 328.186 4.369 20 10 EICDRN CCCCCC(C)(C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001130544161 1047190251 /nfs/dbraw/zinc/19/02/51/1047190251.db2.gz JTJYPTOBQONGDG-UHFFFAOYSA-N 0 0 334.504 4.196 20 10 EICDRN C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000806177213 1047200808 /nfs/dbraw/zinc/20/08/08/1047200808.db2.gz WARUTIQVAIWIBI-BDJLRTHQSA-N 0 0 340.250 4.473 20 10 EICDRN C[C@@H](N[C@@H]1CCCC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000806180986 1047203750 /nfs/dbraw/zinc/20/37/50/1047203750.db2.gz UVKLWIKNPFPWPX-MLGOLLRUSA-N 0 0 344.833 4.015 20 10 EICDRN C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000788503082 1047206798 /nfs/dbraw/zinc/20/67/98/1047206798.db2.gz LVYBYDDMYURUCW-LBPRGKRZSA-N 0 0 338.373 4.328 20 10 EICDRN Fc1cc(NCc2ccc(N3CCOCC3)c(F)c2)ccc1Cl ZINC000788521642 1047214701 /nfs/dbraw/zinc/21/47/01/1047214701.db2.gz AKVRIZDYHQOQHM-UHFFFAOYSA-N 0 0 338.785 4.067 20 10 EICDRN CC[C@H](C)[C@H](C)N(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000746754404 1047247392 /nfs/dbraw/zinc/24/73/92/1047247392.db2.gz KDUOBQZBXXDFMU-KBPBESRZSA-N 0 0 335.467 4.000 20 10 EICDRN C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1[O-] ZINC000788646243 1047248354 /nfs/dbraw/zinc/24/83/54/1047248354.db2.gz BNUSJETVQSPRAT-SNVBAGLBSA-N 0 0 340.301 4.170 20 10 EICDRN C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000788615164 1047249843 /nfs/dbraw/zinc/24/98/43/1047249843.db2.gz WBIVWGWWPFGKKD-HOTGVXAUSA-N 0 0 328.431 4.099 20 10 EICDRN COc1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cc1F ZINC000788652572 1047258092 /nfs/dbraw/zinc/25/80/92/1047258092.db2.gz RNRSDHVXAAKMDP-SNVBAGLBSA-N 0 0 343.320 4.410 20 10 EICDRN Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000788670119 1047266922 /nfs/dbraw/zinc/26/69/22/1047266922.db2.gz RQUCEJCZFOGYES-MLGOLLRUSA-N 0 0 339.357 4.104 20 10 EICDRN Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788668660 1047267757 /nfs/dbraw/zinc/26/77/57/1047267757.db2.gz XMSGUCVQMUIEFJ-GWCFXTLKSA-N 0 0 345.386 4.165 20 10 EICDRN Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000917999964 1047269253 /nfs/dbraw/zinc/26/92/53/1047269253.db2.gz DAGGSMDGHXCHJP-HXUWFJFHSA-N 0 0 337.467 4.108 20 10 EICDRN Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000917999963 1047269308 /nfs/dbraw/zinc/26/93/08/1047269308.db2.gz DAGGSMDGHXCHJP-FQEVSTJZSA-N 0 0 337.467 4.108 20 10 EICDRN CCC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)c1ccccn1 ZINC000806510228 1047274788 /nfs/dbraw/zinc/27/47/88/1047274788.db2.gz MCYQNQRESGRXLD-IBGZPJMESA-N 0 0 339.483 4.128 20 10 EICDRN Nc1ccc(CCNC(=O)N[C@H](CC2CCC2)c2ccccc2)cc1 ZINC000841874073 1047282374 /nfs/dbraw/zinc/28/23/74/1047282374.db2.gz JXFNSIUMLKRVRX-HXUWFJFHSA-N 0 0 337.467 4.042 20 10 EICDRN CCN(CC)C(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000918018732 1047292633 /nfs/dbraw/zinc/29/26/33/1047292633.db2.gz DPVJFUDBWFJUQK-UHFFFAOYSA-N 0 0 349.272 4.339 20 10 EICDRN CCC1(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCCCC1 ZINC000763426799 1047336179 /nfs/dbraw/zinc/33/61/79/1047336179.db2.gz NERMHKZAZKCODD-UHFFFAOYSA-N 0 0 344.499 4.094 20 10 EICDRN Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CCC2 ZINC000806660450 1047336177 /nfs/dbraw/zinc/33/61/77/1047336177.db2.gz DCZYPRYQSHDQDG-ACJLOTCBSA-N 0 0 326.396 4.337 20 10 EICDRN CN(C)c1ccc(CNC(=O)Nc2cccc(F)c2Cl)cc1F ZINC000806769804 1047356007 /nfs/dbraw/zinc/35/60/07/1047356007.db2.gz PAIXGFRHCQNSCE-UHFFFAOYSA-N 0 0 339.773 4.006 20 10 EICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1CCCCC1 ZINC000918147977 1047356147 /nfs/dbraw/zinc/35/61/47/1047356147.db2.gz ODCPRGFLFKLGNX-UHFFFAOYSA-N 0 0 343.515 4.399 20 10 EICDRN C[C@@H](NC(=O)Nc1cccc(F)c1Cl)c1ccc(N(C)C)cc1 ZINC000806772627 1047357990 /nfs/dbraw/zinc/35/79/90/1047357990.db2.gz VCPOQZBBUKVUGK-LLVKDONJSA-N 0 0 335.810 4.428 20 10 EICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC12CCCC2 ZINC000747349267 1047359314 /nfs/dbraw/zinc/35/93/14/1047359314.db2.gz CIPPWVZKLVBHPR-LJQANCHMSA-N 0 0 326.484 4.216 20 10 EICDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1 ZINC001130744919 1047363599 /nfs/dbraw/zinc/36/35/99/1047363599.db2.gz MUDNUSQCIDKABV-IYARVYRRSA-N 0 0 346.515 4.052 20 10 EICDRN CC(C)CN(CC(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000918210159 1047380922 /nfs/dbraw/zinc/38/09/22/1047380922.db2.gz SIHBXUVNHOBBRE-UHFFFAOYSA-N 0 0 331.504 4.110 20 10 EICDRN CN(C)c1ccc(CN[C@H](c2cc(F)ccc2F)C(F)F)cc1 ZINC000789338356 1047405180 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Cc1cc2c(cc1C)N(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000807140241 1047416576 /nfs/dbraw/zinc/41/65/76/1047416576.db2.gz KQNFMMXVLYVEEA-INIZCTEOSA-N 0 0 337.467 4.203 20 10 EICDRN Cc1cccn2c(CN(Cc3ccco3)Cc3ccccc3O)cnc12 ZINC000154727918 1047438319 /nfs/dbraw/zinc/43/83/19/1047438319.db2.gz YVHOHSWDVDSRMS-UHFFFAOYSA-N 0 0 347.418 4.144 20 10 EICDRN Nc1ccc(CCNC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000841956467 1047438764 /nfs/dbraw/zinc/43/87/64/1047438764.db2.gz FIZUYDNWTJHEDQ-SFHVURJKSA-N 0 0 343.858 4.011 20 10 EICDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CC34CCCC4)cc2)CC1 ZINC000747385771 1047440159 /nfs/dbraw/zinc/44/01/59/1047440159.db2.gz BNTFOCLVXHZTEI-LJQANCHMSA-N 0 0 326.484 4.119 20 10 EICDRN Cc1cc(C(=O)Nc2nc(C3CC3)c[nH]2)c(C)n1-c1ccccc1C ZINC000807661408 1047480260 /nfs/dbraw/zinc/48/02/60/1047480260.db2.gz NGLRGINUJKFCIR-UHFFFAOYSA-N 0 0 334.423 4.255 20 10 EICDRN Cc1cc(C(=O)N2CCCC2)ccc1NCc1c(O)cccc1Cl ZINC000789891811 1047486011 /nfs/dbraw/zinc/48/60/11/1047486011.db2.gz WTGAZXIDBKAEJN-UHFFFAOYSA-N 0 0 344.842 4.202 20 10 EICDRN COc1cccc(/C=C2\SC(=S)N(c3ccsc3)C2=O)c1 ZINC000790107010 1047513360 /nfs/dbraw/zinc/51/33/60/1047513360.db2.gz AFTQXHHQBZEBEM-JYRVWZFOSA-N 0 0 333.459 4.163 20 10 EICDRN COCc1ccc(/C=C2/SC(=S)N(c3ccsc3)C2=O)cc1 ZINC000790108901 1047513400 /nfs/dbraw/zinc/51/34/00/1047513400.db2.gz XJIJEZMGYSYVKW-RIYZIHGNSA-N 0 0 347.486 4.300 20 10 EICDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC001142527278 1047528250 /nfs/dbraw/zinc/52/82/50/1047528250.db2.gz RBZAKCDVHIOBLK-UHFFFAOYSA-N 0 0 345.389 4.030 20 10 EICDRN Cc1ccc(N=Nc2cc(C)ccc2NC(=O)c2cn(C)nn2)cc1 ZINC000807922515 1047542607 /nfs/dbraw/zinc/54/26/07/1047542607.db2.gz SXNMUQNIPJJFLO-UHFFFAOYSA-N 0 0 334.383 4.100 20 10 EICDRN CC(C)(C)c1cnc(S[C@@H]2CCc3ccccc3NC2=O)s1 ZINC000790265110 1047551519 /nfs/dbraw/zinc/55/15/19/1047551519.db2.gz REPLPRJAHXRWJH-CYBMUJFWSA-N 0 0 332.494 4.486 20 10 EICDRN Cc1csc(N(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000918635365 1047555415 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C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)c1ccccc1 ZINC000174878126 1047809200 /nfs/dbraw/zinc/80/92/00/1047809200.db2.gz OBZUAKUVVUKHLL-IAGOWNOFSA-N 0 0 339.483 4.086 20 10 EICDRN CSc1cc(C)c(C(=O)NCc2ccc(N3CCCCC3)cc2)o1 ZINC000824262016 1047850141 /nfs/dbraw/zinc/85/01/41/1047850141.db2.gz QCPOZSFJZJMIPV-UHFFFAOYSA-N 0 0 344.480 4.230 20 10 EICDRN CCc1ncsc1NC(=O)c1sccc1-n1c(C)ccc1C ZINC000747481836 1047869144 /nfs/dbraw/zinc/86/91/44/1047869144.db2.gz IKTJJRQWPKXFRQ-UHFFFAOYSA-N 0 0 331.466 4.427 20 10 EICDRN CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CCn3ccnc32)cc1 ZINC000824522360 1047880725 /nfs/dbraw/zinc/88/07/25/1047880725.db2.gz VKCUZYWJRSJXSC-OAQYLSRUSA-N 0 0 346.478 4.144 20 10 EICDRN O=C1/C(=C/c2ccc(F)c3cccnc23)SC(=S)N1C1CCC1 ZINC000814185221 1047881699 /nfs/dbraw/zinc/88/16/99/1047881699.db2.gz BTMLNPXVDADGQX-ZROIWOOFSA-N 0 0 344.436 4.128 20 10 EICDRN O=C(c1cccc(O)c1O)N1CC[C@H](c2ccccc2)c2ccccc21 ZINC001171061769 1047895412 /nfs/dbraw/zinc/89/54/12/1047895412.db2.gz 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C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@](C)(O)c1ccccc1 ZINC000846036612 1048801278 /nfs/dbraw/zinc/80/12/78/1048801278.db2.gz GYUYLOCSPUVTTB-APPDUMDISA-N 0 0 340.250 4.085 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000816483645 1048812642 /nfs/dbraw/zinc/81/26/42/1048812642.db2.gz ZMLFVUKDGWKTIV-UHFFFAOYSA-N 0 0 335.806 4.270 20 10 EICDRN CC(C)CCOC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816493495 1048814886 /nfs/dbraw/zinc/81/48/86/1048814886.db2.gz DMCPCIISMDKBFW-UHFFFAOYSA-N 0 0 329.843 4.212 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000816499695 1048820696 /nfs/dbraw/zinc/82/06/96/1048820696.db2.gz YCCNDAYGASHRRZ-UHFFFAOYSA-N 0 0 341.854 4.498 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000816510970 1048822572 /nfs/dbraw/zinc/82/25/72/1048822572.db2.gz KXRQMPIFGPMAOA-SFHVURJKSA-N 0 0 349.833 4.057 20 10 EICDRN Cc1nc2ccccc2n1CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816529605 1048823947 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EICDRN CC(=O)Nc1c(C)ccc(NCc2cc(Cl)c(F)cc2O)c1C ZINC000816523454 1048830286 /nfs/dbraw/zinc/83/02/86/1048830286.db2.gz QLMPYUVVKMSYGC-UHFFFAOYSA-N 0 0 336.794 4.372 20 10 EICDRN CC(C)(O)COc1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816527369 1048830799 /nfs/dbraw/zinc/83/07/99/1048830799.db2.gz HNNJTQUTPGZKDA-UHFFFAOYSA-N 0 0 337.419 4.307 20 10 EICDRN CCOc1ccc(OC)cc1NCc1cc(Cl)c(F)cc1O ZINC000816526379 1048831032 /nfs/dbraw/zinc/83/10/32/1048831032.db2.gz CNQPHTLLZKQISG-UHFFFAOYSA-N 0 0 325.767 4.204 20 10 EICDRN CCNC(=O)c1ccc(C)c(NCc2ccc3ccccc3c2O)c1 ZINC000816525573 1048831403 /nfs/dbraw/zinc/83/14/03/1048831403.db2.gz ZHUYSDNUUQBVKR-UHFFFAOYSA-N 0 0 334.419 4.216 20 10 EICDRN CC(C)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H](O)c1ccccc1 ZINC000816594388 1048832560 /nfs/dbraw/zinc/83/25/60/1048832560.db2.gz BJYAGMFJEQNKKT-ZWKOTPCHSA-N 0 0 337.822 4.033 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000816560083 1048835733 /nfs/dbraw/zinc/83/57/33/1048835733.db2.gz 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ZINC000850522441 1053281741 /nfs/dbraw/zinc/28/17/41/1053281741.db2.gz DTDNJNKZBRUJER-NXEZZACHSA-N 0 0 343.320 4.067 20 10 EICDRN CC[C@H](N[C@@H](c1nccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764809141 1053322664 /nfs/dbraw/zinc/32/26/64/1053322664.db2.gz ICRWARHISJJFAD-LEWJYISDSA-N 0 0 348.494 4.316 20 10 EICDRN C[C@H]1CCCC[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000101769371 1053324685 /nfs/dbraw/zinc/32/46/85/1053324685.db2.gz BXXIJHVROLOHHG-YJBOKZPZSA-N 0 0 342.439 4.276 20 10 EICDRN Cc1cncnc1NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195263012 1053351686 /nfs/dbraw/zinc/35/16/86/1053351686.db2.gz WKERPFWCMWRSPF-GHVJWSGMSA-N 0 0 333.351 4.158 20 10 EICDRN C[C@@H]1C[C@@H](NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)CCO1 ZINC001195277712 1053355996 /nfs/dbraw/zinc/35/59/96/1053355996.db2.gz GPOBPGXWLZMZNC-HWXWZIECSA-N 0 0 339.395 4.105 20 10 EICDRN O=C(NCc1ccccc1O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278275 1053356342 /nfs/dbraw/zinc/35/63/42/1053356342.db2.gz FKPXJSVGHSGSSA-GHVJWSGMSA-N 0 0 347.374 4.443 20 10 EICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cn2c(cccc2C)n1 ZINC001195321811 1053358231 /nfs/dbraw/zinc/35/82/31/1053358231.db2.gz ASUMDBZTINXPOU-GOSISDBHSA-N 0 0 349.478 4.486 20 10 EICDRN Cc1cc(Cl)cc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000775649558 1053377865 /nfs/dbraw/zinc/37/78/65/1053377865.db2.gz LGDMFELDSCRJIS-QGZVFWFLSA-N 0 0 335.806 4.067 20 10 EICDRN CC[C@H](Nc1cccc(CN2CCCC2=O)c1)c1ccc(C)cc1O ZINC000794815000 1053424296 /nfs/dbraw/zinc/42/42/96/1053424296.db2.gz GXKQYTXZGLGMLX-IBGZPJMESA-N 0 0 338.451 4.386 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3c2cccc3F)cc1 ZINC001127820046 1053428336 /nfs/dbraw/zinc/42/83/36/1053428336.db2.gz SYDNHTVBIZWTIQ-UHFFFAOYSA-N 0 0 334.394 4.436 20 10 EICDRN CC(C)C[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000765043150 1053428378 /nfs/dbraw/zinc/42/83/78/1053428378.db2.gz DXRVWKPCILCZSS-AWEZNQCLSA-N 0 0 344.421 4.326 20 10 EICDRN CC(=O)c1cc(Cl)cc(CN2Cc3cc(F)c(F)cc3C2)c1O ZINC001195559020 1053437333 /nfs/dbraw/zinc/43/73/33/1053437333.db2.gz SCMQFLMTYKACTJ-UHFFFAOYSA-N 0 0 337.753 4.042 20 10 EICDRN CC[C@H](Nc1ccc(C)c(N2CCNC2=O)c1)c1ccc(C)cc1O ZINC000794830106 1053442020 /nfs/dbraw/zinc/44/20/20/1053442020.db2.gz YSWVUVLBNFMSCU-KRWDZBQOSA-N 0 0 339.439 4.102 20 10 EICDRN CCCCC[C@H](CC)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000775666495 1053443777 /nfs/dbraw/zinc/44/37/77/1053443777.db2.gz ZHQLMWPAWBUVFR-SFHVURJKSA-N 0 0 346.515 4.340 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2ccccc2)c[nH]1 ZINC001195649116 1053453897 /nfs/dbraw/zinc/45/38/97/1053453897.db2.gz GCPZKHHSDSSITA-UHFFFAOYSA-N 0 0 347.462 4.410 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000775668498 1053459645 /nfs/dbraw/zinc/45/96/45/1053459645.db2.gz BZKADJYSVURELG-UHFFFAOYSA-N 0 0 327.827 4.108 20 10 EICDRN COc1ccc([C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)cc1 ZINC000775669487 1053479750 /nfs/dbraw/zinc/47/97/50/1053479750.db2.gz KOODMDAMBCRWBQ-CYBMUJFWSA-N 0 0 335.806 4.183 20 10 EICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 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O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000813790633 1049816171 /nfs/dbraw/zinc/81/61/71/1049816171.db2.gz WIBKUGJZRZJCDM-GFCCVEGCSA-N 0 0 338.816 4.183 20 10 EICDRN Nc1ccc(CCNC(=O)CC2CCC(c3ccccc3)CC2)cc1 ZINC000237932128 1049822042 /nfs/dbraw/zinc/82/20/42/1049822042.db2.gz XQDIRLKYXLVYGL-UHFFFAOYSA-N 0 0 336.479 4.292 20 10 EICDRN C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000813872626 1049828846 /nfs/dbraw/zinc/82/88/46/1049828846.db2.gz IGLHAXDOGGYJPQ-VXGBXAGGSA-N 0 0 328.359 4.167 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)CCC3)cc1F ZINC001136729599 1049853259 /nfs/dbraw/zinc/85/32/59/1049853259.db2.gz IPFZCGCAECIELN-UHFFFAOYSA-N 0 0 340.442 4.091 20 10 EICDRN CC(C)[C@@H]1N(C(=O)c2ccc(N=NC(N)=O)cc2)CC12CCCCC2 ZINC000823533774 1049855094 /nfs/dbraw/zinc/85/50/94/1049855094.db2.gz NCYHVDXOIPXHCE-INIZCTEOSA-N 0 0 342.443 4.280 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3c2cccc3O)cc1 ZINC001136796789 1049888347 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O=C(/C=C/c1ccc(O)c(O)c1)N1CCCCC[C@H]1c1ccccc1 ZINC000180949631 1049967526 /nfs/dbraw/zinc/96/75/26/1049967526.db2.gz WKAWDZMZQRLUIK-YLZCUGDYSA-N 0 0 337.419 4.255 20 10 EICDRN CN(C)c1ccc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1 ZINC000181217336 1050050584 /nfs/dbraw/zinc/05/05/84/1050050584.db2.gz LOYZDJJDYVNKHF-INIZCTEOSA-N 0 0 344.327 4.424 20 10 EICDRN C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773615800 1050154973 /nfs/dbraw/zinc/15/49/73/1050154973.db2.gz YLXSNAZNWVZAKB-LSDHHAIUSA-N 0 0 343.446 4.355 20 10 EICDRN C[C@@H](NC(=O)N[C@H]1CCCc2sccc21)c1ccc(N(C)C)cc1 ZINC000773618381 1050155761 /nfs/dbraw/zinc/15/57/61/1050155761.db2.gz PTWJLBDHPCFQEV-DYVFJYSZSA-N 0 0 343.496 4.252 20 10 EICDRN CC[C@@H](C)Oc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000774926511 1050160566 /nfs/dbraw/zinc/16/05/66/1050160566.db2.gz IOQIQMPLCRJQEM-GFCCVEGCSA-N 0 0 346.383 4.098 20 10 EICDRN C[C@H](NC(=O)N1CCC[C@@H]1c1ccsc1)c1ccc(N(C)C)cc1 ZINC000773623725 1050162466 /nfs/dbraw/zinc/16/24/66/1050162466.db2.gz WUDQVILESMEARW-KBXCAEBGSA-N 0 0 343.496 4.422 20 10 EICDRN C[C@@H](CN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000773622100 1050163348 /nfs/dbraw/zinc/16/33/48/1050163348.db2.gz QYHHFPRPUNTYKS-IRXDYDNUSA-N 0 0 339.483 4.259 20 10 EICDRN COc1c(O)c(CNc2ccc(OC(C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000774939378 1050168856 /nfs/dbraw/zinc/16/88/56/1050168856.db2.gz SILFIAMEFXYHMA-UHFFFAOYSA-N 0 0 346.383 4.017 20 10 EICDRN CCN(CC)c1ccc(-c2noc(-c3nnsc3C(C)C)n2)cc1 ZINC001212687275 1050184654 /nfs/dbraw/zinc/18/46/54/1050184654.db2.gz KRWDMLWUYZUTSC-UHFFFAOYSA-N 0 0 343.456 4.225 20 10 EICDRN COCCOc1ccc(NC/C=C/c2ccc(N(C)C)cc2)cc1F ZINC001177471741 1050216517 /nfs/dbraw/zinc/21/65/17/1050216517.db2.gz XVZGIKQGZAMIQN-SNAWJCMRSA-N 0 0 344.430 4.042 20 10 EICDRN COc1ccc(CC[C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001177553925 1050238631 /nfs/dbraw/zinc/23/86/31/1050238631.db2.gz FYBRNBXJRJSTAF-GFCCVEGCSA-N 0 0 337.822 4.304 20 10 EICDRN CCN(CC)C(=O)c1cc(N(C)c2ccc(N)cc2)ccc1Cl ZINC001186760055 1050406653 /nfs/dbraw/zinc/40/66/53/1050406653.db2.gz RVXXUWNPVWVMGF-UHFFFAOYSA-N 0 0 331.847 4.172 20 10 EICDRN CC(C)c1ccc(/C=C\CC(=O)NCc2c(O)cccc2F)cc1 ZINC001178412843 1050466311 /nfs/dbraw/zinc/46/63/11/1050466311.db2.gz HYIHJUPAXSDZDZ-HYXAFXHYSA-N 0 0 327.399 4.374 20 10 EICDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3ccc(F)nc3)n2)cc1 ZINC001212732651 1050471177 /nfs/dbraw/zinc/47/11/77/1050471177.db2.gz FMRVSOVCAQMAIQ-UHFFFAOYSA-N 0 0 334.354 4.345 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC001178469471 1050477562 /nfs/dbraw/zinc/47/75/62/1050477562.db2.gz PEGCXEJWEGJWBT-GFCCVEGCSA-N 0 0 346.160 4.201 20 10 EICDRN CN(C)c1cc(F)c(CNc2cccc3c2OC(C)(C)C3)cc1F ZINC001178648293 1050525218 /nfs/dbraw/zinc/52/52/18/1050525218.db2.gz YPFGUPIWRGLKNK-UHFFFAOYSA-N 0 0 332.394 4.356 20 10 EICDRN CC[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(N(C)C)cc1 ZINC000182202633 1050540492 /nfs/dbraw/zinc/54/04/92/1050540492.db2.gz 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Cc1ccc([C@@H](C)N[C@@H](C)c2noc(Cc3ccccc3)n2)c(O)c1 ZINC000185667106 1052672859 /nfs/dbraw/zinc/67/28/59/1052672859.db2.gz OWINQGIEUDZGQR-CABCVRRESA-N 0 0 337.423 4.086 20 10 EICDRN COc1cc(CNc2cccc(CCCO)c2)c(O)c(C(C)(C)C)c1 ZINC000850243004 1053097177 /nfs/dbraw/zinc/09/71/77/1053097177.db2.gz OBGWBHOPKHUNAE-UHFFFAOYSA-N 0 0 343.467 4.235 20 10 EICDRN COc1ccsc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000764412922 1053097904 /nfs/dbraw/zinc/09/79/04/1053097904.db2.gz GXGZEVWQCHIZFS-UKTHLTGXSA-N 0 0 333.459 4.163 20 10 EICDRN COc1ccc(N(Cc2ccccc2)Cc2ccc(CO)cc2)cc1 ZINC000864001237 1053120978 /nfs/dbraw/zinc/12/09/78/1053120978.db2.gz UIWZQCJRUMGQHM-UHFFFAOYSA-N 0 0 333.431 4.394 20 10 EICDRN C[C@@H](Nc1cccc(-n2nccn2)c1)c1ccc2ccccc2c1O ZINC000864021394 1053154826 /nfs/dbraw/zinc/15/48/26/1053154826.db2.gz BMMMOAOWCLCZOT-CQSZACIVSA-N 0 0 330.391 4.299 20 10 EICDRN C[C@@H](Nc1cccc(-n2nccn2)c1)c1cc2c(cc1O)CCCC2 ZINC000864022348 1053155334 /nfs/dbraw/zinc/15/53/34/1053155334.db2.gz JNHINLWJARPSAS-CQSZACIVSA-N 0 0 334.423 4.025 20 10 EICDRN Cc1cc(Br)c(O)c(CNc2ccc3c(c2)CCOC3)c1 ZINC000850382075 1053157061 /nfs/dbraw/zinc/15/70/61/1053157061.db2.gz MLVOPDGPXSRJEB-UHFFFAOYSA-N 0 0 348.240 4.148 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccc(C(C)=O)c2)cc1 ZINC000764626499 1053238242 /nfs/dbraw/zinc/23/82/42/1053238242.db2.gz CQOQBJVZZFBHKR-UHFFFAOYSA-N 0 0 338.451 4.008 20 10 EICDRN CCN1C(=O)/C(=C\c2ccccc2CC(F)(F)F)SC1=S ZINC000864362609 1053251707 /nfs/dbraw/zinc/25/17/07/1053251707.db2.gz HKAAOUQKSBPPKM-YRNVUSSQSA-N 0 0 331.384 4.013 20 10 EICDRN C[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1ccc(N2CCCCCC2)cc1 ZINC000850499420 1053259395 /nfs/dbraw/zinc/25/93/95/1053259395.db2.gz PFVSEIWAZKGTDK-BXWFABGCSA-N 0 0 339.487 4.015 20 10 EICDRN Cc1ccncc1CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000850505819 1053262994 /nfs/dbraw/zinc/26/29/94/1053262994.db2.gz YWWYQLBQPGQVOJ-NSHDSACASA-N 0 0 325.239 4.296 20 10 EICDRN CC[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000850520998 1053277088 /nfs/dbraw/zinc/27/70/88/1053277088.db2.gz LMSKHEYCENNGMC-WDEREUQCSA-N 0 0 340.197 4.164 20 10 EICDRN CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850524366 1053284565 /nfs/dbraw/zinc/28/45/65/1053284565.db2.gz XFMRJYFYSWDJOB-GXFFZTMASA-N 0 0 330.255 4.451 20 10 EICDRN C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cccc(C(F)(F)F)c1[O-] ZINC000850542201 1053304478 /nfs/dbraw/zinc/30/44/78/1053304478.db2.gz JDJANUHXAWGTPL-HWPZZCPQSA-N 0 0 337.341 4.455 20 10 EICDRN CC[C@@H]([NH2+]CCc1cncc(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850548984 1053306959 /nfs/dbraw/zinc/30/69/59/1053306959.db2.gz CCBYVFBLRPARHM-CQSZACIVSA-N 0 0 340.254 4.081 20 10 EICDRN CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000850554446 1053308353 /nfs/dbraw/zinc/30/83/53/1053308353.db2.gz JPLJQOKXVPAHOG-UYHISHBKSA-N 0 0 335.394 4.079 20 10 EICDRN C[C@H](Nc1cccc(-c2cn(C)nn2)c1)c1cc2c(cc1O)CCCC2 ZINC000850564927 1053320030 /nfs/dbraw/zinc/32/00/30/1053320030.db2.gz YPJUHYZFYYYQMO-AWEZNQCLSA-N 0 0 348.450 4.240 20 10 EICDRN O=C(c1ccccc1)C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775645751 1053320886 /nfs/dbraw/zinc/32/08/86/1053320886.db2.gz PYODJYZASKYKJH-UHFFFAOYSA-N 0 0 347.817 4.280 20 10 EICDRN CC[C@@H]([NH2+][C@H](C)c1nccn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850572732 1053328205 /nfs/dbraw/zinc/32/82/05/1053328205.db2.gz OPGKGKTVJCRVOH-BXKDBHETSA-N 0 0 328.243 4.234 20 10 EICDRN Cc1cc(C)c(CNC(=O)Oc2ccccc2C(F)(F)F)c(O)c1 ZINC001195216074 1053335176 /nfs/dbraw/zinc/33/51/76/1053335176.db2.gz FAIVRDWRNZJLJA-UHFFFAOYSA-N 0 0 339.313 4.316 20 10 EICDRN C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1ccccc1 ZINC000850584751 1053335988 /nfs/dbraw/zinc/33/59/88/1053335988.db2.gz SVMXJCXNPCPUPY-RVPKQNPDSA-N 0 0 340.250 4.472 20 10 EICDRN CCCc1csc(NC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000776481418 1053339512 /nfs/dbraw/zinc/33/95/12/1053339512.db2.gz DUZUNQPKLHMGIR-UHFFFAOYSA-N 0 0 344.484 4.018 20 10 EICDRN Cc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cn1 ZINC000764890999 1053351582 /nfs/dbraw/zinc/35/15/82/1053351582.db2.gz IJMKOYUDQVZZLW-SXGWCWSVSA-N 0 0 340.473 4.413 20 10 EICDRN CC(C)([NH2+]Cc1cccc(Br)c1[O-])c1cccs1 ZINC000735087417 1053352454 /nfs/dbraw/zinc/35/24/54/1053352454.db2.gz ZSDQLGYSFFCXMY-UHFFFAOYSA-N 0 0 326.259 4.241 20 10 EICDRN CN(Cc1ccon1)C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195265404 1053353113 /nfs/dbraw/zinc/35/31/13/1053353113.db2.gz HETDJBWEKVDORN-FMQUCBEESA-N 0 0 336.351 4.068 20 10 EICDRN CCc1ccc(N2C(=O)/C(=C\c3ccc(C)nc3)SC2=S)cc1 ZINC000764891053 1053354274 /nfs/dbraw/zinc/35/42/74/1053354274.db2.gz JHUMUHFWGQEUTR-MHWRWJLKSA-N 0 0 340.473 4.358 20 10 EICDRN Cc1ccc(N2C(=O)/C(=C/c3ccc(C)nc3)SC2=S)c(C)c1 ZINC000764892739 1053361278 /nfs/dbraw/zinc/36/12/78/1053361278.db2.gz YTACVLYXYYUGPG-SXGWCWSVSA-N 0 0 340.473 4.413 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(F)cccc1Cl ZINC000764900762 1053363550 /nfs/dbraw/zinc/36/35/50/1053363550.db2.gz XJKOMRQTFIMPTC-UHFFFAOYSA-N 0 0 334.822 4.207 20 10 EICDRN C[C@H](NC(=O)Nc1c(F)cc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000775651693 1053395862 /nfs/dbraw/zinc/39/58/62/1053395862.db2.gz ZGZFCBYLQNVHGT-JTQLQIEISA-N 0 0 337.345 4.053 20 10 EICDRN CC[C@H](Nc1ccc(N2CCOCC2)cc1C)c1ccc(C)cc1O ZINC000794813653 1053421991 /nfs/dbraw/zinc/42/19/91/1053421991.db2.gz APGKUJZKKBGUBQ-IBGZPJMESA-N 0 0 340.467 4.409 20 10 EICDRN CC[C@@H](Nc1ccc(N2CCOCC2)c(C)c1)c1ccc(C)cc1O ZINC000794819418 1053434443 /nfs/dbraw/zinc/43/44/43/1053434443.db2.gz WBWQDHUTSSOMOE-LJQANCHMSA-N 0 0 340.467 4.409 20 10 EICDRN Cc1cccc(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000794827191 1053439369 /nfs/dbraw/zinc/43/93/69/1053439369.db2.gz IYTMZLIYVKVXNY-LLVKDONJSA-N 0 0 325.239 4.296 20 10 EICDRN Cc1cc(CC(=O)N(C)c2cnccc2C)c(C)n1-c1ccccc1 ZINC001127825418 1053442908 /nfs/dbraw/zinc/44/29/08/1053442908.db2.gz NNNIZOZKGNLYSV-UHFFFAOYSA-N 0 0 333.435 4.003 20 10 EICDRN CCc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1 ZINC000765212133 1053468372 /nfs/dbraw/zinc/46/83/72/1053468372.db2.gz SDZIYIQGIFKGLE-UHFFFAOYSA-N 0 0 349.228 4.039 20 10 EICDRN CC[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000794836661 1053473401 /nfs/dbraw/zinc/47/34/01/1053473401.db2.gz VQMDQRWEUCWHBW-BXUZGUMPSA-N 0 0 332.271 4.291 20 10 EICDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCc3ccc(F)cc32)c1 ZINC000794837817 1053494530 /nfs/dbraw/zinc/49/45/30/1053494530.db2.gz ZTACVEHEGYQQMP-SGTLLEGYSA-N 0 0 343.398 4.046 20 10 EICDRN COc1ccc(N(C)Cc2ccc(OCc3ccccc3)nc2)cc1 ZINC001195819085 1053499361 /nfs/dbraw/zinc/49/93/61/1053499361.db2.gz OTMSDVTZNWTQAS-UHFFFAOYSA-N 0 0 334.419 4.306 20 10 EICDRN CCCCC[C@@H](CC)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775675340 1053506029 /nfs/dbraw/zinc/50/60/29/1053506029.db2.gz BIEJIGUXHDEGHQ-ZWKOTPCHSA-N 0 0 346.515 4.307 20 10 EICDRN CCN(CC[C@@H]1Sc2ccccc2NC1=O)c1ccc(OC)cc1 ZINC000851828025 1053523150 /nfs/dbraw/zinc/52/31/50/1053523150.db2.gz MBHSATRMFRUOJX-SFHVURJKSA-N 0 0 342.464 4.025 20 10 EICDRN COc1ccc(N(Cc2ccco2)Cc2nc(C)oc2C)cc1F ZINC000851849279 1053525160 /nfs/dbraw/zinc/52/51/60/1053525160.db2.gz SFQUJAIDANLHIN-UHFFFAOYSA-N 0 0 330.359 4.239 20 10 EICDRN Cc1ccccc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000002916064 1053550443 /nfs/dbraw/zinc/55/04/43/1053550443.db2.gz WPGHSKRZNSDFLZ-LFIBNONCSA-N 0 0 325.458 4.396 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)c2nc(C(C)C)oc2C)cc1 ZINC000794853206 1053557671 /nfs/dbraw/zinc/55/76/71/1053557671.db2.gz VACXUKUUODPAHG-UHFFFAOYSA-N 0 0 343.471 4.225 20 10 EICDRN FC(F)(F)c1ccc(NC(=S)NCc2cccc(Cl)n2)cc1 ZINC001196199426 1053610194 /nfs/dbraw/zinc/61/01/94/1053610194.db2.gz WZRCOXCAIZTFSX-UHFFFAOYSA-N 0 0 345.777 4.240 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000775697193 1053611653 /nfs/dbraw/zinc/61/16/53/1053611653.db2.gz WPGZUXBHKJHFTH-SFHVURJKSA-N 0 0 349.833 4.057 20 10 EICDRN C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)Cc1ccc(N)cc1 ZINC000852901483 1053619000 /nfs/dbraw/zinc/61/90/00/1053619000.db2.gz IXEIDOKERHTBKO-HXUWFJFHSA-N 0 0 342.870 4.089 20 10 EICDRN O=C(Nc1ccccc1Oc1cccc(F)c1)c1cccc(O)c1O ZINC000776631487 1053620889 /nfs/dbraw/zinc/62/08/89/1053620889.db2.gz KOPHXGQOLBJDHR-UHFFFAOYSA-N 0 0 339.322 4.282 20 10 EICDRN Cc1cc([C@H]2CN(Cc3cccc(Cl)c3[O-])CCO2)ccc1F ZINC000775717177 1053671662 /nfs/dbraw/zinc/67/16/62/1053671662.db2.gz NDPJBYFPFJIYFU-QGZVFWFLSA-N 0 0 335.806 4.067 20 10 EICDRN O=C(c1cccc(O)c1O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000776668329 1053674449 /nfs/dbraw/zinc/67/44/49/1053674449.db2.gz JUPWREJPQCNSTE-CLVCIHKQSA-N 0 0 337.419 4.196 20 10 EICDRN Cc1cccc([C@H]2CCCCN2C(=O)c2cccc(O)c2O)c1C ZINC000776665898 1053674572 /nfs/dbraw/zinc/67/45/72/1053674572.db2.gz DARMPMNSTBDCLV-QGZVFWFLSA-N 0 0 325.408 4.082 20 10 EICDRN C[C@H](Nc1ccc([C@H](O)C(F)(F)F)cc1)c1cc(F)cc(F)c1O ZINC000866417350 1053722640 /nfs/dbraw/zinc/72/26/40/1053722640.db2.gz ODNJAGMSZGOBGX-AYVTZFPOSA-N 0 0 347.283 4.439 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000866472734 1053742450 /nfs/dbraw/zinc/74/24/50/1053742450.db2.gz DRECYQDXXCAXJG-GFCCVEGCSA-N 0 0 329.202 4.474 20 10 EICDRN CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@H]2c2cccnc2)c1O ZINC000854040360 1053742731 /nfs/dbraw/zinc/74/27/31/1053742731.db2.gz QYFCGPLXCIBWKO-GOSISDBHSA-N 0 0 344.842 4.226 20 10 EICDRN C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccc(F)cc1[O-] ZINC000866541570 1053775577 /nfs/dbraw/zinc/77/55/77/1053775577.db2.gz OUABFIJEOBEMHJ-SECBINFHSA-N 0 0 329.293 4.123 20 10 EICDRN Cc1cc(C)c(CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)c(O)c1 ZINC001196974886 1053808163 /nfs/dbraw/zinc/80/81/63/1053808163.db2.gz AWUPNOHXAPIMCB-UHFFFAOYSA-N 0 0 338.382 4.073 20 10 EICDRN CCOc1ccc(N(C[C@@H](O)Cc2ccc(F)cc2)CC2CC2)cc1 ZINC001196952925 1053812620 /nfs/dbraw/zinc/81/26/20/1053812620.db2.gz NECKSFUJRWPEGK-FQEVSTJZSA-N 0 0 343.442 4.044 20 10 EICDRN O=C(/C=C\c1ccc2[nH]ccc2c1)NCc1ccc(N2CCCC2)cc1 ZINC000765623526 1053820046 /nfs/dbraw/zinc/82/00/46/1053820046.db2.gz LBLQZFRAZDCUQY-POHAHGRESA-N 0 0 345.446 4.098 20 10 EICDRN CC(=O)N(Cc1ccc(NCc2cccc(C)c2O)cc1)C(C)C ZINC000775756692 1053833972 /nfs/dbraw/zinc/83/39/72/1053833972.db2.gz PQIHKKGXYHDTQG-UHFFFAOYSA-N 0 0 326.440 4.070 20 10 EICDRN O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CCC[C@@H]1CF ZINC001197179154 1053843526 /nfs/dbraw/zinc/84/35/26/1053843526.db2.gz WGBSTUKVZVDZMN-ZBBYCGENSA-N 0 0 347.415 4.225 20 10 EICDRN COc1ccc(N(C)CC(=O)Nc2ccccc2C(C)C)cc1F ZINC000121773948 1053845993 /nfs/dbraw/zinc/84/59/93/1053845993.db2.gz CAHXQUKTXJPAJM-UHFFFAOYSA-N 0 0 330.403 4.033 20 10 EICDRN O=S(=O)(N[C@@H]1CC12CCC2)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197196728 1053851028 /nfs/dbraw/zinc/85/10/28/1053851028.db2.gz CRYPIWDNUGRMAE-NHKNDPDJSA-N 0 0 341.436 4.323 20 10 EICDRN Cc1ccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000776796077 1053880820 /nfs/dbraw/zinc/88/08/20/1053880820.db2.gz KCYSOMWGXSXQIP-CQSZACIVSA-N 0 0 332.394 4.283 20 10 EICDRN c1csc(SCCCNc2cncc(-c3ccccc3)n2)n1 ZINC000776804015 1053902813 /nfs/dbraw/zinc/90/28/13/1053902813.db2.gz ANTGITGXPCPFTG-UHFFFAOYSA-N 0 0 328.466 4.194 20 10 EICDRN COc1ccc(CNC(=S)Nc2cccc(C(C)C)c2)c(O)c1 ZINC000795031527 1053924782 /nfs/dbraw/zinc/92/47/82/1053924782.db2.gz JVEOYPMCCRYFHC-UHFFFAOYSA-N 0 0 330.453 4.011 20 10 EICDRN CCN(C)c1ccc([C@@H](C)Nc2cccc(OCCOC)c2)cc1 ZINC000776841301 1053991672 /nfs/dbraw/zinc/99/16/72/1053991672.db2.gz SPALUOHKIQNDAK-MRXNPFEDSA-N 0 0 328.456 4.341 20 10 EICDRN Cc1ccc(NC(=S)NCc2ccc(C(F)(F)F)cn2)c(C)c1 ZINC001198006613 1054043298 /nfs/dbraw/zinc/04/32/98/1054043298.db2.gz QCBJKOIJQJBVLS-UHFFFAOYSA-N 0 0 339.386 4.204 20 10 EICDRN CON(C(=O)C1=CC(=O)CS1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000856338957 1054059220 /nfs/dbraw/zinc/05/92/20/1054059220.db2.gz LPYNZSCVFRUEFF-SECBINFHSA-N 0 0 345.342 4.237 20 10 EICDRN CC[C@@H](NC(=O)NCc1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000114585213 1054103036 /nfs/dbraw/zinc/10/30/36/1054103036.db2.gz WBBCXMFDDSIYSO-MRXNPFEDSA-N 0 0 348.830 4.005 20 10 EICDRN C[C@@H](NCc1ncc(-c2cccs2)o1)c1ccc(N(C)C)cc1 ZINC000775831330 1054112569 /nfs/dbraw/zinc/11/25/69/1054112569.db2.gz QNPQXEOPBUEEOJ-CYBMUJFWSA-N 0 0 327.453 4.320 20 10 EICDRN CCO[C@@H](C)c1nc(CN[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775834776 1054116286 /nfs/dbraw/zinc/11/62/86/1054116286.db2.gz CXKFQGAZLUAWSE-KGLIPLIRSA-N 0 0 333.501 4.157 20 10 EICDRN C[C@@H](NCc1cc(-c2cccs2)on1)c1ccc(N(C)C)cc1 ZINC000775837406 1054118812 /nfs/dbraw/zinc/11/88/12/1054118812.db2.gz SGXCHNGGWFLWPF-CYBMUJFWSA-N 0 0 327.453 4.320 20 10 EICDRN CCC(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000795139823 1054123348 /nfs/dbraw/zinc/12/33/48/1054123348.db2.gz JGEQTYQVZSKRRV-CYBMUJFWSA-N 0 0 341.411 4.427 20 10 EICDRN Cc1cccc(C)c1NC(=S)NCc1ncccc1C(F)(F)F ZINC001198371369 1054129788 /nfs/dbraw/zinc/12/97/88/1054129788.db2.gz GZEWONHHVPMOJB-UHFFFAOYSA-N 0 0 339.386 4.204 20 10 EICDRN Cc1cccc(C)c1NC(=S)NCc1cccc(OC2CCC2)n1 ZINC001198387654 1054134331 /nfs/dbraw/zinc/13/43/31/1054134331.db2.gz RLNOSSPHYRXSAM-UHFFFAOYSA-N 0 0 341.480 4.116 20 10 EICDRN CC[C@H](C(=O)N1Cc2cccc(O)c2C1)c1cccc(C(F)(F)F)c1 ZINC000871203664 1054167632 /nfs/dbraw/zinc/16/76/32/1054167632.db2.gz PLKNVNBUMHXCNJ-HNNXBMFYSA-N 0 0 349.352 4.447 20 10 EICDRN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)Cc1ccc(Cl)cc1 ZINC000871202752 1054168291 /nfs/dbraw/zinc/16/82/91/1054168291.db2.gz FBMBYMRXJVCVNL-CYBMUJFWSA-N 0 0 329.827 4.157 20 10 EICDRN CC(C)COc1ccccc1NC(=O)NCc1cc(Cl)ccc1O ZINC001198513793 1054179695 /nfs/dbraw/zinc/17/96/95/1054179695.db2.gz CGRUCEHFSZCBHH-UHFFFAOYSA-N 0 0 348.830 4.402 20 10 EICDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cscc1C(F)(F)F ZINC000857126787 1054182348 /nfs/dbraw/zinc/18/23/48/1054182348.db2.gz HWKCKEITZTZQPV-UHFFFAOYSA-N 0 0 342.386 4.071 20 10 EICDRN C[C@@H](NC(=O)c1cscc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000857181136 1054194653 /nfs/dbraw/zinc/19/46/53/1054194653.db2.gz IVZKDSDAPHNLEG-SNVBAGLBSA-N 0 0 342.386 4.324 20 10 EICDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)C(C)(C)C)ccc21 ZINC001626054573 1054208603 /nfs/dbraw/zinc/20/86/03/1054208603.db2.gz DDZCCGCTJOJYQW-AWEZNQCLSA-N 0 0 344.499 4.317 20 10 EICDRN Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265650801 1054219288 /nfs/dbraw/zinc/21/92/88/1054219288.db2.gz NCUPBKJSYBDMPQ-CQSZACIVSA-N 0 0 336.435 4.385 20 10 EICDRN Cc1ccc(CC(=O)NCc2c(O)ccc3c2CCCC3)c(Cl)c1 ZINC000857473509 1054265397 /nfs/dbraw/zinc/26/53/97/1054265397.db2.gz ZMBNIGDSRHSACM-UHFFFAOYSA-N 0 0 343.854 4.092 20 10 EICDRN C[C@@H](OC1CCCCCC1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000857473001 1054265958 /nfs/dbraw/zinc/26/59/58/1054265958.db2.gz QRIVOTUDQIFNGI-OAHLLOKOSA-N 0 0 345.483 4.015 20 10 EICDRN COc1cc(C)c(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775898556 1054282653 /nfs/dbraw/zinc/28/26/53/1054282653.db2.gz YSVMZKYQJXLJRI-ZDUSSCGKSA-N 0 0 345.418 4.091 20 10 EICDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000857547615 1054306839 /nfs/dbraw/zinc/30/68/39/1054306839.db2.gz MOEOFWQXVFZUOI-UHFFFAOYSA-N 0 0 338.234 4.293 20 10 EICDRN CCCN(CCC)c1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000871874991 1054314341 /nfs/dbraw/zinc/31/43/41/1054314341.db2.gz BMHJDLDXLUELEQ-XKGZKEIXSA-N 0 0 346.515 4.292 20 10 EICDRN COCC(C)(C)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000872104706 1054390165 /nfs/dbraw/zinc/39/01/65/1054390165.db2.gz NKOFBEWQKGDSBF-JTQLQIEISA-N 0 0 348.256 4.007 20 10 EICDRN Cc1cc2cc(NC(=O)NCc3ccc(N(C)C)cc3C)ccc2[nH]1 ZINC000115768353 1054393296 /nfs/dbraw/zinc/39/32/96/1054393296.db2.gz ZDQIYQVJSOQRCO-UHFFFAOYSA-N 0 0 336.439 4.172 20 10 EICDRN Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000872132578 1054407670 /nfs/dbraw/zinc/40/76/70/1054407670.db2.gz GPSBUARKOPCCDL-WPRPVWTQSA-N 0 0 326.227 4.209 20 10 EICDRN CCC(=O)Nc1ccc(C)c(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858101586 1054417197 /nfs/dbraw/zinc/41/71/97/1054417197.db2.gz CKCMFDGQLXFHSL-UHFFFAOYSA-N 0 0 347.409 4.300 20 10 EICDRN C[C@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000858202254 1054437695 /nfs/dbraw/zinc/43/76/95/1054437695.db2.gz QNRFEROEAUUVNC-CQSZACIVSA-N 0 0 342.405 4.224 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000776009256 1054443826 /nfs/dbraw/zinc/44/38/26/1054443826.db2.gz RPEHOBJWBISTPF-UHFFFAOYSA-N 0 0 330.255 4.092 20 10 EICDRN CN(Cc1cccs1)c1ccc(CNc2cnn(CCF)c2)cc1 ZINC000858246381 1054447220 /nfs/dbraw/zinc/44/72/20/1054447220.db2.gz HLCNZAKNLWMQKV-UHFFFAOYSA-N 0 0 344.459 4.163 20 10 EICDRN C[C@H]1CC(=O)N(C)c2ccc(NCc3cc(Cl)ccc3O)cc21 ZINC000858311011 1054460248 /nfs/dbraw/zinc/46/02/48/1054460248.db2.gz DGHWVDSAMAUCKZ-NSHDSACASA-N 0 0 330.815 4.128 20 10 EICDRN C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccco1 ZINC000858341866 1054469053 /nfs/dbraw/zinc/46/90/53/1054469053.db2.gz MQOPRNCZMWXVMC-HNNXBMFYSA-N 0 0 326.440 4.030 20 10 EICDRN CCN(CC)c1ccc(CN[C@H]2CCCc3scnc32)cc1F ZINC000858364082 1054474905 /nfs/dbraw/zinc/47/49/05/1054474905.db2.gz RGWOQXOIHCEBGI-HNNXBMFYSA-N 0 0 333.476 4.296 20 10 EICDRN CSc1ccc(C)c(NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000776029866 1054489272 /nfs/dbraw/zinc/48/92/72/1054489272.db2.gz LORASZMWDOSIJF-UHFFFAOYSA-N 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CC[C@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccc(C)cc1 ZINC000103597255 1046912065 /nfs/dbraw/zinc/91/20/65/1046912065.db2.gz CDUZIQRWENZDDM-KDOFPFPSSA-N 0 0 342.439 4.221 20 10 EICDRN CCOc1ccc([C@H]2Nc3cc(Cl)ccc3C(=O)N2CC)c(O)c1 ZINC000917499839 1046912345 /nfs/dbraw/zinc/91/23/45/1046912345.db2.gz NFCYQTNQCGUBDJ-KRWDZBQOSA-N 0 0 346.814 4.031 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)cc1 ZINC001130312124 1046968724 /nfs/dbraw/zinc/96/87/24/1046968724.db2.gz AEILYLNVAKDFNG-UAPYVXQJSA-N 0 0 340.467 4.170 20 10 EICDRN COc1cc(O)c(CNc2ccc(C)c(OC(C)C)c2)cc1OC ZINC000787300085 1046987594 /nfs/dbraw/zinc/98/75/94/1046987594.db2.gz DRBDHEIPEVPXNZ-UHFFFAOYSA-N 0 0 331.412 4.117 20 10 EICDRN COc1c(O)c(CNc2ccc(C)c(OC(C)C)c2)ccc1[N+](=O)[O-] ZINC000787300660 1046987721 /nfs/dbraw/zinc/98/77/21/1046987721.db2.gz RFQJADNXGYLQBO-UHFFFAOYSA-N 0 0 346.383 4.017 20 10 EICDRN COc1ccc(N(C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1OC ZINC000787413336 1047004617 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CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132532 1047128151 /nfs/dbraw/zinc/12/81/51/1047128151.db2.gz XKKHOKBQFBXWGY-JYJNAYRXSA-N 0 0 343.298 4.367 20 10 EICDRN CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806133492 1047129837 /nfs/dbraw/zinc/12/98/37/1047129837.db2.gz ABIVDSNXPJGWJZ-TVQRCGJNSA-N 0 0 347.286 4.043 20 10 EICDRN CC[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc(Cl)c1[O-] ZINC000806140063 1047135102 /nfs/dbraw/zinc/13/51/02/1047135102.db2.gz GKDLQXRNTTTYDV-XJKSGUPXSA-N 0 0 325.861 4.056 20 10 EICDRN CC[C@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1cccc(Cl)c1[O-] ZINC000806137632 1047135862 /nfs/dbraw/zinc/13/58/62/1047135862.db2.gz QDPMAQYIUKBEPL-INIZCTEOSA-N 0 0 334.847 4.307 20 10 EICDRN CC[C@H]([NH2+]CCn1c(C)nc2ccccc21)c1cccc(Cl)c1[O-] ZINC000806127678 1047147864 /nfs/dbraw/zinc/14/78/64/1047147864.db2.gz IUGJBBGZLCKYQK-INIZCTEOSA-N 0 0 343.858 4.445 20 10 EICDRN CC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129695 1047150554 /nfs/dbraw/zinc/15/05/54/1047150554.db2.gz ICQWWNUOVJJFQP-MRXNPFEDSA-N 0 0 343.298 4.367 20 10 EICDRN CCN(C)C(=O)c1cccc(N[C@H](C)c2ccc(N(C)CC)cc2)c1 ZINC000806170526 1047154633 /nfs/dbraw/zinc/15/46/33/1047154633.db2.gz VLQUOFJBEKFGJO-MRXNPFEDSA-N 0 0 339.483 4.408 20 10 EICDRN CCN(C)C(=O)c1cccc(N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000806170326 1047157390 /nfs/dbraw/zinc/15/73/90/1047157390.db2.gz QQBAOICJDHUSFK-OAHLLOKOSA-N 0 0 325.456 4.018 20 10 EICDRN C[C@H]([NH2+]CCC1(F)CCC1)c1cc(Br)cc(F)c1[O-] ZINC000806176069 1047162283 /nfs/dbraw/zinc/16/22/83/1047162283.db2.gz KCZZXTNKNVIBKT-VIFPVBQESA-N 0 0 334.204 4.227 20 10 EICDRN CC[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139325 1047162858 /nfs/dbraw/zinc/16/28/58/1047162858.db2.gz NXZYYFMCPYARTA-BBRMVZONSA-N 0 0 343.298 4.224 20 10 EICDRN CC[C@H]([NH2+]CCc1cn2cccc(C)c2n1)c1cccc(Cl)c1[O-] ZINC000806140822 1047165179 /nfs/dbraw/zinc/16/51/79/1047165179.db2.gz CATRRBUMBZYAQG-KRWDZBQOSA-N 0 0 343.858 4.285 20 10 EICDRN CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806150516 1047175300 /nfs/dbraw/zinc/17/53/00/1047175300.db2.gz VBEYWGCYSPGOQT-CMPLNLGQSA-N 0 0 346.176 4.053 20 10 EICDRN CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806150519 1047175851 /nfs/dbraw/zinc/17/58/51/1047175851.db2.gz VBEYWGCYSPGOQT-ZYHUDNBSSA-N 0 0 346.176 4.053 20 10 EICDRN CC[C@H]([NH2+]CCOCC(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806160998 1047183302 /nfs/dbraw/zinc/18/33/02/1047183302.db2.gz HKVYMTIYGOQWQB-NSHDSACASA-N 0 0 328.186 4.021 20 10 EICDRN CC[C@@H]([NH2+]CCOC(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806160919 1047184266 /nfs/dbraw/zinc/18/42/66/1047184266.db2.gz FYUIQGNJRMOBEH-SNVBAGLBSA-N 0 0 332.149 4.276 20 10 EICDRN CC[C@H](Nc1ccc(OC2COC2)cc1)c1cccc(Cl)c1O ZINC000806161192 1047185356 /nfs/dbraw/zinc/18/53/56/1047185356.db2.gz NWZJVTKGKCSXOM-KRWDZBQOSA-N 0 0 333.815 4.386 20 10 EICDRN CC[C@@H](Nc1ccc2ccc(=O)n(C)c2c1)c1cccc(Cl)c1O ZINC000806163166 1047186296 /nfs/dbraw/zinc/18/62/96/1047186296.db2.gz MOFMKVIOEFQCBF-MRXNPFEDSA-N 0 0 342.826 4.461 20 10 EICDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(C)s2)C1 ZINC001204033433 1047187684 /nfs/dbraw/zinc/18/76/84/1047187684.db2.gz YYCITZQLAVSDCV-UHFFFAOYSA-N 0 0 326.465 4.115 20 10 EICDRN CC[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc(Cl)c1[O-] ZINC000806165733 1047187940 /nfs/dbraw/zinc/18/79/40/1047187940.db2.gz OJWPCYKIAKFRIF-MRXNPFEDSA-N 0 0 329.831 4.205 20 10 EICDRN COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)CCC(C)=C(C)C2)cc1 ZINC001130548284 1047195559 /nfs/dbraw/zinc/19/55/59/1047195559.db2.gz WNVDCQAOGYSNAD-OAQYLSRUSA-N 0 0 344.499 4.116 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1[O-] ZINC000806181006 1047203119 /nfs/dbraw/zinc/20/31/19/1047203119.db2.gz VAFJMQRBPGNCGI-SUMWQHHRSA-N 0 0 337.822 4.002 20 10 EICDRN Brc1cnc(COc2ccc(N3CCCC3)cc2)s1 ZINC000788501989 1047207472 /nfs/dbraw/zinc/20/74/72/1047207472.db2.gz GBKZUZQFAAUAJP-UHFFFAOYSA-N 0 0 339.258 4.085 20 10 EICDRN c1csc(SCCCNc2nccc(Oc3ccccc3)n2)n1 ZINC000788534166 1047231183 /nfs/dbraw/zinc/23/11/83/1047231183.db2.gz HJHZIFUDBWQHNR-UHFFFAOYSA-N 0 0 344.465 4.320 20 10 EICDRN C[C@@H]([NH2+]CCn1cnc2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000788575442 1047237159 /nfs/dbraw/zinc/23/71/59/1047237159.db2.gz WQWYJYPYLNFVFD-GFCCVEGCSA-N 0 0 349.356 4.112 20 10 EICDRN CC[C@@H](C)[C@H](C)N(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000746754467 1047247589 /nfs/dbraw/zinc/24/75/89/1047247589.db2.gz KDUOBQZBXXDFMU-KGLIPLIRSA-N 0 0 335.467 4.000 20 10 EICDRN C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000788618797 1047250147 /nfs/dbraw/zinc/25/01/47/1047250147.db2.gz BKLLHAIRQBXXQP-LSDHHAIUSA-N 0 0 346.421 4.238 20 10 EICDRN C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000788615161 1047251075 /nfs/dbraw/zinc/25/10/75/1047251075.db2.gz WBIVWGWWPFGKKD-CVEARBPZSA-N 0 0 328.431 4.099 20 10 EICDRN C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1[O-] ZINC000788632297 1047255210 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C[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[C@H]1C ZINC000918055562 1047306182 /nfs/dbraw/zinc/30/61/82/1047306182.db2.gz FUCLPXQRVILVIQ-GQIGUUNPSA-N 0 0 343.515 4.251 20 10 EICDRN CCC1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000918083304 1047314379 /nfs/dbraw/zinc/31/43/79/1047314379.db2.gz VYVVLTPJGNHSFX-UHFFFAOYSA-N 0 0 343.515 4.395 20 10 EICDRN CC[C@H](C)[C@H](C)N(C(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000746767494 1047317782 /nfs/dbraw/zinc/31/77/82/1047317782.db2.gz WYZQKPXNJCQDQS-HOCLYGCPSA-N 0 0 331.504 4.170 20 10 EICDRN CC[C@H](C)[C@@H](C)N(C(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000746767491 1047319103 /nfs/dbraw/zinc/31/91/03/1047319103.db2.gz WYZQKPXNJCQDQS-GOEBONIOSA-N 0 0 331.504 4.170 20 10 EICDRN COc1ccc(-n2c(C)cc(C(=O)N(CC3CC3)C(C)C)c2C)cc1 ZINC000918107592 1047323562 /nfs/dbraw/zinc/32/35/62/1047323562.db2.gz NUQQOXJYWHBXLC-UHFFFAOYSA-N 0 0 340.467 4.363 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)c2cc3c(cccc3F)[nH]2)cc1 ZINC000918113036 1047327182 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O=C1c2ccccc2C(=O)c2cc(Nc3cc(F)ccc3O)ccc21 ZINC001174630871 1051093893 /nfs/dbraw/zinc/09/38/93/1051093893.db2.gz OGQZITIKJCTWSQ-UHFFFAOYSA-N 0 0 333.318 4.050 20 10 EICDRN Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2COCCO2)c(C)c1 ZINC001181001055 1051128763 /nfs/dbraw/zinc/12/87/63/1051128763.db2.gz GKFBVYOIACRDBT-VEGAHXMMSA-N 0 0 339.395 4.073 20 10 EICDRN Cc1cccc(OCCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1C ZINC001181390856 1051223873 /nfs/dbraw/zinc/22/38/73/1051223873.db2.gz MMVSQEBSMTXRLS-UHFFFAOYSA-N 0 0 337.822 4.360 20 10 EICDRN COc1ccc(N(Cc2nnc(C)s2)Cc2ccccc2)cc1 ZINC000773431520 1051261485 /nfs/dbraw/zinc/26/14/85/1051261485.db2.gz WNJAQJIAWLRAQU-UHFFFAOYSA-N 0 0 325.437 4.062 20 10 EICDRN C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(N(C)C)cc1 ZINC000775407379 1051264897 /nfs/dbraw/zinc/26/48/97/1051264897.db2.gz TVOKGRWGLNRGAB-LBPRGKRZSA-N 0 0 341.842 4.378 20 10 EICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1CCc2ccccc21 ZINC001181765990 1051301975 /nfs/dbraw/zinc/30/19/75/1051301975.db2.gz 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C[C@H]([NH2+]CCCNc1ccccn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774217223 1051515315 /nfs/dbraw/zinc/51/53/15/1051515315.db2.gz LDOREBFYANTDPA-NSHDSACASA-N 0 0 340.254 4.247 20 10 EICDRN C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774245983 1051520114 /nfs/dbraw/zinc/52/01/14/1051520114.db2.gz WSKSMWYGTBAVCB-RFAUZJTJSA-N 0 0 344.213 4.222 20 10 EICDRN C[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000774250496 1051523769 /nfs/dbraw/zinc/52/37/69/1051523769.db2.gz NPOMLKRATGRPJZ-LLVKDONJSA-N 0 0 335.423 4.078 20 10 EICDRN CC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774256645 1051529027 /nfs/dbraw/zinc/52/90/27/1051529027.db2.gz MVCUTHPUQZDVHS-CYBMUJFWSA-N 0 0 341.480 4.003 20 10 EICDRN C[C@H](NC(=S)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000774257369 1051532577 /nfs/dbraw/zinc/53/25/77/1051532577.db2.gz PVFBVZIQBZJCOQ-GJZGRUSLSA-N 0 0 327.497 4.039 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccncc1CC ZINC000774329807 1051557687 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Cn1cc2c(cccc2N(Cc2ccccc2)c2ccc(N)cc2)n1 ZINC001175592284 1051659389 /nfs/dbraw/zinc/65/93/89/1051659389.db2.gz RDOSCZJKJKSNSW-UHFFFAOYSA-N 0 0 328.419 4.494 20 10 EICDRN CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775511545 1051660073 /nfs/dbraw/zinc/66/00/73/1051660073.db2.gz CACLHZZYBJYARI-ONERCXAPSA-N 0 0 343.298 4.222 20 10 EICDRN O=C(CCC1CCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000071797583 1051669612 /nfs/dbraw/zinc/66/96/12/1051669612.db2.gz NHZUXEIFOBKALZ-UHFFFAOYSA-N 0 0 327.424 4.484 20 10 EICDRN CC[C@@H]([NH2+]CCCc1nc(C)no1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775518912 1051682648 /nfs/dbraw/zinc/68/26/48/1051682648.db2.gz IPCJWSUKMIYLAY-GFCCVEGCSA-N 0 0 344.242 4.064 20 10 EICDRN COc1ccc2c(c1)CCCCN2Cc1nccn1Cc1ccccc1 ZINC001192313190 1051689096 /nfs/dbraw/zinc/68/90/96/1051689096.db2.gz BLRRNAYFJCNBQO-UHFFFAOYSA-N 0 0 347.462 4.283 20 10 EICDRN CC[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775522426 1051697584 /nfs/dbraw/zinc/69/75/84/1051697584.db2.gz 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1052156623 /nfs/dbraw/zinc/15/66/23/1052156623.db2.gz OLEFRZGNOOIYLC-UHFFFAOYSA-N 0 0 342.782 4.191 20 10 EICDRN Cc1cnc(Cl)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001124872979 1052195917 /nfs/dbraw/zinc/19/59/17/1052195917.db2.gz TWBYESDWWXGMNT-UHFFFAOYSA-N 0 0 345.874 4.160 20 10 EICDRN C[C@@H](NC(=O)N(C)Cc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000773609738 1052227627 /nfs/dbraw/zinc/22/76/27/1052227627.db2.gz BETQJHHYKZYNHU-CQSZACIVSA-N 0 0 345.874 4.309 20 10 EICDRN C[C@@H](NC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1)c1ccc(N(C)C)cc1 ZINC000773615525 1052234275 /nfs/dbraw/zinc/23/42/75/1052234275.db2.gz DHPZODCPHOPAIQ-QINHECLXSA-N 0 0 329.488 4.035 20 10 EICDRN CC[C@H](C)Oc1cc(NCc2c(O)ccc3c2CCCC3)nc(C)n1 ZINC001185519157 1052254776 /nfs/dbraw/zinc/25/47/76/1052254776.db2.gz UXDSPVHAPXRDTM-ZDUSSCGKSA-N 0 0 341.455 4.159 20 10 EICDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2scnc2C2CC2)cc1 ZINC001185694196 1052281645 /nfs/dbraw/zinc/28/16/45/1052281645.db2.gz PMZCCIZFUFXGJY-UHFFFAOYSA-N 0 0 349.459 4.450 20 10 EICDRN Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1C ZINC000072622122 1052515503 /nfs/dbraw/zinc/51/55/03/1052515503.db2.gz OVOGOASHSYGUEI-UHFFFAOYSA-N 0 0 335.403 4.445 20 10 EICDRN C[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(F)cc1[O-] ZINC000185406680 1052595739 /nfs/dbraw/zinc/59/57/39/1052595739.db2.gz VJLIGHQFSDLCSF-XCLFUZPHSA-N 0 0 325.383 4.069 20 10 EICDRN Cc1ccc2[nH]cc(CCC(=O)N(C)Cc3ccc(N(C)C)cc3)c2c1 ZINC000072829943 1052609839 /nfs/dbraw/zinc/60/98/39/1052609839.db2.gz HGQQDKQYSHCQEG-UHFFFAOYSA-N 0 0 349.478 4.134 20 10 EICDRN C[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccc(F)cc1[O-] ZINC000185720700 1052685208 /nfs/dbraw/zinc/68/52/08/1052685208.db2.gz GFCLKIXKVPINPX-BZNIZROVSA-N 0 0 331.412 4.130 20 10 EICDRN CCc1cccc(C)c1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000182923363 1052955614 /nfs/dbraw/zinc/95/56/14/1052955614.db2.gz LACPXMLLIFJDRH-UHFFFAOYSA-N 0 0 339.439 4.054 20 10 EICDRN COc1ccsc1/C=C1/SC(=S)N(C2CCCCC2)C1=O ZINC000764412142 1053087516 /nfs/dbraw/zinc/08/75/16/1053087516.db2.gz DELHMDGZYGHYCH-UKTHLTGXSA-N 0 0 339.507 4.291 20 10 EICDRN CC(C)(C)n1cc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)cn1 ZINC001194801382 1053103604 /nfs/dbraw/zinc/10/36/04/1053103604.db2.gz IJWHBVAZIGFKOV-UHFFFAOYSA-N 0 0 348.450 4.067 20 10 EICDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1cccc(O)c1 ZINC000863994557 1053117147 /nfs/dbraw/zinc/11/71/47/1053117147.db2.gz DKUVTOVNYDTNLF-UHFFFAOYSA-N 0 0 348.358 4.144 20 10 EICDRN CCOc1ccc(O)c(CNc2ccc3c(c2)[C@@H](O)CCCC3)c1 ZINC000850362461 1053132823 /nfs/dbraw/zinc/13/28/23/1053132823.db2.gz IWDVANQDLOVTBU-FQEVSTJZSA-N 0 0 327.424 4.163 20 10 EICDRN CCOc1ccc(CNc2ccc3c(c2)[C@@H](O)CCCC3)c(O)c1 ZINC000850361969 1053133391 /nfs/dbraw/zinc/13/33/91/1053133391.db2.gz DYOZIGDGNATSNE-IBGZPJMESA-N 0 0 327.424 4.163 20 10 EICDRN Cc1c(NCc2cc3c(cc2O)OCO3)cccc1C(F)(F)F ZINC000864025067 1053156729 /nfs/dbraw/zinc/15/67/29/1053156729.db2.gz MRXYBGXZSAZGJO-UHFFFAOYSA-N 0 0 325.286 4.060 20 10 EICDRN Cc1cn(C)nc1NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000850421270 1053191731 /nfs/dbraw/zinc/19/17/31/1053191731.db2.gz SNCRQGUPYDIJKZ-UHFFFAOYSA-N 0 0 326.469 4.039 20 10 EICDRN CSCCCN1C(=O)/C(=C/c2ccc3occc3c2)SC1=S ZINC000794679198 1053258949 /nfs/dbraw/zinc/25/89/49/1053258949.db2.gz FSJQNWNIYBCBJH-UVTDQMKNSA-N 0 0 349.502 4.387 20 10 EICDRN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850493580 1053259775 /nfs/dbraw/zinc/25/97/75/1053259775.db2.gz JTJBNKIZGIQYNU-MNOVXSKESA-N 0 0 331.287 4.222 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cc(Br)cc(F)c1[O-] ZINC000850511442 1053268461 /nfs/dbraw/zinc/26/84/61/1053268461.db2.gz FBTRHYVCYFQBEV-SFYZADRCSA-N 0 0 345.237 4.162 20 10 EICDRN C[C@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775639015 1053279714 /nfs/dbraw/zinc/27/97/14/1053279714.db2.gz MFMXCZRBAGWKKN-JTQLQIEISA-N 0 0 337.345 4.053 20 10 EICDRN CC[C@H]([NH2+]CCc1cncc(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850548983 1053307302 /nfs/dbraw/zinc/30/73/02/1053307302.db2.gz CCBYVFBLRPARHM-AWEZNQCLSA-N 0 0 340.254 4.081 20 10 EICDRN C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1[O-] ZINC000850555538 1053313025 /nfs/dbraw/zinc/31/30/25/1053313025.db2.gz HRVRXPKFYRTNOJ-XXFAHNHDSA-N 0 0 344.213 4.222 20 10 EICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(O[C@@H]3CC3(F)F)cc2)c1 ZINC000850564337 1053319510 /nfs/dbraw/zinc/31/95/10/1053319510.db2.gz QEGHQOJHYMHAGH-PIGZYNQJSA-N 0 0 335.350 4.360 20 10 EICDRN CC[C@@H](N[C@H](c1nccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764809143 1053322059 /nfs/dbraw/zinc/32/20/59/1053322059.db2.gz ICRWARHISJJFAD-RTWAWAEBSA-N 0 0 348.494 4.316 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000775647009 1053324726 /nfs/dbraw/zinc/32/47/26/1053324726.db2.gz QPUWSOGZCPPRKU-GOSISDBHSA-N 0 0 342.870 4.094 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)c1nccn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000850573238 1053328845 /nfs/dbraw/zinc/32/88/45/1053328845.db2.gz XLHHKOLCKXBVIO-ZANVPECISA-N 0 0 328.243 4.234 20 10 EICDRN C[C@H](CCCc1ccccc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000775646857 1053345621 /nfs/dbraw/zinc/34/56/21/1053345621.db2.gz KVXNSZHPVDPBPB-GOSISDBHSA-N 0 0 338.495 4.370 20 10 EICDRN Cc1cc(CNC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)no1 ZINC001195254749 1053347670 /nfs/dbraw/zinc/34/76/70/1053347670.db2.gz LZFRDTXEEPOPTF-QZQOTICOSA-N 0 0 336.351 4.034 20 10 EICDRN O=C(Nc1cncc(O)c1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195262265 1053351540 /nfs/dbraw/zinc/35/15/40/1053351540.db2.gz OFHRLECUKJAVKF-QURGRASLSA-N 0 0 334.335 4.161 20 10 EICDRN Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(C)nc3)SC2=S)c1 ZINC000764890914 1053352957 /nfs/dbraw/zinc/35/29/57/1053352957.db2.gz GQFWQULNYOZQRS-CXUHLZMHSA-N 0 0 340.473 4.413 20 10 EICDRN COCCN(C(=O)c1ccccc1NN=C1C=CC(=O)C=C1)C(C)C ZINC001195266772 1053353758 /nfs/dbraw/zinc/35/37/58/1053353758.db2.gz ZFDNRGQZVMCUCT-QZQOTICOSA-N 0 0 341.411 4.305 20 10 EICDRN Cc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3F)C2=O)cn1 ZINC000764892086 1053353600 /nfs/dbraw/zinc/35/36/00/1053353600.db2.gz SOBNRRBPPCANFL-NSIKDUERSA-N 0 0 348.399 4.074 20 10 EICDRN CCN(CC(C)(C)O)C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195266145 1053354401 /nfs/dbraw/zinc/35/44/01/1053354401.db2.gz PECSVJOFQBLTOP-QZQOTICOSA-N 0 0 341.411 4.041 20 10 EICDRN Cc1ccc(N2C(=O)/C(=C\c3ccc(C)nc3)SC2=S)cc1 ZINC000764887350 1053358320 /nfs/dbraw/zinc/35/83/20/1053358320.db2.gz LYGHELXLAZYPQF-OQLLNIDSSA-N 0 0 326.446 4.104 20 10 EICDRN COCC1(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)CCC1 ZINC001195280291 1053359802 /nfs/dbraw/zinc/35/98/02/1053359802.db2.gz ZEWPAYDPZRHCFJ-QURGRASLSA-N 0 0 339.395 4.107 20 10 EICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1ccn(C(C)C)n1 ZINC001195321903 1053359843 /nfs/dbraw/zinc/35/98/43/1053359843.db2.gz BVOOYUZKLXTPHF-QGZVFWFLSA-N 0 0 327.472 4.308 20 10 EICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCCOCC(F)(F)F ZINC001195324290 1053360541 /nfs/dbraw/zinc/36/05/41/1053360541.db2.gz OBFXQFAWHBQAHH-HNNXBMFYSA-N 0 0 345.405 4.299 20 10 EICDRN CN(C)c1ccc(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000794797509 1053381513 /nfs/dbraw/zinc/38/15/13/1053381513.db2.gz ZIYHGKHZDHVBGO-NRFANRHFSA-N 0 0 346.478 4.106 20 10 EICDRN CC(=O)c1c(F)cccc1NCc1cccc(Br)c1O ZINC000764933504 1053384385 /nfs/dbraw/zinc/38/43/85/1053384385.db2.gz DKVIWNJFYRWHPP-UHFFFAOYSA-N 0 0 338.176 4.109 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)CCCCCc2cccs2)c1 ZINC000109627619 1053387364 /nfs/dbraw/zinc/38/73/64/1053387364.db2.gz VWHWOGVJDZZVSP-AWEZNQCLSA-N 0 0 347.480 4.443 20 10 EICDRN CCCNC(=O)c1cccc(N[C@H](CC)c2ccc(C)cc2O)c1 ZINC000794813299 1053420425 /nfs/dbraw/zinc/42/04/25/1053420425.db2.gz OZPYVPBFGKRANQ-GOSISDBHSA-N 0 0 326.440 4.404 20 10 EICDRN CN(Cc1ccccc1O)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000109771332 1053422206 /nfs/dbraw/zinc/42/22/06/1053422206.db2.gz LWOYRFRQVAZEDH-NRFANRHFSA-N 0 0 346.430 4.204 20 10 EICDRN COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000794824125 1053438497 /nfs/dbraw/zinc/43/84/97/1053438497.db2.gz IFOTZQIDEKMJHY-CRAIPNDOSA-N 0 0 331.431 4.220 20 10 EICDRN Cc1cc(C(=O)NC2CCSCC2)c(C)n1-c1cccc(Cl)c1 ZINC000109951369 1053468542 /nfs/dbraw/zinc/46/85/42/1053468542.db2.gz VJACDSNCEZTKCI-UHFFFAOYSA-N 0 0 348.899 4.373 20 10 EICDRN COc1nccc2cc(NCc3cc(F)c(N(C)C)cc3F)ccc21 ZINC001202483017 1053507909 /nfs/dbraw/zinc/50/79/09/1053507909.db2.gz DBZFHGSIYYFUOR-UHFFFAOYSA-N 0 0 343.377 4.200 20 10 EICDRN C[C@H](Nc1cccc2c1CCO2)c1cc(Br)ccc1O ZINC000794839032 1053514547 /nfs/dbraw/zinc/51/45/47/1053514547.db2.gz YENQKOXYWMGOPC-JTQLQIEISA-N 0 0 334.213 4.263 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000120580480 1053519794 /nfs/dbraw/zinc/51/97/94/1053519794.db2.gz STABRRDAMHPSSO-UHFFFAOYSA-N 0 0 327.211 4.080 20 10 EICDRN C[C@H](O)CCCSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000794423633 1053520294 /nfs/dbraw/zinc/52/02/94/1053520294.db2.gz BEOKHXDDHOHXDB-HNNXBMFYSA-N 0 0 342.464 4.445 20 10 EICDRN Cc1ccc(F)cc1NC(=S)NCc1cc(C(F)(F)F)ccn1 ZINC001195931729 1053531728 /nfs/dbraw/zinc/53/17/28/1053531728.db2.gz GQBLMGUBAORZCN-UHFFFAOYSA-N 0 0 343.349 4.035 20 10 EICDRN Cc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000794852274 1053553185 /nfs/dbraw/zinc/55/31/85/1053553185.db2.gz NFUYXKZFMTWJSE-UHFFFAOYSA-N 0 0 328.481 4.319 20 10 EICDRN Cc1cc(F)ccc1NC(=S)NCc1cc(C(F)(F)F)ccn1 ZINC001196143412 1053589341 /nfs/dbraw/zinc/58/93/41/1053589341.db2.gz PAWVYJSPKVYAQL-UHFFFAOYSA-N 0 0 343.349 4.035 20 10 EICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000794892399 1053629733 /nfs/dbraw/zinc/62/97/33/1053629733.db2.gz NROZZORDWSKDSJ-INIZCTEOSA-N 0 0 336.426 4.071 20 10 EICDRN C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccc2c(c1)CCCO2 ZINC000853239759 1053655734 /nfs/dbraw/zinc/65/57/34/1053655734.db2.gz DEIDRSUMAJVNMH-VXGBXAGGSA-N 0 0 333.378 4.407 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccnn1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000853239958 1053656006 /nfs/dbraw/zinc/65/60/06/1053656006.db2.gz KTYOOEOYWWFVSW-CYBMUJFWSA-N 0 0 328.243 4.156 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1ccc(F)cc1[O-] ZINC000853240831 1053657772 /nfs/dbraw/zinc/65/77/72/1053657772.db2.gz ILWWYGZRUKLSFB-SUMWQHHRSA-N 0 0 337.398 4.055 20 10 EICDRN CC[C@@H](C)n1nc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775715352 1053663147 /nfs/dbraw/zinc/66/31/47/1053663147.db2.gz REOAKWDCJLQYHG-UKRRQHHQSA-N 0 0 343.475 4.111 20 10 EICDRN CN(Cc1csc(-c2ccc(F)cc2)n1)Cc1ccccc1O ZINC000111235326 1053667172 /nfs/dbraw/zinc/66/71/72/1053667172.db2.gz YTFBLRPXFJXRPU-UHFFFAOYSA-N 0 0 328.412 4.287 20 10 EICDRN CCCC(=O)c1ncccc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000853468458 1053678764 /nfs/dbraw/zinc/67/87/64/1053678764.db2.gz VBNUXWLPRQUPJW-UHFFFAOYSA-N 0 0 341.842 4.407 20 10 EICDRN CCc1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)cc1 ZINC000121004115 1053691929 /nfs/dbraw/zinc/69/19/29/1053691929.db2.gz SGZPJBWIUWDRCP-RVDMUPIBSA-N 0 0 326.446 4.050 20 10 EICDRN C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccc(F)cc1[O-] ZINC000866408814 1053718083 /nfs/dbraw/zinc/71/80/83/1053718083.db2.gz FEILDDUHNWAGPD-MGPLVRAMSA-N 0 0 341.785 4.098 20 10 EICDRN COc1cccc([C@H](C)Nc2ccc([C@@H](O)C(F)(F)F)cc2)c1O ZINC000866417844 1053722600 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/nfs/dbraw/zinc/39/68/93/1050396893.db2.gz JYDHVGGZXYKLAF-VOTSOKGWSA-N 0 0 336.416 4.095 20 10 EICDRN Oc1c(F)cc(Cl)cc1CNc1cnn(-c2ccccc2F)c1 ZINC001178199826 1050402542 /nfs/dbraw/zinc/40/25/42/1050402542.db2.gz XNTFPFJQVGLSAE-UHFFFAOYSA-N 0 0 335.741 4.122 20 10 EICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1CCC(F)(F)C1 ZINC001186896524 1050438348 /nfs/dbraw/zinc/43/83/48/1050438348.db2.gz JUBKVSGPRVVQFG-WBMJQRKESA-N 0 0 337.410 4.184 20 10 EICDRN CC(C)[C@H](CC1CCCCC1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773739278 1050438588 /nfs/dbraw/zinc/43/85/88/1050438588.db2.gz DFAWRUFDZLMPGW-QAPCUYQASA-N 0 0 347.499 4.388 20 10 EICDRN CCOc1ccc2ccccc2c1C(=O)NCc1c(O)cccc1F ZINC001178413662 1050466484 /nfs/dbraw/zinc/46/64/84/1050466484.db2.gz VPEFALPKDMKBFO-UHFFFAOYSA-N 0 0 339.366 4.013 20 10 EICDRN Cc1ccc(O)c(CNc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC001187091782 1050480579 /nfs/dbraw/zinc/48/05/79/1050480579.db2.gz RLKSMQOTYXQCSP-UHFFFAOYSA-N 0 0 333.313 4.275 20 10 EICDRN CCC[C@@H](CC1CCCC1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773759956 1050522307 /nfs/dbraw/zinc/52/23/07/1050522307.db2.gz BPIXGNXZCKZMTH-YOEHRIQHSA-N 0 0 333.472 4.142 20 10 EICDRN CCN(C)c1ccc(CN[C@@H](c2nccs2)c2ccccc2)cc1 ZINC000773777924 1050574149 /nfs/dbraw/zinc/57/41/49/1050574149.db2.gz WJUVLBOAEJQLOY-LJQANCHMSA-N 0 0 337.492 4.478 20 10 EICDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1c(F)cccc1F ZINC001173859326 1050588555 /nfs/dbraw/zinc/58/85/55/1050588555.db2.gz RRZFSGFCXWNDSD-NFTWOGHHSA-N 0 0 325.322 4.233 20 10 EICDRN CCC(C)(C)C1CCC2(C[C@H]2C(=O)NCc2c(O)cccc2O)CC1 ZINC001178912144 1050589172 /nfs/dbraw/zinc/58/91/72/1050589172.db2.gz QPZMNGCAHJBIOK-PKAMJGAUSA-N 0 0 345.483 4.347 20 10 EICDRN CC(=O)Nc1cccc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001173833836 1050602132 /nfs/dbraw/zinc/60/21/32/1050602132.db2.gz BXLXRODNAWXUCF-UHFFFAOYSA-N 0 0 331.375 4.015 20 10 EICDRN C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC001187712823 1050605981 /nfs/dbraw/zinc/60/59/81/1050605981.db2.gz 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/nfs/dbraw/zinc/63/59/18/1050635918.db2.gz ZBMAUELTKYOBIB-UHFFFAOYSA-N 0 0 344.720 4.274 20 10 EICDRN Cc1cc(O)c(CNc2ccc3c(c2)SCC(=O)N3)c(Cl)c1 ZINC001179407378 1050696515 /nfs/dbraw/zinc/69/65/15/1050696515.db2.gz ZSVCZKCGBYIUAF-UHFFFAOYSA-N 0 0 334.828 4.010 20 10 EICDRN COc1cccc(Nc2ccccc2C(=O)c2ccncc2)c1OC ZINC001174018219 1050705128 /nfs/dbraw/zinc/70/51/28/1050705128.db2.gz PLVKRSQUBPCWLJ-UHFFFAOYSA-N 0 0 334.375 4.073 20 10 EICDRN CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000763530709 1050719522 /nfs/dbraw/zinc/71/95/22/1050719522.db2.gz MPBQCKUOJBVFMY-TZMCWYRMSA-N 0 0 332.271 4.382 20 10 EICDRN CN(C)C(=O)c1cccc(Nc2cccc3c2C(=O)c2ccccc2-3)c1 ZINC001174088157 1050762458 /nfs/dbraw/zinc/76/24/58/1050762458.db2.gz OLUIEALALQKANP-UHFFFAOYSA-N 0 0 342.398 4.343 20 10 EICDRN Cc1cc(C(=O)N[C@H]2CCS[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC001179764084 1050775233 /nfs/dbraw/zinc/77/52/33/1050775233.db2.gz ZDFDHLVIKCTYSR-CJNGLKHVSA-N 0 0 346.471 4.247 20 10 EICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](C)CC(F)(F)F ZINC001179872291 1050811198 /nfs/dbraw/zinc/81/11/98/1050811198.db2.gz UYPVOYKLXNVEPX-NHYWBVRUSA-N 0 0 343.389 4.337 20 10 EICDRN O=C(NC1CCCC1)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000775181867 1050811662 /nfs/dbraw/zinc/81/16/62/1050811662.db2.gz XBPKSICMYIWAHM-UHFFFAOYSA-N 0 0 344.842 4.330 20 10 EICDRN O=C(C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC001179925460 1050818595 /nfs/dbraw/zinc/81/85/95/1050818595.db2.gz PZFSZXUGJFJKQP-MRXNPFEDSA-N 0 0 347.817 4.422 20 10 EICDRN CCC[C@@H]1CCCN1C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001179949007 1050827562 /nfs/dbraw/zinc/82/75/62/1050827562.db2.gz OYPMWZPGJKEDMN-LJQANCHMSA-N 0 0 338.451 4.311 20 10 EICDRN CNc1ccc(N(c2ccc(N)cc2)c2ccc(OC)cc2)c(F)n1 ZINC001203361371 1050855261 /nfs/dbraw/zinc/85/52/61/1050855261.db2.gz DIUPYRDRQVQEPC-UHFFFAOYSA-N 0 0 338.386 4.323 20 10 EICDRN C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cc(F)cc(F)c1[O-] ZINC001180112479 1050888784 /nfs/dbraw/zinc/88/87/84/1050888784.db2.gz KZGKARFXWDJGSV-UHFFFAOYSA-N 0 0 347.283 4.201 20 10 EICDRN CN(C)c1ccc(/C=C/C(=O)Nc2cc(Cl)cc(Cl)n2)cc1 ZINC001180122838 1050891940 /nfs/dbraw/zinc/89/19/40/1050891940.db2.gz HABHYCXNRUGVIK-VMPITWQZSA-N 0 0 336.222 4.106 20 10 EICDRN CN(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3cccnc3)cc2)cc1 ZINC001180128104 1050893203 /nfs/dbraw/zinc/89/32/03/1050893203.db2.gz BMVIDGCVBVZRRE-VGOFMYFVSA-N 0 0 343.430 4.467 20 10 EICDRN COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC001180185203 1050896547 /nfs/dbraw/zinc/89/65/47/1050896547.db2.gz XZSQZPWCXPCDAR-GFCCVEGCSA-N 0 0 337.822 4.256 20 10 EICDRN Cc1cc(C(=O)CSC[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC001189127037 1050912852 /nfs/dbraw/zinc/91/28/52/1050912852.db2.gz DPOKJXUBQMAXAP-KRWDZBQOSA-N 0 0 329.465 4.189 20 10 EICDRN CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2[O-])c1 ZINC001180202955 1050913375 /nfs/dbraw/zinc/91/33/75/1050913375.db2.gz FWNUZMGQFKTPHR-SFHVURJKSA-N 0 0 332.394 4.074 20 10 EICDRN C[C@@H]1c2c(F)cccc2CCN1Cc1cc(F)c(N(C)C)cc1F ZINC001180240219 1050935832 /nfs/dbraw/zinc/93/58/32/1050935832.db2.gz UTNLLQFHEXBDCO-GFCCVEGCSA-N 0 0 334.385 4.289 20 10 EICDRN CC(=O)[C@@H](C)OC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000775233611 1050951876 /nfs/dbraw/zinc/95/18/76/1050951876.db2.gz FUJOOJXOFCHDHE-CQSZACIVSA-N 0 0 339.395 4.302 20 10 EICDRN CCSc1ccccc1CSc1ncc(C(=O)OC)s1 ZINC001189407692 1050985704 /nfs/dbraw/zinc/98/57/04/1050985704.db2.gz IMHPMEKFXGPXEP-UHFFFAOYSA-N 0 0 325.480 4.334 20 10 EICDRN Nc1ccc(OC(=O)c2ccc(Nc3ccnc4[nH]ccc43)cc2)cc1 ZINC001174413511 1050988140 /nfs/dbraw/zinc/98/81/40/1050988140.db2.gz NCJGLPNYRLPPFJ-UHFFFAOYSA-N 0 0 344.374 4.060 20 10 EICDRN O=C(NCc1cccc(Cl)c1O)c1cc(-c2ccccc2)ns1 ZINC001180409589 1050992272 /nfs/dbraw/zinc/99/22/72/1050992272.db2.gz DJDRGRFQNUKORL-UHFFFAOYSA-N 0 0 344.823 4.099 20 10 EICDRN COc1ccc(C[N@H+](Cc2cc(F)cc(F)c2[O-])[C@H](C)C2CC2)cc1 ZINC001180574319 1051024949 /nfs/dbraw/zinc/02/49/49/1051024949.db2.gz SBEVSSBTUKHZFR-CYBMUJFWSA-N 0 0 347.405 4.480 20 10 EICDRN Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1Cl ZINC000775291150 1051040437 /nfs/dbraw/zinc/04/04/37/1051040437.db2.gz BNGUAKSAENYRLH-UHFFFAOYSA-N 0 0 339.844 4.080 20 10 EICDRN Cn1ccc2ccc(-n3c(N)c(/N=N/c4ccccc4)ccc3=N)cc21 ZINC001174514993 1051048420 /nfs/dbraw/zinc/04/84/20/1051048420.db2.gz MTEHYVBEODTHJS-JBUPZVEHSA-N 0 0 342.406 4.446 20 10 EICDRN COc1ccc(N(C)Cc2ccc3ccc(F)c(F)c3n2)cc1F ZINC001180760141 1051072386 /nfs/dbraw/zinc/07/23/86/1051072386.db2.gz YLWDDWDZUWASGL-UHFFFAOYSA-N 0 0 332.325 4.297 20 10 EICDRN CN(C)c1ccc(CN[C@@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183308180 1051082758 /nfs/dbraw/zinc/08/27/58/1051082758.db2.gz PBJWNDNZPGJPID-NRFANRHFSA-N 0 0 335.426 4.166 20 10 EICDRN Nc1ccc(CCc2ccc(Nc3cnc(C4CC4)nc3)cc2)cc1 ZINC001174616036 1051110399 /nfs/dbraw/zinc/11/03/99/1051110399.db2.gz RITRIYIZAVCASD-UHFFFAOYSA-N 0 0 330.435 4.465 20 10 EICDRN CN(Cc1cnc(Cl)n1C)c1ccc(OCc2ccccc2)cc1 ZINC001180936498 1051114603 /nfs/dbraw/zinc/11/46/03/1051114603.db2.gz WWJVMKFQWDCTBP-UHFFFAOYSA-N 0 0 341.842 4.289 20 10 EICDRN CCO[C@@H](C)n1cc(Nc2ccc(Cc3ccc(N)cc3)cc2)cn1 ZINC001174702719 1051138450 /nfs/dbraw/zinc/13/84/50/1051138450.db2.gz FOYGHXJNVCDGEX-HNNXBMFYSA-N 0 0 336.439 4.355 20 10 EICDRN Cc1ccc(C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)c(O)c1 ZINC001181101998 1051148198 /nfs/dbraw/zinc/14/81/98/1051148198.db2.gz HXBIVGRHKDWQEA-VQTJNVASSA-N 0 0 325.452 4.174 20 10 EICDRN O=C(c1ccncc1)c1ccccc1Nc1ccc2c(c1)CCCO2 ZINC001174721478 1051152070 /nfs/dbraw/zinc/15/20/70/1051152070.db2.gz GWKPLFFBYUOZRB-UHFFFAOYSA-N 0 0 330.387 4.381 20 10 EICDRN CC(C)Oc1ccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cn1 ZINC001174761927 1051184155 /nfs/dbraw/zinc/18/41/55/1051184155.db2.gz QISUUSGCFGNEFU-GEQPAYBISA-N 0 0 348.410 4.137 20 10 EICDRN CN(C)c1ccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc1 ZINC001174877004 1051227545 /nfs/dbraw/zinc/22/75/45/1051227545.db2.gz CMTWZKUXGWOQFJ-SMLNAYLFSA-N 0 0 332.411 4.020 20 10 EICDRN C[C@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)c1ccc(N(C)C)cc1 ZINC000775402368 1051243189 /nfs/dbraw/zinc/24/31/89/1051243189.db2.gz DKGAXBVQKMKCCX-LBPRGKRZSA-N 0 0 341.842 4.378 20 10 EICDRN CCc1nc(C(C)C)ccc1CN(C)c1ccc(OC)c(OC)c1 ZINC001190672927 1051254474 /nfs/dbraw/zinc/25/44/74/1051254474.db2.gz DZHHIINSGPMLFG-UHFFFAOYSA-N 0 0 328.456 4.421 20 10 EICDRN CN(C)c1cccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)c1 ZINC001174966953 1051278014 /nfs/dbraw/zinc/27/80/14/1051278014.db2.gz QBMGXVDPFHXJGS-UHFFFAOYSA-N 0 0 347.418 4.298 20 10 EICDRN C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(N(C)C)cc1 ZINC000775414374 1051290571 /nfs/dbraw/zinc/29/05/71/1051290571.db2.gz GDTBPAYQPSWPAE-GFCCVEGCSA-N 0 0 340.452 4.245 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C(C)(C)C)cn1 ZINC000817546240 1051315986 /nfs/dbraw/zinc/31/59/86/1051315986.db2.gz DUIQWFARSLEPSY-UHFFFAOYSA-N 0 0 326.440 4.137 20 10 EICDRN C[C@H](C(=O)N1Cc2cccc(O)c2C1)c1c(Cl)cccc1Cl ZINC001175029536 1051323633 /nfs/dbraw/zinc/32/36/33/1051323633.db2.gz 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C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774186782 1051508078 /nfs/dbraw/zinc/50/80/78/1051508078.db2.gz CWFIJZMSLJQYHX-APPDUMDISA-N 0 0 340.250 4.257 20 10 EICDRN C[S@@](=O)c1ccccc1Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001175311106 1051521481 /nfs/dbraw/zinc/52/14/81/1051521481.db2.gz IJPJKLVOBBBSMB-XMMPIXPASA-N 0 0 333.412 4.379 20 10 EICDRN Cc1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774251619 1051522340 /nfs/dbraw/zinc/52/23/40/1051522340.db2.gz SPWNDAYFDOGKNZ-HNNXBMFYSA-N 0 0 327.497 4.417 20 10 EICDRN Cc1cc(C)cc(NC(=S)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774255778 1051527782 /nfs/dbraw/zinc/52/77/82/1051527782.db2.gz KYXJDXOZBBNDGN-HNNXBMFYSA-N 0 0 327.497 4.417 20 10 EICDRN CC[C@@H]([NH2+]C[C@H]1CCCN1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483399 1051555514 /nfs/dbraw/zinc/55/55/14/1051555514.db2.gz TVZSQNNXQDHDLA-BXUZGUMPSA-N 0 0 331.287 4.224 20 10 EICDRN CCOc1ccc(N(CCCNC(=O)OC(C)(C)C)CC2CC2)cc1 ZINC001175372551 1051558723 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CCc1cc(C[NH2+][C@H](CC)c2ccc(Cl)c(Cl)c2[O-])on1 ZINC000775509110 1051649138 /nfs/dbraw/zinc/64/91/38/1051649138.db2.gz HUNHVJZBJZTWQS-CYBMUJFWSA-N 0 0 329.227 4.490 20 10 EICDRN CCCNC(=O)c1ccc(NCc2cc(Cl)c(C)cc2O)cc1 ZINC001182643578 1051667070 /nfs/dbraw/zinc/66/70/70/1051667070.db2.gz CAJKUYIZNWGLON-UHFFFAOYSA-N 0 0 332.831 4.106 20 10 EICDRN CC(C)c1cccc(N(CCO)Cc2c(O)ccc(Cl)c2F)c1 ZINC001182694613 1051676889 /nfs/dbraw/zinc/67/68/89/1051676889.db2.gz VFQKRHNYHUGRIL-UHFFFAOYSA-N 0 0 337.822 4.307 20 10 EICDRN Cc1cc(C)c2c(c1)N(Cc1c(O)cccc1Br)CCO2 ZINC001182703393 1051679024 /nfs/dbraw/zinc/67/90/24/1051679024.db2.gz HUDAVKLSWKKUJR-UHFFFAOYSA-N 0 0 348.240 4.171 20 10 EICDRN CC(C)(C)OC1CC(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000763641771 1051701489 /nfs/dbraw/zinc/70/14/89/1051701489.db2.gz JXGYVAXDHIUCLB-UHFFFAOYSA-N 0 0 329.843 4.258 20 10 EICDRN CC[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524691 1051705600 /nfs/dbraw/zinc/70/56/00/1051705600.db2.gz 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Cc1c2ccccc2oc1[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180944433 1022565758 /nfs/dbraw/zinc/56/57/58/1022565758.db2.gz WFFVEGOCPBLVDQ-FROQITRMSA-N 0 0 337.375 4.043 20 10 EICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccccn1 ZINC000181583900 1022678293 /nfs/dbraw/zinc/67/82/93/1022678293.db2.gz SGIFZVUUBCNDPB-MRXNPFEDSA-N 0 0 332.403 4.191 20 10 EICDRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000728745368 1022737204 /nfs/dbraw/zinc/73/72/04/1022737204.db2.gz VCDKFBJEEYWMCC-PMACEKPBSA-N 0 0 343.515 4.301 20 10 EICDRN COc1ccc(O)c(C[NH2+][C@H](c2ccccc2)c2ccccc2OC)c1 ZINC000182203435 1022785247 /nfs/dbraw/zinc/78/52/47/1022785247.db2.gz JFRNJTXYZUKRAS-JOCHJYFZSA-N 0 0 349.430 4.289 20 10 EICDRN CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000588403842 1022905651 /nfs/dbraw/zinc/90/56/51/1022905651.db2.gz VTGICKJIBOIALX-OZVSCIAHSA-N 0 0 331.799 4.032 20 10 EICDRN O=C(/C=C\c1ccc(O)c(O)c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000588404242 1022907382 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SRQVSKLKUYGMCW-UHFFFAOYSA-N 0 0 348.330 4.172 20 10 EICDRN CN(C)c1ccc(CNc2ncnc3cc(Cl)ccc32)cc1F ZINC000746720574 1047073646 /nfs/dbraw/zinc/07/36/46/1047073646.db2.gz AICQVVHNDCHFNU-UHFFFAOYSA-N 0 0 330.794 4.100 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131450 1047125870 /nfs/dbraw/zinc/12/58/70/1047125870.db2.gz JMVBWEBYWZXZTK-HZMBPMFUSA-N 0 0 328.243 4.025 20 10 EICDRN CC[C@H]([NH2+]CCCOCC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806131661 1047126051 /nfs/dbraw/zinc/12/60/51/1047126051.db2.gz LKTJLHCLUHVYPO-LBPRGKRZSA-N 0 0 325.758 4.055 20 10 EICDRN CC[C@@H]([NH2+]CCc1nccs1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806135732 1047131201 /nfs/dbraw/zinc/13/12/01/1047131201.db2.gz OECTWTAAFNEDHW-GFCCVEGCSA-N 0 0 331.268 4.439 20 10 EICDRN CC[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc(Cl)c1[O-] ZINC000806140061 1047135767 /nfs/dbraw/zinc/13/57/67/1047135767.db2.gz GKDLQXRNTTTYDV-CJNGLKHVSA-N 0 0 325.861 4.056 20 10 EICDRN CC[C@@H]([NH2+]C1CCN(CC)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806127842 1047147969 /nfs/dbraw/zinc/14/79/69/1047147969.db2.gz KBBSAZCMCOVDBQ-OAHLLOKOSA-N 0 0 331.287 4.224 20 10 EICDRN CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1cccc(Cl)c1[O-] ZINC000806129746 1047153316 /nfs/dbraw/zinc/15/33/16/1047153316.db2.gz JGKHLSHANIZGNZ-DOMZBBRYSA-N 0 0 348.878 4.165 20 10 EICDRN CC[C@H](Nc1cccc(C(=O)N(C)CC)c1)c1ccc(F)cc1O ZINC000806170648 1047155277 /nfs/dbraw/zinc/15/52/77/1047155277.db2.gz YEUZLCFSHKQXCT-KRWDZBQOSA-N 0 0 330.403 4.186 20 10 EICDRN CCN(C)C(=O)c1cccc(N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000806170325 1047156931 /nfs/dbraw/zinc/15/69/31/1047156931.db2.gz QQBAOICJDHUSFK-HNNXBMFYSA-N 0 0 325.456 4.018 20 10 EICDRN COc1cc(NNC(=S)Nc2ccccc2Cl)ccc1Cl ZINC000788338597 1047161779 /nfs/dbraw/zinc/16/17/79/1047161779.db2.gz QRIBSKLSJHRXQR-UHFFFAOYSA-N 0 0 342.251 4.316 20 10 EICDRN CC[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccc(F)cc1[O-] ZINC000806177013 1047162097 /nfs/dbraw/zinc/16/20/97/1047162097.db2.gz RXHBATIXPDOBOD-DLBZAZTESA-N 0 0 337.822 4.349 20 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1047182452 /nfs/dbraw/zinc/18/24/52/1047182452.db2.gz XIOLWGOUNDZHDN-KGLIPLIRSA-N 0 0 339.769 4.498 20 10 EICDRN COc1ccc(O)c([C@@H](C)Nc2cnn(CC(C)C)c2C2CC2)c1 ZINC000806180828 1047203952 /nfs/dbraw/zinc/20/39/52/1047203952.db2.gz IHXRISHXBZIMKK-CYBMUJFWSA-N 0 0 329.444 4.304 20 10 EICDRN CCNC(=O)Nc1cccc(NCc2c(O)cccc2Cl)c1C ZINC000788529964 1047227647 /nfs/dbraw/zinc/22/76/47/1047227647.db2.gz RWRHINXYXCNJCK-UHFFFAOYSA-N 0 0 333.819 4.108 20 10 EICDRN COc1ccc(O)c([C@@H](C)Nc2nccc(Oc3ccccc3)n2)c1 ZINC000788533707 1047231203 /nfs/dbraw/zinc/23/12/03/1047231203.db2.gz DISRZYDZRKSSAQ-CYBMUJFWSA-N 0 0 337.379 4.156 20 10 EICDRN C[C@@H](c1cccs1)N(C)C(=O)NCCCSc1nccs1 ZINC000154594956 1047257486 /nfs/dbraw/zinc/25/74/86/1047257486.db2.gz ZTXDYPISVLJUDU-NSHDSACASA-N 0 0 341.527 4.089 20 10 EICDRN Cc1cc(C)c([C@@H](C)Nc2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000788691688 1047261735 /nfs/dbraw/zinc/26/17/35/1047261735.db2.gz OBXSSPXSBTYZEN-MRXNPFEDSA-N 0 0 326.440 4.019 20 10 EICDRN Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000788670117 1047267898 /nfs/dbraw/zinc/26/78/98/1047267898.db2.gz RQUCEJCZFOGYES-BLLLJJGKSA-N 0 0 339.357 4.104 20 10 EICDRN CC(C)C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccs1 ZINC000917999856 1047269283 /nfs/dbraw/zinc/26/92/83/1047269283.db2.gz LTWNPXNETRWAMY-KRWDZBQOSA-N 0 0 345.512 4.401 20 10 EICDRN C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000788672885 1047270033 /nfs/dbraw/zinc/27/00/33/1047270033.db2.gz SSVZDGDXWCQIEN-XEZPLFJOSA-N 0 0 345.405 4.393 20 10 EICDRN CC1(C)CN(C(=O)/C=C/c2cnc3ccccc3n2)c2cc(F)ccc21 ZINC001130663910 1047279697 /nfs/dbraw/zinc/27/96/97/1047279697.db2.gz XLEYZYSEIGPERC-CSKARUKUSA-N 0 0 347.393 4.107 20 10 EICDRN O=C(NCCCSc1nccs1)N1CCC[C@H]1c1ccccc1 ZINC000154618667 1047283318 /nfs/dbraw/zinc/28/33/18/1047283318.db2.gz HPHODQMNVPETLP-HNNXBMFYSA-N 0 0 347.509 4.172 20 10 EICDRN COc1cnccc1[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788756177 1047288467 /nfs/dbraw/zinc/28/84/67/1047288467.db2.gz HRVJYPBYDZFGAP-WDEREUQCSA-N 0 0 340.345 4.226 20 10 EICDRN CC[C@H]1CCCC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918074923 1047306790 /nfs/dbraw/zinc/30/67/90/1047306790.db2.gz QVZRKKXCUZPLJP-FXAWDEMLSA-N 0 0 343.515 4.395 20 10 EICDRN Cc1cc(C)c([C@@H](C)Nc2cc(N3CCOCC3)ccc2C)c(O)c1 ZINC000788802821 1047308189 /nfs/dbraw/zinc/30/81/89/1047308189.db2.gz QIAPCTCJCVVLNY-QGZVFWFLSA-N 0 0 340.467 4.327 20 10 EICDRN CCO[C@@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000760321707 1047317599 /nfs/dbraw/zinc/31/75/99/1047317599.db2.gz SSMGMPNTVFSZSF-FQEVSTJZSA-N 0 0 346.515 4.087 20 10 EICDRN CCOCc1cc(CNCC(F)(F)c2ccccc2)ccc1OC ZINC000788969098 1047337385 /nfs/dbraw/zinc/33/73/85/1047337385.db2.gz GPAWRJQVUJQRNZ-UHFFFAOYSA-N 0 0 335.394 4.113 20 10 EICDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(F)cc1Cl ZINC001130719632 1047349922 /nfs/dbraw/zinc/34/99/22/1047349922.db2.gz CCACPLWSMYWIFC-CLTKARDFSA-N 0 0 325.170 4.204 20 10 EICDRN 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Cc1cc(CN(C)Cc2ccc3c(c2)CCN3Cc2ccccc2)no1 ZINC000809547687 1048410733 /nfs/dbraw/zinc/41/07/33/1048410733.db2.gz UCZUSTRTTBRAHW-UHFFFAOYSA-N 0 0 347.462 4.178 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2OCc3ccccc32)cc1 ZINC001134974284 1048411958 /nfs/dbraw/zinc/41/19/58/1048411958.db2.gz DTQJOBYGRYFMSH-OAQYLSRUSA-N 0 0 346.430 4.095 20 10 EICDRN COc1cc(N(C)C/C=C\c2ccc(F)c(F)c2)cc(OC)c1OC ZINC000809635211 1048446868 /nfs/dbraw/zinc/44/68/68/1048446868.db2.gz FIQVLRNJHKXSTE-WAYWQWQTSA-N 0 0 349.377 4.140 20 10 EICDRN C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cccc(C(F)(F)F)c1[O-] ZINC000815576283 1048516664 /nfs/dbraw/zinc/51/66/64/1048516664.db2.gz NNSQXEHOCZWWJY-BMIGLBTASA-N 0 0 337.341 4.455 20 10 EICDRN C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000815585333 1048523548 /nfs/dbraw/zinc/52/35/48/1048523548.db2.gz DVKZQPOORLKATP-PJODQICGSA-N 0 0 331.378 4.003 20 10 EICDRN C[C@H]([NH2+]CCSCC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815600298 1048532024 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CC[C@@H](Nc1ccc(F)c(NC(N)=O)c1)c1cc(Cl)ccc1O ZINC000815632500 1048554761 /nfs/dbraw/zinc/55/47/61/1048554761.db2.gz OSEKTAYDKXUIGJ-CYBMUJFWSA-N 0 0 337.782 4.239 20 10 EICDRN COCC1(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CCC1 ZINC000815641890 1048568017 /nfs/dbraw/zinc/56/80/17/1048568017.db2.gz LDOLPHBTXFHHAJ-GFCCVEGCSA-N 0 0 331.378 4.268 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1cc[nH]c(=O)c1 ZINC000815642826 1048568618 /nfs/dbraw/zinc/56/86/18/1048568618.db2.gz MYMXQXVHSAIUEH-BDAKNGLRSA-N 0 0 327.211 4.211 20 10 EICDRN CCOC(=O)c1c(C)onc1CSc1ncc(C(C)(C)C)s1 ZINC000809960043 1048585423 /nfs/dbraw/zinc/58/54/23/1048585423.db2.gz SBXCIIYVYQAKJS-UHFFFAOYSA-N 0 0 340.470 4.206 20 10 EICDRN Cc1cc(Cl)nc(NCc2cc(Br)ccc2O)c1 ZINC001171168546 1048613962 /nfs/dbraw/zinc/61/39/62/1048613962.db2.gz UVKRGOSSMZMTHK-UHFFFAOYSA-N 0 0 327.609 4.124 20 10 EICDRN Cc1[nH]c2ncc(NCc3cc(Br)ccc3O)cc2c1C ZINC001171177599 1048648738 /nfs/dbraw/zinc/64/87/38/1048648738.db2.gz 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Cc1cc(C(=O)Nc2cccc(N(C)C)c2C)c(C)n1-c1ccccn1 ZINC000182969402 1050919231 /nfs/dbraw/zinc/91/92/31/1050919231.db2.gz MRGMESNOBRTQKE-UHFFFAOYSA-N 0 0 348.450 4.116 20 10 EICDRN COc1ccc(N(Cc2ccccc2)Cc2ccc(OC)cn2)cc1 ZINC001180296323 1050958818 /nfs/dbraw/zinc/95/88/18/1050958818.db2.gz GIOPCHUIMXHHJM-UHFFFAOYSA-N 0 0 334.419 4.306 20 10 EICDRN CC/C(=C/C(=O)NCc1cccc(Cl)c1O)c1ccc(C)cc1 ZINC001180410161 1050992672 /nfs/dbraw/zinc/99/26/72/1050992672.db2.gz KVHDNFMLDWARIQ-KAMYIIQDSA-N 0 0 329.827 4.464 20 10 EICDRN CC(C)(O)c1cncc(N(Cc2ccccc2)c2ccc(N)cc2)c1 ZINC001174594286 1051075949 /nfs/dbraw/zinc/07/59/49/1051075949.db2.gz ZIROZPXMWSSYNH-UHFFFAOYSA-N 0 0 333.435 4.230 20 10 EICDRN Cc1cc(O)ccc1Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001174563907 1051084223 /nfs/dbraw/zinc/08/42/23/1051084223.db2.gz IPVAYXVHKWWDLX-UHFFFAOYSA-N 0 0 334.375 4.246 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1CN1CCc2cc(Cl)ccc2C1 ZINC001180848560 1051092561 /nfs/dbraw/zinc/09/25/61/1051092561.db2.gz NELHIDZEEMESFN-UHFFFAOYSA-N 0 0 326.198 4.396 20 10 EICDRN CCC[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000773885221 1051116649 /nfs/dbraw/zinc/11/66/49/1051116649.db2.gz QIRXPGZDXQLXON-LJQANCHMSA-N 0 0 339.483 4.080 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(SC)c2C)c1 ZINC000775401826 1051238273 /nfs/dbraw/zinc/23/82/73/1051238273.db2.gz SVCSHYDNYZBKMP-GFCCVEGCSA-N 0 0 346.452 4.314 20 10 EICDRN C[C@@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)c1ccc(N(C)C)cc1 ZINC000775402367 1051242782 /nfs/dbraw/zinc/24/27/82/1051242782.db2.gz DKGAXBVQKMKCCX-GFCCVEGCSA-N 0 0 341.842 4.378 20 10 EICDRN Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775407296 1051262940 /nfs/dbraw/zinc/26/29/40/1051262940.db2.gz RPMNOBCZZBMKBF-AWEZNQCLSA-N 0 0 349.434 4.207 20 10 EICDRN CSCCCCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773443144 1051318049 /nfs/dbraw/zinc/31/80/49/1051318049.db2.gz UWEBGMLJGMHNQJ-HNNXBMFYSA-N 0 0 337.533 4.036 20 10 EICDRN CCC1(CC)C[C@@H]1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001181877104 1051337738 /nfs/dbraw/zinc/33/77/38/1051337738.db2.gz BVRYBHGYXMWVHP-QOJYEVKVSA-N 0 0 337.427 4.432 20 10 EICDRN CCC1(CC)C[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001181886930 1051342971 /nfs/dbraw/zinc/34/29/71/1051342971.db2.gz FSZREBKUKYYSQL-CYBMUJFWSA-N 0 0 332.831 4.036 20 10 EICDRN CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775432750 1051345700 /nfs/dbraw/zinc/34/57/00/1051345700.db2.gz LLZZXNMYHNILIG-AWEZNQCLSA-N 0 0 327.428 4.034 20 10 EICDRN COc1ccc2c(c1)CCCCN2Cc1ccc(-c2cnn(C)c2)cc1 ZINC001182160276 1051409130 /nfs/dbraw/zinc/40/91/30/1051409130.db2.gz FSZRSCBYZSSOND-UHFFFAOYSA-N 0 0 347.462 4.439 20 10 EICDRN C[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000773990051 1051417150 /nfs/dbraw/zinc/41/71/50/1051417150.db2.gz RXPUKANFJNZTSI-INIZCTEOSA-N 0 0 348.446 4.162 20 10 EICDRN CC(=O)c1ccccc1Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001175180805 1051432684 /nfs/dbraw/zinc/43/26/84/1051432684.db2.gz BDCQVLJALKTLTI-UHFFFAOYSA-N 0 0 346.386 4.434 20 10 EICDRN Cc1cc(C)c(CNC(=O)C2(c3cccc(Cl)c3)CCC2)c(O)c1 ZINC001182255809 1051445521 /nfs/dbraw/zinc/44/55/21/1051445521.db2.gz FTDLYHLWEJLPOP-UHFFFAOYSA-N 0 0 343.854 4.401 20 10 EICDRN CC(C)n1ccc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000774203208 1051499080 /nfs/dbraw/zinc/49/90/80/1051499080.db2.gz STYCHZLKQZKNDD-JTQLQIEISA-N 0 0 328.243 4.327 20 10 EICDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774186783 1051507492 /nfs/dbraw/zinc/50/74/92/1051507492.db2.gz CWFIJZMSLJQYHX-DIFFPNOSSA-N 0 0 340.250 4.257 20 10 EICDRN FC(F)(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CCC2(CCC2)O1 ZINC001191723208 1051519203 /nfs/dbraw/zinc/51/92/03/1051519203.db2.gz NSMWSTIBFCIBKQ-HNNXBMFYSA-N 0 0 341.373 4.440 20 10 EICDRN CCOc1ccc(N(CC[S@](=O)c2ccccc2)CC2CC2)cc1 ZINC001175372711 1051558202 /nfs/dbraw/zinc/55/82/02/1051558202.db2.gz YJMASHLAWPHZGC-DEOSSOPVSA-N 0 0 343.492 4.110 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)c1ccccc1C ZINC001182463906 1051597007 /nfs/dbraw/zinc/59/70/07/1051597007.db2.gz OTTDGZVXUVOKFG-UHFFFAOYSA-N 0 0 338.495 4.387 20 10 EICDRN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2cccs2)no1 ZINC000774480486 1051610620 /nfs/dbraw/zinc/61/06/20/1051610620.db2.gz CFMRRNKYRGUGRM-STQMWFEESA-N 0 0 342.468 4.276 20 10 EICDRN CC[C@H]([NH2+][C@H](C)Cc1cnccn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775497389 1051620029 /nfs/dbraw/zinc/62/00/29/1051620029.db2.gz PQTFPSYJOYJYHP-YGRLFVJLSA-N 0 0 340.254 4.161 20 10 EICDRN CCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775521084 1051679168 /nfs/dbraw/zinc/67/91/68/1051679168.db2.gz PYKMUTUFVYSJHM-ZDUSSCGKSA-N 0 0 345.418 4.173 20 10 EICDRN CC[C@H]([NH2+]CCCc1nc(C)no1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775518919 1051683521 /nfs/dbraw/zinc/68/35/21/1051683521.db2.gz IPCJWSUKMIYLAY-LBPRGKRZSA-N 0 0 344.242 4.064 20 10 EICDRN CC[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524951 1051705622 /nfs/dbraw/zinc/70/56/22/1051705622.db2.gz XEGXOFBMTVISDM-LBPRGKRZSA-N 0 0 329.202 4.474 20 10 EICDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000211101819 1051731132 /nfs/dbraw/zinc/73/11/32/1051731132.db2.gz BNNLFSXLHZKQBJ-JLHYYAGUSA-N 0 0 340.370 4.162 20 10 EICDRN CCc1noc(CNc2ccc(Cl)cc2C(=O)c2ccccc2)n1 ZINC000071833333 1051761283 /nfs/dbraw/zinc/76/12/83/1051761283.db2.gz KPYQRQRAEDERPR-UHFFFAOYSA-N 0 0 341.798 4.129 20 10 EICDRN CCOc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775541984 1051792667 /nfs/dbraw/zinc/79/26/67/1051792667.db2.gz IZGMFMWZCJZLAT-CYBMUJFWSA-N 0 0 345.418 4.173 20 10 EICDRN Oc1cc(Br)ccc1CN[C@@H](CF)c1ccc(F)cc1 ZINC001183427934 1051841494 /nfs/dbraw/zinc/84/14/94/1051841494.db2.gz DJSFORAPEXROJV-AWEZNQCLSA-N 0 0 342.183 4.094 20 10 EICDRN Oc1cccc2c1CN(Cc1ccc(Cl)c(Br)c1)C2 ZINC001183455384 1051846505 /nfs/dbraw/zinc/84/65/05/1051846505.db2.gz STPIMVLHLVMFCI-UHFFFAOYSA-N 0 0 338.632 4.324 20 10 EICDRN Cc1ccc(CN2Cc3cccc(O)c3C2)c(C)c1Br ZINC001183454770 1051847257 /nfs/dbraw/zinc/84/72/57/1051847257.db2.gz NNMBMUWBKAHROD-UHFFFAOYSA-N 0 0 332.241 4.287 20 10 EICDRN COc1ccc(N2CCC(Nc3ccc(Cl)cc3OC)CC2)cc1 ZINC000775576794 1051872594 /nfs/dbraw/zinc/87/25/94/1051872594.db2.gz AICXSCHRZZQGLH-UHFFFAOYSA-N 0 0 346.858 4.438 20 10 EICDRN Cc1ccc(OC(C)C)cc1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193228931 1051893187 /nfs/dbraw/zinc/89/31/87/1051893187.db2.gz AWNGBLBXGKKKCA-UHFFFAOYSA-N 0 0 335.787 4.099 20 10 EICDRN Cc1cc(C(=O)Nc2cnc(C)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC001176063564 1051899863 /nfs/dbraw/zinc/89/98/63/1051899863.db2.gz GNPBMYMBDSBWIN-UHFFFAOYSA-N 0 0 337.398 4.497 20 10 EICDRN Cc1c[nH]c(C)c1C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001193369319 1051911787 /nfs/dbraw/zinc/91/17/87/1051911787.db2.gz UWROAMNZXNHQFC-SFHVURJKSA-N 0 0 326.440 4.007 20 10 EICDRN CCc1oc(C(=O)OC)cc1CN(C)c1ccc(OC(C)C)cc1 ZINC001193385478 1051914657 /nfs/dbraw/zinc/91/46/57/1051914657.db2.gz WJBUUOUREZHWAO-UHFFFAOYSA-N 0 0 331.412 4.052 20 10 EICDRN CSCc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775597080 1051920320 /nfs/dbraw/zinc/92/03/20/1051920320.db2.gz QGLZJIQOGRCGQO-AWEZNQCLSA-N 0 0 343.496 4.498 20 10 EICDRN COCCOC(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001193413968 1051923828 /nfs/dbraw/zinc/92/38/28/1051923828.db2.gz ZCXSQQUCPUDKOA-SNAWJCMRSA-N 0 0 340.423 4.118 20 10 EICDRN CC(C)(C)OC(=O)Nc1cccc(C[NH2+]Cc2c([O-])cccc2F)c1 ZINC001183919428 1051928383 /nfs/dbraw/zinc/92/83/83/1051928383.db2.gz JVINSBXCCPLKQN-UHFFFAOYSA-N 0 0 346.402 4.168 20 10 EICDRN C[C@H]1CCC[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001184512496 1052035432 /nfs/dbraw/zinc/03/54/32/1052035432.db2.gz NZRGBRPDSRCHHA-NWDGAFQWSA-N 0 0 332.831 4.036 20 10 EICDRN Cc1ccccc1-c1nsc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001184625090 1052060436 /nfs/dbraw/zinc/06/04/36/1052060436.db2.gz MGZSIASXMGGQJL-UHFFFAOYSA-N 0 0 338.480 4.216 20 10 EICDRN CCOc1ccc(O)c(CNc2cnn(CC(C)C)c2C(C)C)c1 ZINC000774826550 1052162276 /nfs/dbraw/zinc/16/22/76/1052162276.db2.gz KMPLWUSRUBJAAV-UHFFFAOYSA-N 0 0 331.460 4.379 20 10 EICDRN Cc1nc2sc3c(c2c(NCc2ccccc2O)n1)CC[C@@H](C)C3 ZINC001185098360 1052166250 /nfs/dbraw/zinc/16/62/50/1052166250.db2.gz LKTDOAOCFCTAJJ-LLVKDONJSA-N 0 0 339.464 4.442 20 10 EICDRN COc1c([O-])c(C[N@H+](Cc2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774821778 1052170994 /nfs/dbraw/zinc/17/09/94/1052170994.db2.gz SNSSFZLKTDZGAD-UHFFFAOYSA-N 0 0 344.411 4.110 20 10 EICDRN CC1(C)CC[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001185174012 1052186666 /nfs/dbraw/zinc/18/66/66/1052186666.db2.gz GMWKGDWCNKXQTI-LLVKDONJSA-N 0 0 332.831 4.036 20 10 EICDRN O=C(Cc1ccc(C2CCCCC2)cc1)NCc1cc(O)ccc1O ZINC001176754765 1052191599 /nfs/dbraw/zinc/19/15/99/1052191599.db2.gz GYBJEFVBQMGSBO-UHFFFAOYSA-N 0 0 339.435 4.004 20 10 EICDRN O=C(NCc1cc2ccccc2cc1O)Nc1ccc(F)c(F)c1F ZINC001185351809 1052218807 /nfs/dbraw/zinc/21/88/07/1052218807.db2.gz NPFBRJYXJFLDJP-UHFFFAOYSA-N 0 0 346.308 4.284 20 10 EICDRN Cc1cc(C(=O)Nc2ccc3c(n2)CCCC3)c(C)n1-c1ccccn1 ZINC001177105166 1052229795 /nfs/dbraw/zinc/22/97/95/1052229795.db2.gz GYZOWDJZFVKZTD-UHFFFAOYSA-N 0 0 346.434 4.015 20 10 EICDRN COC(=O)/C=C/c1ccc(N(C)C2CCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC001185701593 1052284340 /nfs/dbraw/zinc/28/43/40/1052284340.db2.gz KQNXUJUOBKKGSL-SOFGYWHQSA-N 0 0 346.427 4.186 20 10 EICDRN CC[C@@H]1CCCC[C@H]1N(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001185746938 1052292023 /nfs/dbraw/zinc/29/20/23/1052292023.db2.gz WVMMWAIZHDIZIW-NLNHSMHESA-N 0 0 346.427 4.186 20 10 EICDRN CC(C)[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000184896401 1052297091 /nfs/dbraw/zinc/29/70/91/1052297091.db2.gz GPQRLCBKMNZICI-ZUOKHONESA-N 0 0 345.414 4.350 20 10 EICDRN C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000184919571 1052309569 /nfs/dbraw/zinc/30/95/69/1052309569.db2.gz UCOCRDSCEWZQEU-KXBFYZLASA-N 0 0 328.431 4.019 20 10 EICDRN C[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccc(F)cc1[O-] ZINC000185010267 1052360935 /nfs/dbraw/zinc/36/09/35/1052360935.db2.gz UNZBLYAVLXNWAO-CYBMUJFWSA-N 0 0 330.403 4.099 20 10 EICDRN Cc1cc(C(=O)N[C@@H]2CCC(F)(F)C2)c(C)n1-c1ccc(F)cc1 ZINC000763863044 1052614348 /nfs/dbraw/zinc/61/43/48/1052614348.db2.gz GQTASEFZFRAOHH-CQSZACIVSA-N 0 0 336.357 4.151 20 10 EICDRN CC(C)Oc1ccc(NCc2cc(Cl)c3cccnc3c2O)nc1 ZINC001168528633 1052629016 /nfs/dbraw/zinc/62/90/16/1052629016.db2.gz XDIVGOJQPSHJKX-UHFFFAOYSA-N 0 0 343.814 4.388 20 10 EICDRN Cc1ccc(O)c([C@@H](C)N[C@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000185666665 1052672380 /nfs/dbraw/zinc/67/23/80/1052672380.db2.gz UJXKLCNXNPKBGN-HUUCEWRRSA-N 0 0 337.423 4.086 20 10 EICDRN CC[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000764020064 1052907031 /nfs/dbraw/zinc/90/70/31/1052907031.db2.gz UCWOODMMJJKETI-HXUWFJFHSA-N 0 0 342.458 4.434 20 10 EICDRN COc1ccsc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000764412139 1053088429 /nfs/dbraw/zinc/08/84/29/1053088429.db2.gz DELHMDGZYGHYCH-LCYFTJDESA-N 0 0 339.507 4.291 20 10 EICDRN CCC[N@H+](Cc1nc2ccc(OC)cc2s1)Cc1ccccc1O ZINC000775610559 1053115052 /nfs/dbraw/zinc/11/50/52/1053115052.db2.gz QNZRRKLOWJFGHC-UHFFFAOYSA-N 0 0 342.464 4.423 20 10 EICDRN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1cscn1 ZINC000850360112 1053131302 /nfs/dbraw/zinc/13/13/02/1053131302.db2.gz ZVNSPOYVFCNUPM-SNVBAGLBSA-N 0 0 329.391 4.079 20 10 EICDRN CCOc1ccc(N(C)Cc2ccc(C(=O)OC)c(Cl)c2)cc1 ZINC000864012294 1053136883 /nfs/dbraw/zinc/13/68/83/1053136883.db2.gz CTSZBTNKLSEFGL-UHFFFAOYSA-N 0 0 333.815 4.162 20 10 EICDRN Oc1c(CNc2nc3cccc(F)c3s2)ccc2cccnc21 ZINC000864019466 1053148757 /nfs/dbraw/zinc/14/87/57/1053148757.db2.gz CSPLOZKLQYYEGU-UHFFFAOYSA-N 0 0 325.368 4.301 20 10 EICDRN Cc1ccc(O)c([C@@H](C)Nc2ccc([C@@H](O)C(F)(F)F)cc2)c1 ZINC000864021144 1053151735 /nfs/dbraw/zinc/15/17/35/1053151735.db2.gz HYPYUCFNVRWFPL-BDJLRTHQSA-N 0 0 325.330 4.469 20 10 EICDRN Cc1ccc(O)c([C@@H](C)Nc2ccc([C@H](O)C(F)(F)F)cc2)c1 ZINC000864021145 1053154056 /nfs/dbraw/zinc/15/40/56/1053154056.db2.gz HYPYUCFNVRWFPL-BZNIZROVSA-N 0 0 325.330 4.469 20 10 EICDRN Oc1ccc(-c2ccccc2)cc1CNc1cccc(-n2nccn2)c1 ZINC000864044056 1053183345 /nfs/dbraw/zinc/18/33/45/1053183345.db2.gz 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ZINC000376834840 1023324176 /nfs/dbraw/zinc/32/41/76/1023324176.db2.gz PVGVKWHCZAKZAA-KRWDZBQOSA-N 0 0 341.842 4.472 20 10 EICDRN COc1cc(-c2ccccc2)ccc1/C=C1/SC(=S)N(C)C1=O ZINC000588417517 1023411718 /nfs/dbraw/zinc/41/17/18/1023411718.db2.gz TVZFMQXRQIFQOF-LFIBNONCSA-N 0 0 341.457 4.193 20 10 EICDRN CCn1cc(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000255359045 1023595014 /nfs/dbraw/zinc/59/50/14/1023595014.db2.gz YVVYPXOVPMKKHK-UHFFFAOYSA-N 0 0 347.378 4.140 20 10 EICDRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c(Cl)c1C ZINC000783036683 1023610083 /nfs/dbraw/zinc/61/00/83/1023610083.db2.gz AAIUFGGPHUGZAG-UHFFFAOYSA-N 0 0 342.870 4.487 20 10 EICDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)CCc1ccccc1 ZINC000019678824 1023626233 /nfs/dbraw/zinc/62/62/33/1023626233.db2.gz ZCMIAJLNGSDCSX-OAHLLOKOSA-N 0 0 347.418 4.002 20 10 EICDRN FC(F)(F)c1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)ccn1 ZINC000341372855 1023629238 /nfs/dbraw/zinc/62/92/38/1023629238.db2.gz WTDRCWCHMCYUNP-UHFFFAOYSA-N 0 0 344.340 4.270 20 10 EICDRN CC[C@H](c1ccccc1O)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000377615233 1023633242 /nfs/dbraw/zinc/63/32/42/1023633242.db2.gz LHDJAQHDANKKKG-CVEARBPZSA-N 0 0 327.428 4.331 20 10 EICDRN Cc1cc(C)c(/C=C\C(=O)NCc2ccc(N(C)C)c(F)c2)cc1C ZINC001125534283 1023692756 /nfs/dbraw/zinc/69/27/56/1023692756.db2.gz GFFSODGDVRJROE-CLFYSBASSA-N 0 0 340.442 4.147 20 10 EICDRN Cc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1Cl ZINC000193742637 1023719284 /nfs/dbraw/zinc/71/92/84/1023719284.db2.gz YVRJMSOGJWAAHF-RIYZIHGNSA-N 0 0 346.864 4.449 20 10 EICDRN CN(C)c1ccc(CNC(=O)c2ccc(-c3ccccc3)o2)cc1F ZINC001125535551 1023752445 /nfs/dbraw/zinc/75/24/45/1023752445.db2.gz XECXWXIAJADAGW-UHFFFAOYSA-N 0 0 338.382 4.082 20 10 EICDRN O=C(/C=C\c1ccc(Cl)nc1)N(CC(F)(F)F)c1ccccc1 ZINC000759865751 1023754844 /nfs/dbraw/zinc/75/48/44/1023754844.db2.gz CKTUKFMAHRMXDB-CLFYSBASSA-N 0 0 340.732 4.344 20 10 EICDRN CC[C@@H](C)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001125535592 1023756865 /nfs/dbraw/zinc/75/68/65/1023756865.db2.gz YAXBWFGYYPGPFW-CQSZACIVSA-N 0 0 328.431 4.335 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000377799464 1023762833 /nfs/dbraw/zinc/76/28/33/1023762833.db2.gz VCPRFKRESMCZTH-MFKMUULPSA-N 0 0 340.254 4.020 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(F)c(C)c2)cc1 ZINC000728802637 1023809416 /nfs/dbraw/zinc/80/94/16/1023809416.db2.gz BGWPLTRYHSWQRH-UHFFFAOYSA-N 0 0 328.431 4.253 20 10 EICDRN C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756733476 1024211277 /nfs/dbraw/zinc/21/12/77/1024211277.db2.gz RVFMGLOWIDBTDN-QMTHXVAHSA-N 0 0 332.271 4.291 20 10 EICDRN C[C@@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1cc(F)cc(F)c1[O-] ZINC000756759802 1024439367 /nfs/dbraw/zinc/43/93/67/1024439367.db2.gz ZFIVCLYJUKJXPI-XLKFXECMSA-N 0 0 325.742 4.108 20 10 EICDRN CCC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000728400496 1024466537 /nfs/dbraw/zinc/46/65/37/1024466537.db2.gz NZDVYMWFQCQZOK-IEBWSBKVSA-N 0 0 331.504 4.253 20 10 EICDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1coc2ccccc12 ZINC000471917424 1024496852 /nfs/dbraw/zinc/49/68/52/1024496852.db2.gz YWGDBDMIPTWFRQ-UHFFFAOYSA-N 0 0 347.418 4.232 20 10 EICDRN Cc1ccc2c(C3=CCN(c4ccnc5c4cnn5C)CC3)c[nH]c2c1 ZINC000341725244 1024511028 /nfs/dbraw/zinc/51/10/28/1024511028.db2.gz XWTJFYLZUFQRGV-UHFFFAOYSA-N 0 0 343.434 4.052 20 10 EICDRN CCCCn1ncc(NCc2ccc(OC)c(OC)c2O)c1C(C)C ZINC000893997599 1033228076 /nfs/dbraw/zinc/22/80/76/1033228076.db2.gz OQOUTBUJSKXVEN-UHFFFAOYSA-N 0 0 347.459 4.142 20 10 EICDRN CCCN(CCC)c1ccc(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000276977228 1024855869 /nfs/dbraw/zinc/85/58/69/1024855869.db2.gz HSFQJGANQGZNQS-UAPYVXQJSA-N 0 0 346.515 4.294 20 10 EICDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC2CCCC2)cc1 ZINC000728840057 1024889208 /nfs/dbraw/zinc/88/92/08/1024889208.db2.gz ZDLIWYVBAOBRPR-UHFFFAOYSA-N 0 0 342.405 4.224 20 10 EICDRN CCOC(CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])OCC ZINC000278863298 1025051103 /nfs/dbraw/zinc/05/11/03/1025051103.db2.gz WMXUNIKIJFVLMK-JTQLQIEISA-N 0 0 336.259 4.139 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000156730688 1025569398 /nfs/dbraw/zinc/56/93/98/1025569398.db2.gz BWLYXKXUSGCRBG-AWEZNQCLSA-N 0 0 342.443 4.004 20 10 EICDRN CC[C@H](C)c1nc([C@H](C)N[C@@H](CC)c2ccc(N(C)C)cc2)n[nH]1 ZINC000277358386 1025801019 /nfs/dbraw/zinc/80/10/19/1025801019.db2.gz WFKGMQPGKQODRC-ZQIUZPCESA-N 0 0 329.492 4.186 20 10 EICDRN CCN(CCNC(=S)Nc1ccccc1Cl)c1cccc(C)c1 ZINC000018144209 1025804448 /nfs/dbraw/zinc/80/44/48/1025804448.db2.gz GJXPCHKRJCNCCW-UHFFFAOYSA-N 0 0 347.915 4.461 20 10 EICDRN COc1ccc(O)c(CNc2ccc(Cl)c(Br)c2)c1 ZINC000094668449 1026039096 /nfs/dbraw/zinc/03/90/96/1026039096.db2.gz QQKJGDAXSWQZDE-UHFFFAOYSA-N 0 0 342.620 4.429 20 10 EICDRN CCCN(Cc1ncc(Br)s1)Cc1ccccc1O ZINC000783443926 1026197229 /nfs/dbraw/zinc/19/72/29/1026197229.db2.gz CBIOSJBMTWJNPB-UHFFFAOYSA-N 0 0 341.274 4.023 20 10 EICDRN CN(C)c1ccc(CNC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000018215204 1026216054 /nfs/dbraw/zinc/21/60/54/1026216054.db2.gz ITNDSHPTYKELSS-UHFFFAOYSA-N 0 0 328.481 4.013 20 10 EICDRN CCSCc1ccc(NCc2ccc(OC)c(OC)c2O)cc1 ZINC000894750569 1026403907 /nfs/dbraw/zinc/40/39/07/1026403907.db2.gz JUMNLYZPERZPAU-UHFFFAOYSA-N 0 0 333.453 4.275 20 10 EICDRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(F)nc2)SC1=S ZINC000588523323 1026700685 /nfs/dbraw/zinc/70/06/85/1026700685.db2.gz OKEWYBXGVOJQNY-ZECSTPGPSA-N 0 0 344.436 4.183 20 10 EICDRN Cc1cc(C)c(NC(=O)CN(C)Cc2cc(Cl)ccc2O)c(C)c1 ZINC000158427339 1026736486 /nfs/dbraw/zinc/73/64/86/1026736486.db2.gz ZGABAAYFTXADBK-UHFFFAOYSA-N 0 0 346.858 4.041 20 10 EICDRN O=C(/C=C\c1ccc(Cl)nc1)N1CC2(CCC2)c2c1cccc2F ZINC001125604411 1026782322 /nfs/dbraw/zinc/78/23/22/1026782322.db2.gz JMJYSHWPFCXIJO-VURMDHGXSA-N 0 0 342.801 4.356 20 10 EICDRN CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708074828 1026840032 /nfs/dbraw/zinc/84/00/32/1026840032.db2.gz HHPYUINAAGQLAX-JOYOIKCWSA-N 0 0 332.669 4.429 20 10 EICDRN CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708074829 1026840575 /nfs/dbraw/zinc/84/05/75/1026840575.db2.gz HHPYUINAAGQLAX-SKDRFNHKSA-N 0 0 332.669 4.429 20 10 EICDRN COc1ccc(CNc2ccc(COC(C)(C)C)cc2)c(O)c1OC ZINC000892295550 1027121065 /nfs/dbraw/zinc/12/10/65/1027121065.db2.gz MEPOWWXQCRAWRC-UHFFFAOYSA-N 0 0 345.439 4.337 20 10 EICDRN C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708110881 1027168692 /nfs/dbraw/zinc/16/86/92/1027168692.db2.gz JEPICXBARLJQED-OTCDBFHCSA-N 0 0 332.669 4.476 20 10 EICDRN CCc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)nc(-c2ccncc2)n1 ZINC000302411187 1027307039 /nfs/dbraw/zinc/30/70/39/1027307039.db2.gz MRBWYGOKMYYULA-HNNXBMFYSA-N 0 0 347.466 4.340 20 10 EICDRN Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(F)c1 ZINC000327143602 1027344955 /nfs/dbraw/zinc/34/49/55/1027344955.db2.gz IIDXJLOIRIGUTC-UHFFFAOYSA-N 0 0 340.442 4.397 20 10 EICDRN CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708132608 1027403907 /nfs/dbraw/zinc/40/39/07/1027403907.db2.gz FFGZREGSNNTZGP-SNVBAGLBSA-N 0 0 332.669 4.430 20 10 EICDRN C[C@H]1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@H]1CO ZINC000588554373 1027464753 /nfs/dbraw/zinc/46/47/53/1027464753.db2.gz WEVNRQSYSXVEND-KSSFIOAISA-N 0 0 338.411 4.337 20 10 EICDRN Cc1cnccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000120359133 1027496534 /nfs/dbraw/zinc/49/65/34/1027496534.db2.gz SHDMGJMJRKXGOC-UHFFFAOYSA-N 0 0 338.455 4.044 20 10 EICDRN C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)c(Cl)c1 ZINC000759581007 1027547345 /nfs/dbraw/zinc/54/73/45/1027547345.db2.gz SFJGRJUPAPCQGT-WXGCRTCVSA-N 0 0 336.746 4.208 20 10 EICDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@]12C[C@H]1CCCC2 ZINC000708146727 1027604286 /nfs/dbraw/zinc/60/42/86/1027604286.db2.gz RZLJKTBKKWAMSZ-QMTHXVAHSA-N 0 0 330.653 4.230 20 10 EICDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)CC(C)(C)C)c1 ZINC001141904510 1027741264 /nfs/dbraw/zinc/74/12/64/1027741264.db2.gz SXRRMKWKZBIJFK-CQSZACIVSA-N 0 0 340.467 4.461 20 10 EICDRN CC[C@H](Nc1cc(N2CCOCC2)ccc1C)c1ccccc1O ZINC000281125940 1028401618 /nfs/dbraw/zinc/40/16/18/1028401618.db2.gz MYZDHUVMIKXJMW-SFHVURJKSA-N 0 0 326.440 4.100 20 10 EICDRN CC[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(F)cc1[O-] ZINC000796664377 1028710872 /nfs/dbraw/zinc/71/08/72/1028710872.db2.gz WIFIWCKSIPJXAS-DLBZAZTESA-N 0 0 348.487 4.471 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156737355 1028827875 /nfs/dbraw/zinc/82/78/75/1028827875.db2.gz JBLMIEOWYSDZSY-MFKMUULPSA-N 0 0 340.254 4.020 20 10 EICDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)ccc21 ZINC000346947799 1028828295 /nfs/dbraw/zinc/82/82/95/1028828295.db2.gz DPEGWZBJBMIVOP-KBXCAEBGSA-N 0 0 342.483 4.165 20 10 EICDRN C[C@@H]1CCCN(c2ccc(CNCc3cscn3)cc2Cl)C1 ZINC000281871603 1028903237 /nfs/dbraw/zinc/90/32/37/1028903237.db2.gz CRPFLJNHYYDPDM-CYBMUJFWSA-N 0 0 335.904 4.323 20 10 EICDRN Cc1nc(Cl)cc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1 ZINC000301140596 1029676676 /nfs/dbraw/zinc/67/66/76/1029676676.db2.gz FEWFDGVXJZXSEN-UHFFFAOYSA-N 0 0 342.805 4.353 20 10 EICDRN CC1CCN(c2ccc(CNc3nc4ccccc4c(=O)[nH]3)cc2)CC1 ZINC000301188829 1029684198 /nfs/dbraw/zinc/68/41/98/1029684198.db2.gz GGUIBJIEYDVNCY-UHFFFAOYSA-N 0 0 348.450 4.184 20 10 EICDRN O=[N+]([O-])c1ccccc1Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000301373390 1029718057 /nfs/dbraw/zinc/71/80/57/1029718057.db2.gz UWVOULQXWJNTTI-ZDUSSCGKSA-N 0 0 331.347 4.068 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)c2ccc(F)cc2F)c1 ZINC000162188265 1029799790 /nfs/dbraw/zinc/79/97/90/1029799790.db2.gz BACXWXNRXYXUNI-RYUDHWBXSA-N 0 0 349.377 4.050 20 10 EICDRN Cn1cc(-c2cc(CSc3ncc(C(C)(C)C)s3)on2)cn1 ZINC000184020223 1030033441 /nfs/dbraw/zinc/03/34/41/1030033441.db2.gz KNNDGRRSUMBKID-UHFFFAOYSA-N 0 0 334.470 4.121 20 10 EICDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cc2ccccc2o1 ZINC000525923957 1030103689 /nfs/dbraw/zinc/10/36/89/1030103689.db2.gz XYWIMNXVKKPLSU-UHFFFAOYSA-N 0 0 347.418 4.232 20 10 EICDRN CCc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)o1 ZINC000760213180 1030258861 /nfs/dbraw/zinc/25/88/61/1030258861.db2.gz XOKXZNGLTGGGES-XNTDXEJSSA-N 0 0 345.445 4.256 20 10 EICDRN Cc1noc(C)c1/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O ZINC000255616150 1030605357 /nfs/dbraw/zinc/60/53/57/1030605357.db2.gz SEQNMHHTYPCPIN-ZRRZQRFHSA-N 0 0 344.461 4.254 20 10 EICDRN Cc1cc(Br)ccc1NNC(=S)Nc1ccccc1 ZINC000728448143 1030765777 /nfs/dbraw/zinc/76/57/77/1030765777.db2.gz KISDROINWQSHHO-UHFFFAOYSA-N 0 0 336.258 4.071 20 10 EICDRN O=C1OC(c2cccs2)=N/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000008179558 1030888153 /nfs/dbraw/zinc/88/81/53/1030888153.db2.gz OSYKACBMRRGSPC-SSZFMOIBSA-N 0 0 338.432 4.083 20 10 EICDRN CC(C)(C)OC(=O)NCc1ccccc1NCc1ccccc1O ZINC000310054608 1031001352 /nfs/dbraw/zinc/00/13/52/1031001352.db2.gz UVMKPTLBTGGTAT-UHFFFAOYSA-N 0 0 328.412 4.029 20 10 EICDRN CC[C@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccc(F)cc1[O-] ZINC000528043405 1031060304 /nfs/dbraw/zinc/06/03/04/1031060304.db2.gz OMJJQGUVDBAXAA-QFBILLFUSA-N 0 0 330.403 4.127 20 10 EICDRN COc1ccc(N(C)Cc2nnc(-c3ccccc3)o2)cc1Cl ZINC000177073043 1031131748 /nfs/dbraw/zinc/13/17/48/1031131748.db2.gz ZTPVUZQKRGWLMU-UHFFFAOYSA-N 0 0 329.787 4.035 20 10 EICDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000305770251 1031299286 /nfs/dbraw/zinc/29/92/86/1031299286.db2.gz GZUGGTXJFXJLJL-UKRRQHHQSA-N 0 0 337.872 4.195 20 10 EICDRN COc1cc(C)cc(CNc2cc(NC(=O)C(C)C)ccc2C)c1O ZINC000894097041 1033355422 /nfs/dbraw/zinc/35/54/22/1033355422.db2.gz ASSJYDCNGRIXNX-UHFFFAOYSA-N 0 0 342.439 4.224 20 10 EICDRN CCCOc1cc(C)ccc1NCc1ccc(N2CCOCC2)cc1 ZINC000236921423 1033416501 /nfs/dbraw/zinc/41/65/01/1033416501.db2.gz SDOXEIKEAQLQMT-UHFFFAOYSA-N 0 0 340.467 4.233 20 10 EICDRN CCN(CC)c1ccc(CNc2ccc(OCCOC)cc2)cc1 ZINC000236938265 1033538263 /nfs/dbraw/zinc/53/82/63/1033538263.db2.gz HILXSNUFQKKLGM-UHFFFAOYSA-N 0 0 328.456 4.170 20 10 EICDRN CCNC(=O)c1ccc(C)c(NCc2ccc(N(CC)CC)cc2)c1 ZINC000236955245 1033619824 /nfs/dbraw/zinc/61/98/24/1033619824.db2.gz WWZZOYLLVSXJJG-UHFFFAOYSA-N 0 0 339.483 4.203 20 10 EICDRN CCN(CC)c1ccc(CNc2cccnc2-n2ccnc2C)cc1 ZINC000236978020 1033865111 /nfs/dbraw/zinc/86/51/11/1033865111.db2.gz IZAHZIAOKVXBLG-UHFFFAOYSA-N 0 0 335.455 4.034 20 10 EICDRN CCN(CC)c1nc2sc(C(=O)Nc3ccc(N)cc3)cc2s1 ZINC000236985497 1033877057 /nfs/dbraw/zinc/87/70/57/1033877057.db2.gz MOFIATCVYUHORJ-UHFFFAOYSA-N 0 0 346.481 4.039 20 10 EICDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1C(F)(F)F ZINC000047396145 1034472443 /nfs/dbraw/zinc/47/24/43/1034472443.db2.gz ZPYCMKOYBGVAMS-UHFFFAOYSA-N 0 0 338.329 4.383 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000728979669 1034673252 /nfs/dbraw/zinc/67/32/52/1034673252.db2.gz ZNKPGBCXDYGKGZ-QLFBSQMISA-N 0 0 333.472 4.431 20 10 EICDRN CCCCc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000728979817 1034674539 /nfs/dbraw/zinc/67/45/39/1034674539.db2.gz NQRSJSSSDAJCNU-AWEZNQCLSA-N 0 0 327.424 4.234 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(cccc3F)s2)c1 ZINC000728981062 1034678959 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CC1CCN(c2ccc(CNC(=O)NCCC3(F)CCC3)cc2)CC1 ZINC000805091513 1046851232 /nfs/dbraw/zinc/85/12/32/1046851232.db2.gz LXRRVZGOLQQYCL-UHFFFAOYSA-N 0 0 347.478 4.004 20 10 EICDRN CCC1(CC)Oc2ccc(NCc3c(O)cccc3OC)cc2O1 ZINC000786830527 1046871689 /nfs/dbraw/zinc/87/16/89/1046871689.db2.gz DVCKVSPYNUIODZ-UHFFFAOYSA-N 0 0 329.396 4.300 20 10 EICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2ccccc2)c1 ZINC000805257628 1046872508 /nfs/dbraw/zinc/87/25/08/1046872508.db2.gz AWICLVAUMSMJPK-ZRDIBKRKSA-N 0 0 331.371 4.417 20 10 EICDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1csc(Cl)c1 ZINC000786841353 1046878801 /nfs/dbraw/zinc/87/88/01/1046878801.db2.gz ILVZLLIROURQIQ-UHFFFAOYSA-N 0 0 334.872 4.322 20 10 EICDRN CCN(C)c1ccc([C@@H](C)Nc2ccc3ccc(=O)n(C)c3c2)cc1 ZINC000786942473 1046888763 /nfs/dbraw/zinc/88/87/63/1046888763.db2.gz WMGVBYABWNDXLF-OAHLLOKOSA-N 0 0 335.451 4.168 20 10 EICDRN CC[C@@H](Nc1ccc2ccc(=O)n(C)c2c1)c1cc(Cl)ccc1O ZINC000786940946 1046889195 /nfs/dbraw/zinc/88/91/95/1046889195.db2.gz 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COc1ccc(N(C)Cc2ccc(Cl)nc2Cl)c(OC)c1 ZINC000788021965 1047096309 /nfs/dbraw/zinc/09/63/09/1047096309.db2.gz XYGLINFUFKIXLW-UHFFFAOYSA-N 0 0 327.211 4.042 20 10 EICDRN CC[C@@H]([NH2+]CCOCC(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806134580 1047127415 /nfs/dbraw/zinc/12/74/15/1047127415.db2.gz LPRDLXNPJCCDET-LLVKDONJSA-N 0 0 346.176 4.319 20 10 EICDRN CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccc(Cl)c1[O-] ZINC000806135865 1047130858 /nfs/dbraw/zinc/13/08/58/1047130858.db2.gz XNVLGOKNNPSEIM-SFHVURJKSA-N 0 0 341.842 4.472 20 10 EICDRN CC[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cccc(Cl)c1[O-] ZINC000806135682 1047132124 /nfs/dbraw/zinc/13/21/24/1047132124.db2.gz VKGXANRXXSFPQW-SFHVURJKSA-N 0 0 341.842 4.472 20 10 EICDRN CC[C@@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1cccc(Cl)c1[O-] ZINC000806137633 1047134076 /nfs/dbraw/zinc/13/40/76/1047134076.db2.gz QDPMAQYIUKBEPL-MRXNPFEDSA-N 0 0 334.847 4.307 20 10 EICDRN CC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129654 1047151368 /nfs/dbraw/zinc/15/13/68/1047151368.db2.gz HMMVEJAJMXBCRY-OAHLLOKOSA-N 0 0 342.270 4.404 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000806128143 1047152315 /nfs/dbraw/zinc/15/23/15/1047152315.db2.gz GPRIQPIXDDOMAJ-APWZRJJASA-N 0 0 344.886 4.361 20 10 EICDRN CC[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cccc(Cl)c1[O-] ZINC000806129590 1047152797 /nfs/dbraw/zinc/15/27/97/1047152797.db2.gz GXDOMFGCSZXMOR-JKSUJKDBSA-N 0 0 338.904 4.451 20 10 EICDRN CC[C@@H](Nc1cccc(C(=O)N(C)CC)c1)c1ccc(C)cc1O ZINC000806170314 1047157359 /nfs/dbraw/zinc/15/73/59/1047157359.db2.gz QIWMUCLKQYFHPL-GOSISDBHSA-N 0 0 326.440 4.356 20 10 EICDRN CC[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000806173705 1047160104 /nfs/dbraw/zinc/16/01/04/1047160104.db2.gz ZTYKURIYXXTSBV-MSOLQXFVSA-N 0 0 334.410 4.014 20 10 EICDRN CC[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(F)cc1[O-] ZINC000806177016 1047163754 /nfs/dbraw/zinc/16/37/54/1047163754.db2.gz RXHBATIXPDOBOD-SJORKVTESA-N 0 0 337.822 4.349 20 10 EICDRN CCc1cc(C[NH2+][C@@H](CC)c2cc(Cl)cc(Cl)c2[O-])on1 ZINC000806140492 1047165419 /nfs/dbraw/zinc/16/54/19/1047165419.db2.gz LBHJMLBNUNRVRG-AWEZNQCLSA-N 0 0 329.227 4.490 20 10 EICDRN CC[C@H]([NH2+]CCNc1ccccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140778 1047165830 /nfs/dbraw/zinc/16/58/30/1047165830.db2.gz MMCHUPHHYPOJAD-AWEZNQCLSA-N 0 0 340.254 4.247 20 10 EICDRN CC[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cccc(Cl)c1[O-] ZINC000806147874 1047170045 /nfs/dbraw/zinc/17/00/45/1047170045.db2.gz NVMMCLXAKALTPH-AOMKIAJQSA-N 0 0 337.872 4.024 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144775 1047170555 /nfs/dbraw/zinc/17/05/55/1047170555.db2.gz VKNKBYYUVKFOBT-HPEXNQPKSA-N 0 0 343.298 4.222 20 10 EICDRN CC[C@@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)c1cccc(Cl)c1[O-] ZINC000806150124 1047173202 /nfs/dbraw/zinc/17/32/02/1047173202.db2.gz LVZXCNFTTPIMMT-CXAGYDPISA-N 0 0 347.842 4.099 20 10 EICDRN CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148637 1047173258 /nfs/dbraw/zinc/17/32/58/1047173258.db2.gz JGULOFAZMPEURI-KWQFWETISA-N 0 0 346.176 4.053 20 10 EICDRN CC[C@@H](Nc1cnn(Cc2ccncc2)c1)c1cccc(Cl)c1O ZINC000806153929 1047178552 /nfs/dbraw/zinc/17/85/52/1047178552.db2.gz BEXGPKDMUFFIKO-QGZVFWFLSA-N 0 0 342.830 4.249 20 10 EICDRN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(Cl)c1[O-] ZINC000806154203 1047179098 /nfs/dbraw/zinc/17/90/98/1047179098.db2.gz DOLQAWASJGKJQX-OXXUSNJHSA-N 0 0 335.875 4.434 20 10 EICDRN CC[C@H](Nc1ccc(NC(=O)COC)cc1)c1cccc(Cl)c1O ZINC000806156064 1047179243 /nfs/dbraw/zinc/17/92/43/1047179243.db2.gz XCPLKTYTFXEXDC-INIZCTEOSA-N 0 0 348.830 4.194 20 10 EICDRN CC[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1cccc(Cl)c1O ZINC000806157757 1047182686 /nfs/dbraw/zinc/18/26/86/1047182686.db2.gz ULTMVHLDCKXOIM-DYVFJYSZSA-N 0 0 344.842 4.212 20 10 EICDRN CC[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cccc(Cl)c1O ZINC000806157761 1047183342 /nfs/dbraw/zinc/18/33/42/1047183342.db2.gz ULTMVHLDCKXOIM-SUMWQHHRSA-N 0 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Fc1ccccc1NC(=S)NNc1ccc(OC(F)(F)F)cc1 ZINC000812474883 1049488853 /nfs/dbraw/zinc/48/88/53/1049488853.db2.gz HTDZDARAIXYVHD-UHFFFAOYSA-N 0 0 345.321 4.038 20 10 EICDRN CCOc1ccc(N2CCN(C(=O)C[C@H](CC)C(C)(C)C)CC2)cc1 ZINC001137658638 1049489567 /nfs/dbraw/zinc/48/95/67/1049489567.db2.gz PZZVJYPISWCIGE-KRWDZBQOSA-N 0 0 346.515 4.196 20 10 EICDRN Cc1cc(C(=O)NC/C=C/c2cccnc2)c(C)n1-c1cccc(C)c1 ZINC000820395323 1049491241 /nfs/dbraw/zinc/49/12/41/1049491241.db2.gz BQGRIAIJDIELGA-RMKNXTFCSA-N 0 0 345.446 4.241 20 10 EICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1c(F)cncc1F ZINC001171353121 1049504861 /nfs/dbraw/zinc/50/48/61/1049504861.db2.gz KCJGYPRBTBDYRU-AWEZNQCLSA-N 0 0 332.394 4.203 20 10 EICDRN C[C@@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773008222 1049520346 /nfs/dbraw/zinc/52/03/46/1049520346.db2.gz LCWVYVOLVHNNOE-KDOFPFPSSA-N 0 0 340.492 4.209 20 10 EICDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C(F)(F)F)o1 ZINC000773009781 1049520560 /nfs/dbraw/zinc/52/05/60/1049520560.db2.gz QWVKBXDBFMTADV-LLVKDONJSA-N 0 0 340.345 4.164 20 10 EICDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C(F)(F)F)o1 ZINC000773009782 1049520856 /nfs/dbraw/zinc/52/08/56/1049520856.db2.gz QWVKBXDBFMTADV-NSHDSACASA-N 0 0 340.345 4.164 20 10 EICDRN C[C@H](NC(=O)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000773015650 1049531917 /nfs/dbraw/zinc/53/19/17/1049531917.db2.gz ROHGEMJWTSFWAL-LBPRGKRZSA-N 0 0 347.256 4.006 20 10 EICDRN C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)c1ccc(N(C)C)cc1 ZINC000773018265 1049533478 /nfs/dbraw/zinc/53/34/78/1049533478.db2.gz YLMJAKZVZJAJTL-SJKOYZFVSA-N 0 0 346.521 4.022 20 10 EICDRN C[C@@H](NC(=O)[C@H]1SCCc2sccc21)c1ccc(N(C)C)cc1 ZINC000773018261 1049534271 /nfs/dbraw/zinc/53/42/71/1049534271.db2.gz YLMJAKZVZJAJTL-PXAZEXFGSA-N 0 0 346.521 4.022 20 10 EICDRN CC[C@H](C)CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000820874144 1049571035 /nfs/dbraw/zinc/57/10/35/1049571035.db2.gz YKYUHAKNDYVKKE-HNNXBMFYSA-N 0 0 330.428 4.133 20 10 EICDRN C[C@@H]1OCc2c1nc(Cl)nc2NCc1cc2ccccc2cc1O ZINC001171399123 1049616097 /nfs/dbraw/zinc/61/60/97/1049616097.db2.gz CZWSCGLCXWQIAM-JTQLQIEISA-N 0 0 341.798 4.192 20 10 EICDRN CSc1nc2[nH]ccc2c(NCc2cc3ccccc3cc2O)n1 ZINC001171399088 1049616155 /nfs/dbraw/zinc/61/61/55/1049616155.db2.gz BRUPVDKUXZMLMF-UHFFFAOYSA-N 0 0 336.420 4.151 20 10 EICDRN CSc1nc2c(c(NCc3cc4ccccc4cc3O)n1)CCC2 ZINC001171399523 1049618043 /nfs/dbraw/zinc/61/80/43/1049618043.db2.gz JILOCICGRMBIAF-UHFFFAOYSA-N 0 0 337.448 4.158 20 10 EICDRN Oc1cc2ccccc2cc1CNc1ncccc1C1CCOCC1 ZINC001171402963 1049624116 /nfs/dbraw/zinc/62/41/16/1049624116.db2.gz VPPZOAZLYGDXOQ-UHFFFAOYSA-N 0 0 334.419 4.447 20 10 EICDRN Oc1cc2ccccc2cc1CNc1cc(Br)ccn1 ZINC001171404354 1049626849 /nfs/dbraw/zinc/62/68/49/1049626849.db2.gz AXJFJQBEZYSEGR-UHFFFAOYSA-N 0 0 329.197 4.315 20 10 EICDRN COc1cc(NCc2cc3ccccc3cc2O)ccc1NC(C)=O ZINC001171404945 1049628260 /nfs/dbraw/zinc/62/82/60/1049628260.db2.gz MHRGAPNBJARWAS-UHFFFAOYSA-N 0 0 336.391 4.125 20 10 EICDRN Oc1cc2ccccc2cc1CNc1ccc(Cn2ccnc2)cc1 ZINC001171404647 1049628577 /nfs/dbraw/zinc/62/85/77/1049628577.db2.gz GOZHYCATSCRZBF-UHFFFAOYSA-N 0 0 329.403 4.402 20 10 EICDRN CC(=O)O[C@H]1Cc2ccc(NCc3cc4ccccc4cc3O)cc2C1 ZINC001171405456 1049631385 /nfs/dbraw/zinc/63/13/85/1049631385.db2.gz VOXPOEGZRRWKSD-NRFANRHFSA-N 0 0 347.414 4.188 20 10 EICDRN COc1ccnc2cc(NCc3cc4ccccc4cc3O)cnc21 ZINC001171406791 1049632891 /nfs/dbraw/zinc/63/28/91/1049632891.db2.gz FMPKYXWLKKKYGV-UHFFFAOYSA-N 0 0 331.375 4.109 20 10 EICDRN COC(=O)/C=C\c1ccc(NCc2cc3ccccc3cc2O)cc1 ZINC001171407570 1049636454 /nfs/dbraw/zinc/63/64/54/1049636454.db2.gz POKZAXMCEOUJJB-FLIBITNWSA-N 0 0 333.387 4.344 20 10 EICDRN CN(c1ccc(CNC(=O)c2ccccc2O)cc1)C1CCCCC1 ZINC001136446730 1049637266 /nfs/dbraw/zinc/63/72/66/1049637266.db2.gz SURJHKNBWUZAPO-UHFFFAOYSA-N 0 0 338.451 4.091 20 10 EICDRN CO[C@@H](CC(C)C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001136446792 1049637876 /nfs/dbraw/zinc/63/78/76/1049637876.db2.gz VKSXWQACPUTZOK-FQEVSTJZSA-N 0 0 346.515 4.133 20 10 EICDRN C[C@H](NC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccc(N(C)C)cc1 ZINC000773209123 1049662735 /nfs/dbraw/zinc/66/27/35/1049662735.db2.gz LZOWGNCYZDTSLQ-DEYYWGMASA-N 0 0 341.455 4.029 20 10 EICDRN C[NH+](C)Cc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000037141417 1049665827 /nfs/dbraw/zinc/66/58/27/1049665827.db2.gz OLMDMXAENHXGHO-UHFFFAOYSA-N 0 0 325.239 4.373 20 10 EICDRN CC(C)CCc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001136477050 1049666008 /nfs/dbraw/zinc/66/60/08/1049666008.db2.gz UNBDIIUXKDRNSJ-WQLSENKSSA-N 0 0 325.408 4.338 20 10 EICDRN C[C@@H](NC(=O)NCc1cc2ccccc2o1)c1ccc(N(C)C)cc1 ZINC000773224608 1049669442 /nfs/dbraw/zinc/66/94/42/1049669442.db2.gz PJCYNMRJXSJFMT-CQSZACIVSA-N 0 0 337.423 4.059 20 10 EICDRN C[C@H](NC(=O)NCc1c(F)cccc1Cl)c1ccc(N(C)C)cc1 ZINC000773240458 1049672042 /nfs/dbraw/zinc/67/20/42/1049672042.db2.gz GJTKFRZFBDKMQB-LBPRGKRZSA-N 0 0 349.837 4.106 20 10 EICDRN Cc1cc(C(=O)N(C)Cc2ccncc2)c(C)n1-c1cccc(C)c1 ZINC000106100887 1049689059 /nfs/dbraw/zinc/68/90/59/1049689059.db2.gz QGJOVKCMWHABCL-UHFFFAOYSA-N 0 0 333.435 4.070 20 10 EICDRN CN(C)c1ccc(CN(C(=O)CCCC(=O)C(C)(C)C)C2CC2)cc1 ZINC000822415674 1049760795 /nfs/dbraw/zinc/76/07/95/1049760795.db2.gz DECUIZVVLHUKRH-UHFFFAOYSA-N 0 0 344.499 4.029 20 10 EICDRN C[C@@H](NC(=O)C1(Cc2cccc(F)c2)CCC1)c1ccccc1O ZINC001171722967 1049783241 /nfs/dbraw/zinc/78/32/41/1049783241.db2.gz IBKSXNXSJIBWOB-CQSZACIVSA-N 0 0 327.399 4.122 20 10 EICDRN C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccccc1O ZINC001171716835 1049784314 /nfs/dbraw/zinc/78/43/14/1049784314.db2.gz AIYZCLYJDXTITQ-SNVBAGLBSA-N 0 0 341.354 4.495 20 10 EICDRN COc1ccc(N(C)Cc2ncc(Br)cc2Cl)cc1 ZINC001171745897 1049789699 /nfs/dbraw/zinc/78/96/99/1049789699.db2.gz HESBGXFEVFWKFS-UHFFFAOYSA-N 0 0 341.636 4.143 20 10 EICDRN CSCCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000828582786 1049807803 /nfs/dbraw/zinc/80/78/03/1049807803.db2.gz KCPPFEARGLAFCX-OAHLLOKOSA-N 0 0 334.510 4.184 20 10 EICDRN CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1c1cccs1 ZINC000822959258 1049811807 /nfs/dbraw/zinc/81/18/07/1049811807.db2.gz HIBDFGZIVJMMEI-CQSZACIVSA-N 0 0 342.424 4.134 20 10 EICDRN O=C(NCc1ccc2cccnc2c1O)c1cc(C2CC2)oc1C1CC1 ZINC000823181816 1049826813 /nfs/dbraw/zinc/82/68/13/1049826813.db2.gz PIQJHHJEXHKTRB-UHFFFAOYSA-N 0 0 348.402 4.218 20 10 EICDRN CC[C@@H]([NH2+]Cc1snnc1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813883489 1049831183 /nfs/dbraw/zinc/83/11/83/1049831183.db2.gz NLBWWMDCQIMPSX-SNVBAGLBSA-N 0 0 332.256 4.100 20 10 EICDRN COc1ccc(O)c(CN(C)[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000180038136 1049832943 /nfs/dbraw/zinc/83/29/43/1049832943.db2.gz DDBONDQMIZHJKL-INIZCTEOSA-N 0 0 325.330 4.136 20 10 EICDRN CC(C)[C@H]1N(C(=O)c2ccc(N=NC(N)=O)cc2)CC12CCCCC2 ZINC000823533775 1049855834 /nfs/dbraw/zinc/85/58/34/1049855834.db2.gz NCYHVDXOIPXHCE-MRXNPFEDSA-N 0 0 342.443 4.280 20 10 EICDRN COc1cccc(CNC(=O)c2ccccc2Oc2ccccc2)c1O ZINC000068488585 1049859675 /nfs/dbraw/zinc/85/96/75/1049859675.db2.gz OMGJNIJBDMGXOG-UHFFFAOYSA-N 0 0 349.386 4.123 20 10 EICDRN C[C@H](Oc1ccccc1NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001136803403 1049890706 /nfs/dbraw/zinc/89/07/06/1049890706.db2.gz BEGWKMXMWUWBEV-AWEZNQCLSA-N 0 0 349.386 4.490 20 10 EICDRN CC[C@H](C(=O)NCc1ccc(N(C)C)cc1C)c1ccc(F)cc1 ZINC000763480297 1049916312 /nfs/dbraw/zinc/91/63/12/1049916312.db2.gz LIORWQNOCVDRAC-IBGZPJMESA-N 0 0 328.431 4.010 20 10 EICDRN Fc1cc(-c2noc(-c3nnsc3C3CC3)n2)c(F)cc1Cl ZINC001212679682 1049970750 /nfs/dbraw/zinc/97/07/50/1049970750.db2.gz OSDWBLLYMIMQDU-UHFFFAOYSA-N 0 0 340.742 4.064 20 10 EICDRN CCCCc1ccc(-c2noc(-c3nnsc3C3CC3)n2)cc1 ZINC001212679856 1049971767 /nfs/dbraw/zinc/97/17/67/1049971767.db2.gz XXFVWKDSPZLGPD-UHFFFAOYSA-N 0 0 326.425 4.475 20 10 EICDRN Clc1cc(Cl)cc(-c2noc(-c3nnsc3C3CC3)n2)c1 ZINC001212679787 1049972319 /nfs/dbraw/zinc/97/23/19/1049972319.db2.gz UZMMIDXOFAKRIS-UHFFFAOYSA-N 0 0 339.207 4.439 20 10 EICDRN Cc1cc(C)cc(C2=CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)c1 ZINC000181305478 1050095491 /nfs/dbraw/zinc/09/54/91/1050095491.db2.gz PYUXNWWUDSFPCQ-GQCTYLIASA-N 0 0 349.430 4.044 20 10 EICDRN CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773611978 1050156481 /nfs/dbraw/zinc/15/64/81/1050156481.db2.gz BMJAZOSUIVUFEG-INIZCTEOSA-N 0 0 325.456 4.045 20 10 EICDRN C[C@H](NC(=O)N1Cc2ccccc2C2(CC2)C1)c1ccc(N(C)C)cc1 ZINC000773620818 1050162794 /nfs/dbraw/zinc/16/27/94/1050162794.db2.gz XBTGGTULTKYPPK-INIZCTEOSA-N 0 0 349.478 4.071 20 10 EICDRN C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773624479 1050164387 /nfs/dbraw/zinc/16/43/87/1050164387.db2.gz MURAGEJYIALQSC-HOTGVXAUSA-N 0 0 325.456 4.216 20 10 EICDRN CC(C)c1snnc1-c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001212687305 1050184642 /nfs/dbraw/zinc/18/46/42/1050184642.db2.gz MIULYDNFZGNEHX-UHFFFAOYSA-N 0 0 340.330 4.397 20 10 EICDRN CN(C)c1ccc(CNc2ccc(N3CCCCC3)cc2)cc1F ZINC001177374426 1050198985 /nfs/dbraw/zinc/19/89/85/1050198985.db2.gz IWZJGVVWZUFPHI-UHFFFAOYSA-N 0 0 327.447 4.494 20 10 EICDRN COc1c([O-])c(C[NH2+][C@H](c2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774965131 1050222516 /nfs/dbraw/zinc/22/25/16/1050222516.db2.gz XONBVBHDJXGFAX-GOSISDBHSA-N 0 0 344.411 4.186 20 10 EICDRN O=C(NCc1cc2ccccc2cc1O)Nc1c(F)cc(F)cc1F ZINC001186082079 1050228098 /nfs/dbraw/zinc/22/80/98/1050228098.db2.gz WGIAZIWOOZOXDE-UHFFFAOYSA-N 0 0 346.308 4.284 20 10 EICDRN Cc1cc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)on1 ZINC000181584941 1050232994 /nfs/dbraw/zinc/23/29/94/1050232994.db2.gz QWOGUPCYQMKRID-HNNXBMFYSA-N 0 0 336.391 4.092 20 10 EICDRN COC(=O)/C=C/c1ccc(N(C)[C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001186247581 1050269741 /nfs/dbraw/zinc/26/97/41/1050269741.db2.gz CJJYOYHAGZUXGR-IEZBTEQYSA-N 0 0 346.427 4.186 20 10 EICDRN Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1c(O)cccc1Br ZINC001177650833 1050278097 /nfs/dbraw/zinc/27/80/97/1050278097.db2.gz OUQZPRPUBRLXIP-INIZCTEOSA-N 0 0 332.241 4.240 20 10 EICDRN COc1ccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc1F ZINC001177658511 1050281789 /nfs/dbraw/zinc/28/17/89/1050281789.db2.gz WVMQVJQAXJLPPF-UHFFFAOYSA-N 0 0 344.213 4.179 20 10 EICDRN C=Cc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2O)cc1 ZINC001186527837 1050353550 /nfs/dbraw/zinc/35/35/50/1050353550.db2.gz ZFTUTBCNTRZORD-UHFFFAOYSA-N 0 0 338.794 4.167 20 10 EICDRN Cc1cc(Br)c([O-])c(C[NH2+]C2(C)Cc3ccccc3C2)c1 ZINC001178218537 1050415370 /nfs/dbraw/zinc/41/53/70/1050415370.db2.gz RLFAPNXJEDFBSQ-UHFFFAOYSA-N 0 0 346.268 4.110 20 10 EICDRN CSCCCN1C(=O)/C(=C/c2cc(F)ccc2C)SC1=S ZINC000182076545 1050457880 /nfs/dbraw/zinc/45/78/80/1050457880.db2.gz RVKKOXQJNAWENJ-LCYFTJDESA-N 0 0 341.498 4.088 20 10 EICDRN CC(C)(C(=O)NCc1c(O)cccc1F)c1ccc2ccccc2c1 ZINC001178412599 1050465982 /nfs/dbraw/zinc/46/59/82/1050465982.db2.gz BGRZACWQGGBFKP-UHFFFAOYSA-N 0 0 337.394 4.279 20 10 EICDRN CCOc1ccccc1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000182092497 1050473140 /nfs/dbraw/zinc/47/31/40/1050473140.db2.gz NCZPWOUYDJJOGV-HNNXBMFYSA-N 0 0 344.430 4.234 20 10 EICDRN CS[C@@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])C(C)(C)C ZINC001178472803 1050479563 /nfs/dbraw/zinc/47/95/63/1050479563.db2.gz HHSYADAIZXJRIY-ZDUSSCGKSA-N 0 0 346.334 4.330 20 10 EICDRN CCN(C)c1ccc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000773765491 1050533658 /nfs/dbraw/zinc/53/36/58/1050533658.db2.gz LOSXWIHBHVJKCX-HNAYVOBHSA-N 0 0 330.497 4.166 20 10 EICDRN Oc1cccc(F)c1CNc1ccc(-c2ccc(Cl)s2)nn1 ZINC001187677892 1050593020 /nfs/dbraw/zinc/59/30/20/1050593020.db2.gz PQAIMFKVKJMMHQ-UHFFFAOYSA-N 0 0 335.791 4.315 20 10 EICDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc(-n2cccc2)cc1 ZINC001179029204 1050619522 /nfs/dbraw/zinc/61/95/22/1050619522.db2.gz LLUMKOSPBKVVPR-UHFFFAOYSA-N 0 0 342.398 4.266 20 10 EICDRN C[C@@]1(C(=O)NCc2c(O)ccc3ccccc32)CCCc2ccccc21 ZINC001179032778 1050620513 /nfs/dbraw/zinc/62/05/13/1050620513.db2.gz NKPGYVVRXLPPEZ-HSZRJFAPSA-N 0 0 345.442 4.456 20 10 EICDRN O=C(NCc1c(O)ccc2ccccc21)C1(c2cccnc2)CCCC1 ZINC001179033584 1050622809 /nfs/dbraw/zinc/62/28/09/1050622809.db2.gz ZBFMZACOFOGFQS-UHFFFAOYSA-N 0 0 346.430 4.069 20 10 EICDRN CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CS1 ZINC000775152673 1050643874 /nfs/dbraw/zinc/64/38/74/1050643874.db2.gz OSFTVZRQOFSSBK-AAEUAGOBSA-N 0 0 344.318 4.165 20 10 EICDRN CCCc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])cc1 ZINC000775151013 1050644219 /nfs/dbraw/zinc/64/42/19/1050644219.db2.gz DGEXVQIJSSGZFE-UHFFFAOYSA-N 0 0 334.257 4.397 20 10 EICDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)C2CCC(F)CC2)c1 ZINC001179257537 1050661694 /nfs/dbraw/zinc/66/16/94/1050661694.db2.gz DCVQCSQVNGTZLE-LKSINWNRSA-N 0 0 344.268 4.470 20 10 EICDRN CCCSc1cccc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC001179328432 1050675634 /nfs/dbraw/zinc/67/56/34/1050675634.db2.gz UKXARVGFOURWHN-UHFFFAOYSA-N 0 0 343.496 4.032 20 10 EICDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2cscc2Cl)c1 ZINC001179602984 1050728351 /nfs/dbraw/zinc/72/83/51/1050728351.db2.gz PKXPWLOHLAJYSI-UHFFFAOYSA-N 0 0 346.677 4.468 20 10 EICDRN CC[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(N(C)C)cc1 ZINC000182660936 1050790387 /nfs/dbraw/zinc/79/03/87/1050790387.db2.gz BJRFXHMRQMUJPS-FQEVSTJZSA-N 0 0 337.467 4.208 20 10 EICDRN O=C(Cc1ccccc1Oc1ccccc1)NCc1ccccc1O ZINC001179876958 1050812820 /nfs/dbraw/zinc/81/28/20/1050812820.db2.gz KAOCRNMCNSMVIQ-UHFFFAOYSA-N 0 0 333.387 4.043 20 10 EICDRN CCCNC(=O)c1ccc(NCc2ccc(N(CC)CC)cc2)cc1 ZINC000775185761 1050818525 /nfs/dbraw/zinc/81/85/25/1050818525.db2.gz VTZNMOSMSBZKSG-UHFFFAOYSA-N 0 0 339.483 4.285 20 10 EICDRN O=C(C[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001179925147 1050819094 /nfs/dbraw/zinc/81/90/94/1050819094.db2.gz NKIWSXDCFJLLLL-MRXNPFEDSA-N 0 0 349.352 4.047 20 10 EICDRN Oc1ccc(F)cc1CN1CCc2c(Cl)cc(Cl)cc2C1 ZINC001179943131 1050826606 /nfs/dbraw/zinc/82/66/06/1050826606.db2.gz ZSKCTISLBPMHGA-UHFFFAOYSA-N 0 0 326.198 4.396 20 10 EICDRN CC[C@H](Nc1cc(C(=O)N(C)C)ccc1C)c1ccc(N(C)C)cc1 ZINC000182812673 1050841633 /nfs/dbraw/zinc/84/16/33/1050841633.db2.gz ALGHFTCQIFOYBY-IBGZPJMESA-N 0 0 339.483 4.326 20 10 EICDRN CCOc1ccc(N[C@H](C)c2ccc(N(C)CC)cc2)cc1CO ZINC000182906282 1050875732 /nfs/dbraw/zinc/87/57/32/1050875732.db2.gz AKAMQMGNSSZDKA-OAHLLOKOSA-N 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CC(C)c1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)on1 ZINC000071100761 1051038386 /nfs/dbraw/zinc/03/83/86/1051038386.db2.gz HKXVOILVHYQEJJ-UHFFFAOYSA-N 0 0 341.455 4.061 20 10 EICDRN CC(C)[C@H](Sc1ncc(Cl)s1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC001189833340 1051072724 /nfs/dbraw/zinc/07/27/24/1051072724.db2.gz VIGCTDJVNSILSK-WZRBSPASSA-N 0 0 346.949 4.418 20 10 EICDRN CC(C)(O)c1cncc(Nc2ccc(CCc3ccc(N)cc3)cc2)c1 ZINC001174592203 1051073714 /nfs/dbraw/zinc/07/37/14/1051073714.db2.gz XHBOXVLEFFLVNV-UHFFFAOYSA-N 0 0 347.462 4.420 20 10 EICDRN CC(C)c1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000775328651 1051073928 /nfs/dbraw/zinc/07/39/28/1051073928.db2.gz NGBPATRGGQTDQD-UHFFFAOYSA-N 0 0 342.458 4.076 20 10 EICDRN CCc1cccc(C)c1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001189970674 1051081648 /nfs/dbraw/zinc/08/16/48/1051081648.db2.gz BNFNOUAFBRIFFY-UHFFFAOYSA-N 0 0 325.456 4.287 20 10 EICDRN CC(C)Cc1ccc([C@@H](C)C(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001180901983 1051102997 /nfs/dbraw/zinc/10/29/97/1051102997.db2.gz FYHDZFCYAKSMEB-MRXNPFEDSA-N 0 0 337.463 4.279 20 10 EICDRN Cc1cc(C(=O)CSC[C@H](C)O)c(C)n1-c1ccc(C)c(C)c1 ZINC001190054091 1051108501 /nfs/dbraw/zinc/10/85/01/1051108501.db2.gz GHKDQLMFOXTZCV-HNNXBMFYSA-N 0 0 331.481 4.008 20 10 EICDRN COc1c(F)ccc(F)c1Nc1ccccc1C(=O)c1ccncc1 ZINC001174664612 1051132824 /nfs/dbraw/zinc/13/28/24/1051132824.db2.gz SXEBKKPFZLDNBY-UHFFFAOYSA-N 0 0 340.329 4.343 20 10 EICDRN Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H](C)c1ccccc1O ZINC001190383727 1051161871 /nfs/dbraw/zinc/16/18/71/1051161871.db2.gz ZZGXUVQVADEQDU-LBPRGKRZSA-N 0 0 337.379 4.238 20 10 EICDRN Cc1noc(-c2ccccc2)c1NC(=O)N[C@H](C)c1ccccc1O ZINC001190383726 1051162407 /nfs/dbraw/zinc/16/24/07/1051162407.db2.gz ZZGXUVQVADEQDU-GFCCVEGCSA-N 0 0 337.379 4.238 20 10 EICDRN CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2C)cc1 ZINC001190447267 1051188916 /nfs/dbraw/zinc/18/89/16/1051188916.db2.gz LYPMLXLJWXSXES-UHFFFAOYSA-N 0 0 347.480 4.497 20 10 EICDRN CCc1cccc(CNc2ccc(C(=O)NC(C)(C)CC)cc2)c1O ZINC001181306624 1051203939 /nfs/dbraw/zinc/20/39/39/1051203939.db2.gz YGRBUPVMMRGGAH-UHFFFAOYSA-N 0 0 340.467 4.485 20 10 EICDRN CSc1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1C ZINC000775399593 1051220350 /nfs/dbraw/zinc/22/03/50/1051220350.db2.gz DJUKOEMDLABPLJ-UHFFFAOYSA-N 0 0 343.496 4.413 20 10 EICDRN COc1ccc2ccc(C(=O)NCc3c(C)cc(C)cc3O)cc2c1 ZINC001174866454 1051222945 /nfs/dbraw/zinc/22/29/45/1051222945.db2.gz GOFBGJJGPSSMPZ-UHFFFAOYSA-N 0 0 335.403 4.101 20 10 EICDRN COc1cc(Cl)c(Cl)cc1C(=O)N[C@H](C)c1ccccc1O ZINC001151885705 1051245492 /nfs/dbraw/zinc/24/54/92/1051245492.db2.gz CUYNGSYJYWTRSS-SECBINFHSA-N 0 0 340.206 4.199 20 10 EICDRN Cc1cc(N(C)C)ccc1CN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC001181544386 1051250872 /nfs/dbraw/zinc/25/08/72/1051250872.db2.gz OUXSCAIKTROBOH-UHFFFAOYSA-N 0 0 334.467 4.083 20 10 EICDRN CC(C)n1ccc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001203171226 1051267421 /nfs/dbraw/zinc/26/74/21/1051267421.db2.gz XFHMIBWCEMOHOL-UHFFFAOYSA-N 0 0 345.402 4.170 20 10 EICDRN COC[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1ccc(Cl)cc1 ZINC001181842497 1051326873 /nfs/dbraw/zinc/32/68/73/1051326873.db2.gz IULKDKZPSNEVAR-CQSZACIVSA-N 0 0 340.250 4.219 20 10 EICDRN Cc1cc2scc(CC(=O)N3Cc4cccc(O)c4C3)c2s1 ZINC001175037349 1051330281 /nfs/dbraw/zinc/33/02/81/1051330281.db2.gz FTDXOBWFQGRVBD-UHFFFAOYSA-N 0 0 329.446 4.062 20 10 EICDRN Cc1c[nH]c(C(=O)Nc2ccc(/C=C/c3ccc(N(C)C)cc3)cc2)n1 ZINC001191103410 1051351947 /nfs/dbraw/zinc/35/19/47/1051351947.db2.gz QQDKOEQSAZTNMT-SNAWJCMRSA-N 0 0 346.434 4.207 20 10 EICDRN CC1(C)C[C@@H](C(=O)N(Cc2ccccc2)c2ccc(N)cc2)CCO1 ZINC001182023067 1051373901 /nfs/dbraw/zinc/37/39/01/1051373901.db2.gz HPRCIIVHANVZDB-KRWDZBQOSA-N 0 0 338.451 4.007 20 10 EICDRN C[C@@H](NC(=O)Nc1cc(Cl)ccc1F)c1ccc(N(C)C)cc1 ZINC000775453698 1051440866 /nfs/dbraw/zinc/44/08/66/1051440866.db2.gz JSTNEMAQUPQMRK-LLVKDONJSA-N 0 0 335.810 4.428 20 10 EICDRN C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774108772 1051457238 /nfs/dbraw/zinc/45/72/38/1051457238.db2.gz AEAURHIXNWYIIV-SNVBAGLBSA-N 0 0 336.222 4.198 20 10 EICDRN COc1ccc(N(CCC2(OC)CCC2)Cc2ccco2)cc1F ZINC001191590704 1051484377 /nfs/dbraw/zinc/48/43/77/1051484377.db2.gz DRRJKLYIYRZQRA-UHFFFAOYSA-N 0 0 333.403 4.393 20 10 EICDRN CSc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775468907 1051493984 /nfs/dbraw/zinc/49/39/84/1051493984.db2.gz XFWTXYAIUQWYLO-ZDUSSCGKSA-N 0 0 329.469 4.357 20 10 EICDRN C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774206574 1051501775 /nfs/dbraw/zinc/50/17/75/1051501775.db2.gz DPEHYRWHACAKSQ-MRVPVSSYSA-N 0 0 346.283 4.072 20 10 EICDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774186785 1051508405 /nfs/dbraw/zinc/50/84/05/1051508405.db2.gz CWFIJZMSLJQYHX-PIGZYNQJSA-N 0 0 340.250 4.257 20 10 EICDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001182355751 1051522109 /nfs/dbraw/zinc/52/21/09/1051522109.db2.gz FWWASZRFQOVQMD-LLVKDONJSA-N 0 0 344.680 4.430 20 10 EICDRN Cc1ccc(Cl)c(NC(=O)N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001191693215 1051523255 /nfs/dbraw/zinc/52/32/55/1051523255.db2.gz FIQLBNBNAMGBDE-UHFFFAOYSA-N 0 0 346.814 4.040 20 10 EICDRN CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774270409 1051537668 /nfs/dbraw/zinc/53/76/68/1051537668.db2.gz DYQINDYNKVMLMI-MEBBXXQBSA-N 0 0 332.271 4.147 20 10 EICDRN C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774270492 1051539285 /nfs/dbraw/zinc/53/92/85/1051539285.db2.gz FFKIWHCSSFWRFZ-GHMZBOCLSA-N 0 0 346.254 4.035 20 10 EICDRN CCN(Cc1cc(=O)oc2c(C)c(C)ccc12)c1ccc(OC)cc1 ZINC001191839928 1051566772 /nfs/dbraw/zinc/56/67/72/1051566772.db2.gz USMZIBPRSKGIOG-UHFFFAOYSA-N 0 0 337.419 4.445 20 10 EICDRN CO[C@H](CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])C(F)(F)F ZINC000774376050 1051567281 /nfs/dbraw/zinc/56/72/81/1051567281.db2.gz XAHFNWOJLPUKEE-JVXZTZIISA-N 0 0 346.176 4.317 20 10 EICDRN Cn1cc2cccc(Nc3ccccc3Cc3ccc(N)cc3)c2n1 ZINC001175462472 1051596820 /nfs/dbraw/zinc/59/68/20/1051596820.db2.gz HFCCLFQWUOYWGF-UHFFFAOYSA-N 0 0 328.419 4.490 20 10 EICDRN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2cccs2)no1 ZINC000774480485 1051609723 /nfs/dbraw/zinc/60/97/23/1051609723.db2.gz CFMRRNKYRGUGRM-QWHCGFSZSA-N 0 0 342.468 4.276 20 10 EICDRN C[C@@H](N[C@@H](C)c1nc(-c2ccccc2)no1)c1ccc(N(C)C)cc1 ZINC000774482528 1051611361 /nfs/dbraw/zinc/61/13/61/1051611361.db2.gz GUTGHBKAPYSBEU-CABCVRRESA-N 0 0 336.439 4.214 20 10 EICDRN C[S@](=O)c1ccc(Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC001175484741 1051613003 /nfs/dbraw/zinc/61/30/03/1051613003.db2.gz XZQLHKMMVVGLGC-DEOSSOPVSA-N 0 0 335.428 4.399 20 10 EICDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc3nccnc3c2)cc1 ZINC001175494065 1051620648 /nfs/dbraw/zinc/62/06/48/1051620648.db2.gz FVTNOIVCPGBSGR-UHFFFAOYSA-N 0 0 327.391 4.264 20 10 EICDRN Cn1ncc2cccc(N(c3ccc(N)cc3)c3ccc(N)cc3)c21 ZINC001175446857 1051622266 /nfs/dbraw/zinc/62/22/66/1051622266.db2.gz NQMDEZVVDRZXKC-UHFFFAOYSA-N 0 0 329.407 4.208 20 10 EICDRN CC[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513307 1051659485 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CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)c(C)c1 ZINC001192383135 1051711253 /nfs/dbraw/zinc/71/12/53/1051711253.db2.gz CUNVVMKAIMRFLS-UHFFFAOYSA-N 0 0 329.419 4.254 20 10 EICDRN Cc1n[nH]c2cc(-n3c(=N)ccc(N=Nc4ccccc4)c3N)ccc12 ZINC001175656504 1051714180 /nfs/dbraw/zinc/71/41/80/1051714180.db2.gz GEULBHRFMLCFRG-XKCNPXHNSA-N 0 0 343.394 4.139 20 10 EICDRN Cc1n[nH]c2ccc(Nc3ccccc3C(=O)c3ccncc3)cc12 ZINC001175702947 1051724339 /nfs/dbraw/zinc/72/43/39/1051724339.db2.gz UUTUGPHCQWNSMF-UHFFFAOYSA-N 0 0 328.375 4.241 20 10 EICDRN Cc1ccc(Br)cc1C[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001182917745 1051744612 /nfs/dbraw/zinc/74/46/12/1051744612.db2.gz BBDOLXKNJDUHSK-UHFFFAOYSA-N 0 0 342.183 4.031 20 10 EICDRN CC[C@H](Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1O ZINC000775532779 1051749724 /nfs/dbraw/zinc/74/97/24/1051749724.db2.gz YIQVHZVZSSJWTI-SFHVURJKSA-N 0 0 346.858 4.445 20 10 EICDRN Nc1ccc(CCc2ccc(Nc3ccc4[nH]nnc4c3)cc2)cc1 ZINC001176002422 1051868631 /nfs/dbraw/zinc/86/86/31/1051868631.db2.gz 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C[C@H](NC(=O)N1CC[C@H]1c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773610609 1052232605 /nfs/dbraw/zinc/23/26/05/1052232605.db2.gz FCXBXGFOJGXASL-LIRRHRJNSA-N 0 0 341.430 4.109 20 10 EICDRN CCCCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000774915136 1052284533 /nfs/dbraw/zinc/28/45/33/1052284533.db2.gz RKCIVMAVJSBEJI-UHFFFAOYSA-N 0 0 330.384 4.264 20 10 EICDRN CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-])O[C@H](C)C2 ZINC000184897898 1052298431 /nfs/dbraw/zinc/29/84/31/1052298431.db2.gz STXPLNFDPSDEHP-OLZOCXBDSA-N 0 0 345.414 4.104 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000185156909 1052494211 /nfs/dbraw/zinc/49/42/11/1052494211.db2.gz VCDANDCJKCVTRJ-KGLIPLIRSA-N 0 0 342.414 4.070 20 10 EICDRN O=C(c1ccc(F)cc1F)N(Cc1ccco1)Cc1ccccc1O ZINC000072622102 1052514868 /nfs/dbraw/zinc/51/48/68/1052514868.db2.gz OVNFRVRYIFPISB-UHFFFAOYSA-N 0 0 343.329 4.106 20 10 EICDRN CCc1cnc(CC[NH2+][C@H](C)c2ccc3ccccc3c2O)s1 ZINC000185583579 1052651270 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329.484 4.288 20 10 EICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H](O)c1ccccc1 ZINC001195324425 1053361668 /nfs/dbraw/zinc/36/16/68/1053361668.db2.gz PHMWAWCDAZTZLC-WIYYLYMNSA-N 0 0 325.452 4.064 20 10 EICDRN Cc1cc(C(=O)CSc2cccnn2)c(C)n1-c1ccccc1C ZINC000781385216 1053394877 /nfs/dbraw/zinc/39/48/77/1053394877.db2.gz NXYJUHFLSOVDBI-UHFFFAOYSA-N 0 0 337.448 4.168 20 10 EICDRN CC[N@H+](Cc1cccc(Cl)c1[O-])Cc1ccc(OC)cc1OC ZINC000775654347 1053399193 /nfs/dbraw/zinc/39/91/93/1053399193.db2.gz ZTZMCQUYOSPVMW-UHFFFAOYSA-N 0 0 335.831 4.085 20 10 EICDRN CCn1c(Sc2ncc(Cl)s2)nnc1-c1ccc(F)cc1 ZINC000765056561 1053425292 /nfs/dbraw/zinc/42/52/92/1053425292.db2.gz VRCSWKCMPIXEKZ-UHFFFAOYSA-N 0 0 340.836 4.365 20 10 EICDRN CC[C@@H](Nc1cccc(N2CCOCC2)c1)c1ccc(C)cc1O ZINC000794815847 1053425920 /nfs/dbraw/zinc/42/59/20/1053425920.db2.gz JAHYDUJUGLDUCC-LJQANCHMSA-N 0 0 326.440 4.100 20 10 EICDRN CC[C@H](Nc1ccc(OCCOC)c(F)c1)c1ccc(C)cc1O ZINC000794819513 1053433713 /nfs/dbraw/zinc/43/37/13/1053433713.db2.gz 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1053517584 /nfs/dbraw/zinc/51/75/84/1053517584.db2.gz CQJQLHMXMJFHLB-CYBMUJFWSA-N 0 0 331.412 4.208 20 10 EICDRN CC(C)Oc1ccc(N(C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000851986032 1053538695 /nfs/dbraw/zinc/53/86/95/1053538695.db2.gz ZIVVQELOYCVTPG-KRWDZBQOSA-N 0 0 346.515 4.195 20 10 EICDRN C[C@H](NC(=S)NCc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC001195998898 1053549783 /nfs/dbraw/zinc/54/97/83/1053549783.db2.gz SUOFHJPVQXXYAK-ZDUSSCGKSA-N 0 0 347.915 4.131 20 10 EICDRN C[C@H](NC(=O)N1CC[C@H]1c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000852260877 1053564218 /nfs/dbraw/zinc/56/42/18/1053564218.db2.gz FNDDLKNPHGVSQV-LIRRHRJNSA-N 0 0 341.430 4.109 20 10 EICDRN CSCCc1ccccc1NCc1ccc(N2CCOCC2)cc1 ZINC000865669035 1053570582 /nfs/dbraw/zinc/57/05/82/1053570582.db2.gz VPFRONDJLQHZSR-UHFFFAOYSA-N 0 0 342.508 4.041 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)c2ccc(C)nc2)cc1 ZINC001127877381 1053576262 /nfs/dbraw/zinc/57/62/62/1053576262.db2.gz OCWXFLBNNUDUBI-UHFFFAOYSA-N 0 0 347.462 4.463 20 10 EICDRN COc1ccc(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC000775691517 1053612220 /nfs/dbraw/zinc/61/22/20/1053612220.db2.gz YWXRUMQWFLDBAF-UHFFFAOYSA-N 0 0 331.843 4.434 20 10 EICDRN O=c1[nH]ccc(Nc2ccc(NC3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000853262769 1053662571 /nfs/dbraw/zinc/66/25/71/1053662571.db2.gz JOMZVBCJYMZNRI-UHFFFAOYSA-N 0 0 328.372 4.184 20 10 EICDRN O=C(c1cccc(O)c1O)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000776668557 1053674907 /nfs/dbraw/zinc/67/49/07/1053674907.db2.gz JUPWREJPQCNSTE-TUQDCPSNSA-N 0 0 337.419 4.196 20 10 EICDRN Cc1cc(Cl)cc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000775724404 1053690785 /nfs/dbraw/zinc/69/07/85/1053690785.db2.gz CKXABJRLCJYQKG-BLLLJJGKSA-N 0 0 337.872 4.378 20 10 EICDRN COc1cccc([C@@H](C)Nc2ccc([C@H](O)C(F)(F)F)cc2)c1O ZINC000866417841 1053721929 /nfs/dbraw/zinc/72/19/29/1053721929.db2.gz FGDHEYOAIVOVBJ-HWPZZCPQSA-N 0 0 341.329 4.170 20 10 EICDRN COc1cccc(C=C2CC[NH+](Cc3cc(OC)ccc3O)CC2)c1 ZINC000775738916 1053730731 /nfs/dbraw/zinc/73/07/31/1053730731.db2.gz AJHNEZHUKLBMHO-UHFFFAOYSA-N 0 0 339.435 4.089 20 10 EICDRN CC[C@H]([NH2+]Cc1cccc2c1CCOC2)c1cccc(Cl)c1[O-] ZINC000866478161 1053742385 /nfs/dbraw/zinc/74/23/85/1053742385.db2.gz FWEHDVULXZXNFP-SFHVURJKSA-N 0 0 331.843 4.359 20 10 EICDRN Cc1cc(Cc2nc(-c3c(C)noc3C)no2)c(C)n1-c1ccccc1 ZINC000854063180 1053749482 /nfs/dbraw/zinc/74/94/82/1053749482.db2.gz PAESFOZIYYMLFT-UHFFFAOYSA-N 0 0 348.406 4.340 20 10 EICDRN C[C@H](NC(=S)NCc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC001196845598 1053777194 /nfs/dbraw/zinc/77/71/94/1053777194.db2.gz ACAOWIUFRPRWEO-ZDUSSCGKSA-N 0 0 347.915 4.131 20 10 EICDRN O=C(/C=C/c1ccc2[nH]ccc2c1)NCc1ccc(N2CCCC2)cc1 ZINC000765623528 1053819710 /nfs/dbraw/zinc/81/97/10/1053819710.db2.gz LBLQZFRAZDCUQY-UXBLZVDNSA-N 0 0 345.446 4.098 20 10 EICDRN COc1ccc(NCc2cccc(Cl)c2O)c(Br)c1 ZINC000775756906 1053834533 /nfs/dbraw/zinc/83/45/33/1053834533.db2.gz CAUPHKYEGLXSOB-UHFFFAOYSA-N 0 0 342.620 4.429 20 10 EICDRN O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CCC(F)CC1 ZINC001197155178 1053846355 /nfs/dbraw/zinc/84/63/55/1053846355.db2.gz UDQVFWLGCALGOY-FMQUCBEESA-N 0 0 347.415 4.225 20 10 EICDRN C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197160444 1053846541 /nfs/dbraw/zinc/84/65/41/1053846541.db2.gz BAUDNXWZQIDEQI-YAYSSWGUSA-N 0 0 347.415 4.223 20 10 EICDRN O=S(=O)(N[C@@H]1C[C@H]1C1CC1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197200943 1053851413 /nfs/dbraw/zinc/85/14/13/1053851413.db2.gz RJRKIUNAWSAKED-LFGCOOLASA-N 0 0 341.436 4.179 20 10 EICDRN CC1CCN(c2cccc(NC(=O)c3cc(N)ccc3Cl)c2)CC1 ZINC000867958055 1053861681 /nfs/dbraw/zinc/86/16/81/1053861681.db2.gz GYUIDAAXFLGIGM-UHFFFAOYSA-N 0 0 343.858 4.411 20 10 EICDRN C[C@@H](NC(=O)N[C@H]1CCSc2ccc(F)cc21)c1ccccc1O ZINC000867989305 1053865106 /nfs/dbraw/zinc/86/51/06/1053865106.db2.gz HINJMJHWLJGIQX-ABAIWWIYSA-N 0 0 346.427 4.129 20 10 EICDRN Cc1cc(C(=O)NC[C@@]2(C)CC2(F)F)c(C)n1-c1ccc(F)cc1 ZINC000855801328 1053979162 /nfs/dbraw/zinc/97/91/62/1053979162.db2.gz KQTSARXUQOYCPE-QGZVFWFLSA-N 0 0 336.357 4.008 20 10 EICDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC001197749412 1053988922 /nfs/dbraw/zinc/98/89/22/1053988922.db2.gz WRJKLFUILMZCHV-UHFFFAOYSA-N 0 0 338.379 4.337 20 10 EICDRN COc1ccc(NC(=O)NCc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC001197877563 1054012064 /nfs/dbraw/zinc/01/20/64/1054012064.db2.gz XWZYNWIDVWQPAI-UHFFFAOYSA-N 0 0 349.434 4.424 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)c2ccoc2C(C)C)cc1F ZINC000795087995 1054015115 /nfs/dbraw/zinc/01/51/15/1054015115.db2.gz ZKVFDHLGKVRBQQ-UHFFFAOYSA-N 0 0 332.419 4.318 20 10 EICDRN O=C(NCCCSc1nccs1)c1ccc(F)c2ccccc12 ZINC000795094618 1054024184 /nfs/dbraw/zinc/02/41/84/1054024184.db2.gz PCEUNEOPXRWZCJ-UHFFFAOYSA-N 0 0 346.452 4.348 20 10 EICDRN Cc1ccc2c(CC(=O)NCCCSc3nccs3)coc2c1 ZINC000114375766 1054083114 /nfs/dbraw/zinc/08/31/14/1054083114.db2.gz NGXMULQQJUZLQQ-UHFFFAOYSA-N 0 0 346.477 4.039 20 10 EICDRN CCCOc1cc(C)ccc1NC(=O)N[C@H](C)c1ccccc1O ZINC001198487468 1054162900 /nfs/dbraw/zinc/16/29/00/1054162900.db2.gz VOSGLJUXJHPXQS-CQSZACIVSA-N 0 0 328.412 4.372 20 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1054408115 /nfs/dbraw/zinc/40/81/15/1054408115.db2.gz GPSBUARKOPCCDL-WCBMZHEXSA-N 0 0 326.227 4.209 20 10 EICDRN CCc1ccc(-c2ccc(-c3noc(-c4csnn4)n3)cc2)cc1 ZINC001212361692 1054410790 /nfs/dbraw/zinc/41/07/90/1054410790.db2.gz BANLRXJQHCBEIV-UHFFFAOYSA-N 0 0 334.404 4.485 20 10 EICDRN COc1ccc(-c2ccncc2)cc1CN(C)c1ccc2c(c1)OCO2 ZINC000775968016 1054413652 /nfs/dbraw/zinc/41/36/52/1054413652.db2.gz FPBYSPMEDSLAGA-UHFFFAOYSA-N 0 0 348.402 4.122 20 10 EICDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)c1ccccc1F ZINC000115854630 1054414914 /nfs/dbraw/zinc/41/49/14/1054414914.db2.gz FRGGJUVPPPTOAR-OAHLLOKOSA-N 0 0 343.446 4.103 20 10 EICDRN Oc1cccc(Br)c1CNc1ccccc1N1CCCC1 ZINC000858102514 1054416752 /nfs/dbraw/zinc/41/67/52/1054416752.db2.gz YZGQZXNCHJXASO-UHFFFAOYSA-N 0 0 347.256 4.367 20 10 EICDRN CC[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1nc(C)cs1 ZINC000858129402 1054420034 /nfs/dbraw/zinc/42/00/34/1054420034.db2.gz QAONGEMZCVZLAN-CQSZACIVSA-N 0 0 325.428 4.037 20 10 EICDRN 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/nfs/dbraw/zinc/13/24/22/1047132422.db2.gz NUUWJRAZALTFIU-QGZVFWFLSA-N 0 0 349.858 4.346 20 10 EICDRN CC[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc(Cl)c1[O-] ZINC000806140060 1047134037 /nfs/dbraw/zinc/13/40/37/1047134037.db2.gz GKDLQXRNTTTYDV-BBRMVZONSA-N 0 0 325.861 4.056 20 10 EICDRN CC[C@H]([NH2+]CCc1ccc(OC)c(F)c1)c1cccc(Cl)c1[O-] ZINC000806137161 1047136229 /nfs/dbraw/zinc/13/62/29/1047136229.db2.gz KTHHDVIYLBFZEQ-INIZCTEOSA-N 0 0 337.822 4.477 20 10 EICDRN CC[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1cccc(Cl)c1[O-] ZINC000806128722 1047147921 /nfs/dbraw/zinc/14/79/21/1047147921.db2.gz NWPSNAMFKWXCCP-ROUUACIJSA-N 0 0 332.875 4.389 20 10 EICDRN CC[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccc(Cl)c1[O-] ZINC000806128080 1047148048 /nfs/dbraw/zinc/14/80/48/1047148048.db2.gz NTGBJNLRQJPISV-HNNXBMFYSA-N 0 0 333.815 4.058 20 10 EICDRN CC[C@H]([NH2+]Cc1ccc(OC)nc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806130076 1047150969 /nfs/dbraw/zinc/15/09/69/1047150969.db2.gz PANVFHGFGJONRJ-AWEZNQCLSA-N 0 0 341.238 4.344 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc(Cl)c1[O-] ZINC000806129974 1047151325 /nfs/dbraw/zinc/15/13/25/1047151325.db2.gz NHCBRHIAQRXPRJ-HZPDHXFCSA-N 0 0 340.250 4.473 20 10 EICDRN Cc1cc(C(=O)N2CCC[C@H]2c2cc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000788237627 1047151415 /nfs/dbraw/zinc/15/14/15/1047151415.db2.gz LMSATMNDMSFIMH-FQEVSTJZSA-N 0 0 348.450 4.103 20 10 EICDRN CC[C@H]([NH2+]CCCn1cccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129819 1047151617 /nfs/dbraw/zinc/15/16/17/1047151617.db2.gz KKUVBXTVDMJLGS-AWEZNQCLSA-N 0 0 328.243 4.027 20 10 EICDRN C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cc(F)cc(F)c1[O-] ZINC000806176355 1047161660 /nfs/dbraw/zinc/16/16/60/1047161660.db2.gz KQQQJZRNKKAIDZ-QFYYESIMSA-N 0 0 341.785 4.098 20 10 EICDRN CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Cl)c1[O-] ZINC000806139287 1047162124 /nfs/dbraw/zinc/16/21/24/1047162124.db2.gz MTUICHNOKGCHHG-QMTHXVAHSA-N 0 0 345.830 4.429 20 10 EICDRN CC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000806141727 1047165239 /nfs/dbraw/zinc/16/52/39/1047165239.db2.gz LUCYNKLJVPNLMG-CQSZACIVSA-N 0 0 327.852 4.208 20 10 EICDRN CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144678 1047170593 /nfs/dbraw/zinc/17/05/93/1047170593.db2.gz YXSGJMMAGGBYIO-IINYFYTJSA-N 0 0 328.243 4.025 20 10 EICDRN CC[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1cccc(Cl)c1[O-] ZINC000806146678 1047170775 /nfs/dbraw/zinc/17/07/75/1047170775.db2.gz CHIPPFQMQRYCPO-AWEZNQCLSA-N 0 0 341.238 4.214 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1cccc(Cl)c1[O-] ZINC000806147220 1047173494 /nfs/dbraw/zinc/17/34/94/1047173494.db2.gz HAKNKIHRKGIHHR-GOPGUHFVSA-N 0 0 337.822 4.348 20 10 EICDRN CC[C@@H](Nc1ccc(OC2COC2)cc1)c1cccc(Cl)c1O ZINC000806161193 1047184571 /nfs/dbraw/zinc/18/45/71/1047184571.db2.gz NWZJVTKGKCSXOM-QGZVFWFLSA-N 0 0 333.815 4.386 20 10 EICDRN CC[C@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806162362 1047186320 /nfs/dbraw/zinc/18/63/20/1047186320.db2.gz VLFASTDLZGEKPJ-RYUDHWBXSA-N 0 0 325.758 4.054 20 10 EICDRN CC[C@@H]([NH2+]CCN1CC=CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806163191 1047188917 /nfs/dbraw/zinc/18/89/17/1047188917.db2.gz NGRUXGLSKRFXAU-OAHLLOKOSA-N 0 0 329.271 4.002 20 10 EICDRN CC(C)SCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000806168061 1047190229 /nfs/dbraw/zinc/19/02/29/1047190229.db2.gz VIDGGXGNOKWOTM-SECBINFHSA-N 0 0 336.270 4.086 20 10 EICDRN COc1ccc(N(Cc2ccccc2)Cc2cnc(Cl)cn2)cc1 ZINC000788489180 1047201567 /nfs/dbraw/zinc/20/15/67/1047201567.db2.gz WCGONNVEULPSKJ-UHFFFAOYSA-N 0 0 339.826 4.345 20 10 EICDRN CCN(CC)c1ccc(CNCc2ncc(C(F)(F)F)s2)cc1 ZINC000788508383 1047210275 /nfs/dbraw/zinc/21/02/75/1047210275.db2.gz XFVCYIXLUSYODX-UHFFFAOYSA-N 0 0 343.418 4.298 20 10 EICDRN CCNC(=O)Nc1cccc(N[C@H](C)c2cc(F)cc(F)c2O)c1C ZINC000788609147 1047230680 /nfs/dbraw/zinc/23/06/80/1047230680.db2.gz BWRWBLAMLYVUPL-LLVKDONJSA-N 0 0 349.381 4.293 20 10 EICDRN C[C@H]([NH2+]CCc1ccc(O)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000788647934 1047248189 /nfs/dbraw/zinc/24/81/89/1047248189.db2.gz NVKJWKYRQBWRNH-NSHDSACASA-N 0 0 325.330 4.010 20 10 EICDRN C[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000788621517 1047252429 /nfs/dbraw/zinc/25/24/29/1047252429.db2.gz YOAGHMJSFMPMAO-MRVPVSSYSA-N 0 0 342.729 4.083 20 10 EICDRN Cc1nc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])sc1C ZINC000788629726 1047255261 /nfs/dbraw/zinc/25/52/61/1047255261.db2.gz CZOMQPZKDGWPHO-SNVBAGLBSA-N 0 0 344.402 4.378 20 10 EICDRN CN(C)c1ccc(CNC(=O)Nc2ccc3ccccc3c2)cc1F ZINC000746754706 1047257223 /nfs/dbraw/zinc/25/72/23/1047257223.db2.gz VOWMTIMZZCTNFM-UHFFFAOYSA-N 0 0 337.398 4.367 20 10 EICDRN C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000788672886 1047269624 /nfs/dbraw/zinc/26/96/24/1047269624.db2.gz SSVZDGDXWCQIEN-ZENOOKHLSA-N 0 0 345.405 4.393 20 10 EICDRN CN(C)c1ccc(CN(C(=O)Nc2ccc(F)c(F)c2)C2CC2)cc1 ZINC000918025204 1047279573 /nfs/dbraw/zinc/27/95/73/1047279573.db2.gz IMEGOOYPRBHFJD-UHFFFAOYSA-N 0 0 345.393 4.227 20 10 EICDRN C[C@H]1CCCC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918055517 1047307669 /nfs/dbraw/zinc/30/76/69/1047307669.db2.gz CERGKUSQZLLEQB-HNAYVOBHSA-N 0 0 329.488 4.005 20 10 EICDRN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC000788778279 1047312539 /nfs/dbraw/zinc/31/25/39/1047312539.db2.gz XQRCSNOFKKKAAK-LRDDRELGSA-N 0 0 339.357 4.104 20 10 EICDRN CC[C@@H](C)[C@@H](C)N(C(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000746767489 1047317913 /nfs/dbraw/zinc/31/79/13/1047317913.db2.gz WYZQKPXNJCQDQS-GDBMZVCRSA-N 0 0 331.504 4.170 20 10 EICDRN C[C@@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ncnn1C ZINC000788885977 1047327511 /nfs/dbraw/zinc/32/75/11/1047327511.db2.gz QCIWBWXCFKMKTN-CYBMUJFWSA-N 0 0 349.398 4.113 20 10 EICDRN COc1ccc2cc(NC(=O)N(C)Cc3ccccc3O)ccc2c1 ZINC000806617594 1047328518 /nfs/dbraw/zinc/32/85/18/1047328518.db2.gz PVADPBSYNASCRA-UHFFFAOYSA-N 0 0 336.391 4.218 20 10 EICDRN Cc1cc(C(=O)OCCCCOC(C)(C)C)c(C)n1-c1ccccn1 ZINC000789017140 1047353936 /nfs/dbraw/zinc/35/39/36/1047353936.db2.gz BIVVUIWRMWIFPP-UHFFFAOYSA-N 0 0 344.455 4.241 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](C)c2ccc(F)cc2)cc1 ZINC000918160223 1047363709 /nfs/dbraw/zinc/36/37/09/1047363709.db2.gz HZECVIYPZMXDQL-MRXNPFEDSA-N 0 0 342.458 4.482 20 10 EICDRN CCN(Cc1cccs1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000918229897 1047384655 /nfs/dbraw/zinc/38/46/55/1047384655.db2.gz ULRFDULCWYFNMF-UHFFFAOYSA-N 0 0 345.512 4.326 20 10 EICDRN Cc1cc(Br)cc(CNc2ccc(Cl)cn2)c1O ZINC000789558735 1047442993 /nfs/dbraw/zinc/44/29/93/1047442993.db2.gz URSFEOSATROBIR-UHFFFAOYSA-N 0 0 327.609 4.124 20 10 EICDRN COc1c(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])oc2ccccc21 ZINC000789584829 1047443432 /nfs/dbraw/zinc/44/34/32/1047443432.db2.gz VHFQFARETRDFQC-UHFFFAOYSA-N 0 0 335.762 4.229 20 10 EICDRN Cc1cc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1N(C)C ZINC001170527726 1047475213 /nfs/dbraw/zinc/47/52/13/1047475213.db2.gz QNVLIOZIYSHKLR-FQEVSTJZSA-N 0 0 344.886 4.288 20 10 EICDRN COc1cc(O)c(CNc2cccc(OC(C)(C)C)c2)cc1OC ZINC000897755151 1047476524 /nfs/dbraw/zinc/47/65/24/1047476524.db2.gz WRSQRNUECUYRSE-UHFFFAOYSA-N 0 0 331.412 4.199 20 10 EICDRN c1ccn(-c2ccc(-c3nc(-c4nccc5[nH]ccc54)no3)cc2)c1 ZINC000789872611 1047479698 /nfs/dbraw/zinc/47/96/98/1047479698.db2.gz MMJKKOBXUDUBTL-UHFFFAOYSA-N 0 0 327.347 4.071 20 10 EICDRN Cc1cc(C(=O)NC[C@@H]2CCCSC2)c(C)n1-c1ccc(F)cc1 ZINC000807724174 1047490074 /nfs/dbraw/zinc/49/00/74/1047490074.db2.gz ZSCVCCHKZDESJQ-HNNXBMFYSA-N 0 0 346.471 4.106 20 10 EICDRN COCc1cccc(/C=C2/SC(=S)N(c3ccsc3)C2=O)c1 ZINC000790108178 1047513554 /nfs/dbraw/zinc/51/35/54/1047513554.db2.gz NTHDQRVFGQHHHI-RIYZIHGNSA-N 0 0 347.486 4.300 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(SC)oc1C ZINC000824234441 1047847257 /nfs/dbraw/zinc/84/72/57/1047847257.db2.gz KAVKCTSEKLDZGS-UHFFFAOYSA-N 0 0 332.469 4.038 20 10 EICDRN C[N@H+](Cc1ccccc1O)Cc1cc(Br)c(F)cc1F ZINC001136855263 1047855085 /nfs/dbraw/zinc/85/50/85/1047855085.db2.gz CRJGDGJPTIZATM-UHFFFAOYSA-N 0 0 342.183 4.065 20 10 EICDRN CC1(C)Cc2cc(/C=C3\SC(=S)N(C4CCC4)C3=O)ccc2O1 ZINC000814185665 1047880445 /nfs/dbraw/zinc/88/04/45/1047880445.db2.gz MSBKDSHSFYOMAL-DHDCSXOGSA-N 0 0 345.489 4.154 20 10 EICDRN CCN1C(=O)/C(=C/C(C)=C/c2ccccc2COC)SC1=S ZINC000814186552 1047883157 /nfs/dbraw/zinc/88/31/57/1047883157.db2.gz IDQUNZSRVVBMFL-QFPSWVGZSA-N 0 0 333.478 4.000 20 10 EICDRN CCC[C@@H](C)NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000919653519 1047922791 /nfs/dbraw/zinc/92/27/91/1047922791.db2.gz HBISJCMVDLSSLD-MRXNPFEDSA-N 0 0 343.471 4.246 20 10 EICDRN CCCCCNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000919653719 1047923342 /nfs/dbraw/zinc/92/33/42/1047923342.db2.gz YOBFLGFIRFPCPS-UHFFFAOYSA-N 0 0 343.471 4.248 20 10 EICDRN Cc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3F)C2=O)o1 ZINC000814277471 1047932970 /nfs/dbraw/zinc/93/29/70/1047932970.db2.gz JCEDWMCPPIHEDB-NTUHNPAUSA-N 0 0 337.372 4.272 20 10 EICDRN CC(C)Cn1ncc(NCc2ccc(N(C)C)c(F)c2)c1C1CC1 ZINC000808431896 1047943618 /nfs/dbraw/zinc/94/36/18/1047943618.db2.gz PDUROENCIVHFLY-UHFFFAOYSA-N 0 0 330.451 4.234 20 10 EICDRN O=c1[nH]c(CSc2nccs2)nc2cc(C(F)(F)F)ccc12 ZINC000919675906 1047963775 /nfs/dbraw/zinc/96/37/75/1047963775.db2.gz WYFHUFKPHDGAAF-UHFFFAOYSA-N 0 0 343.355 4.103 20 10 EICDRN CC(C)[C@H](Sc1nccs1)C(=O)NC1CCCCCCC1 ZINC000919677037 1047969182 /nfs/dbraw/zinc/96/91/82/1047969182.db2.gz WEBRNJHLBPZCIT-AWEZNQCLSA-N 0 0 326.531 4.489 20 10 EICDRN CC[C@@](C)(NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)C1CC1 ZINC001131371040 1048014942 /nfs/dbraw/zinc/01/49/42/1048014942.db2.gz XPLDDIIATGABHT-OAQYLSRUSA-N 0 0 342.483 4.213 20 10 EICDRN CCCN(CCC)c1ccc(CN[C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000825017719 1048019261 /nfs/dbraw/zinc/01/92/61/1048019261.db2.gz YCEFWUSIRFPUIA-VQIMIIECSA-N 0 0 326.488 4.305 20 10 EICDRN CO[C@H](C)c1cccc(NCc2ccc(Br)cc2O)c1 ZINC000825012475 1048019989 /nfs/dbraw/zinc/01/99/89/1048019989.db2.gz AVVPLEKAWJNLTB-LLVKDONJSA-N 0 0 336.229 4.474 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045425 1048025236 /nfs/dbraw/zinc/02/52/36/1048025236.db2.gz DDJVCWPQDVKNHS-GFCCVEGCSA-N 0 0 345.723 4.379 20 10 EICDRN Cc1cc(Cl)cc([C@@H](C)Nc2cccc(N3CCOCC3)c2)c1O ZINC000808709233 1048057223 /nfs/dbraw/zinc/05/72/23/1048057223.db2.gz QPZURUGFBVDGCB-CQSZACIVSA-N 0 0 346.858 4.364 20 10 EICDRN CCOc1ccc(N[C@@H](C)c2cc(Cl)cc(C)c2O)cc1CO ZINC000808712596 1048058078 /nfs/dbraw/zinc/05/80/78/1048058078.db2.gz FVWVWQWXLKYPKV-LBPRGKRZSA-N 0 0 335.831 4.418 20 10 EICDRN Cc1cc(Cl)cc([C@H](C)Nc2cccc(C(=O)NC3CC3)c2)c1O ZINC000808713115 1048060871 /nfs/dbraw/zinc/06/08/71/1048060871.db2.gz LNUDOHSZTHLLNG-LBPRGKRZSA-N 0 0 344.842 4.419 20 10 EICDRN CC[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(F)cc1[O-] ZINC000808727981 1048076184 /nfs/dbraw/zinc/07/61/84/1048076184.db2.gz NDIHIOQXEAKRQW-YVWKXTFCSA-N 0 0 329.415 4.492 20 10 EICDRN Cc1nc(C(C)(C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])sc1C ZINC000776177442 1048174820 /nfs/dbraw/zinc/17/48/20/1048174820.db2.gz NTKJTHGPRGUQCO-UHFFFAOYSA-N 0 0 328.840 4.283 20 10 EICDRN Cn1ccc(CNc2cc(Cl)ccc2C(=O)c2ccc(F)cc2)n1 ZINC000809194827 1048266055 /nfs/dbraw/zinc/26/60/55/1048266055.db2.gz GOJZRVZFCSBLIR-UHFFFAOYSA-N 0 0 343.789 4.056 20 10 EICDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1C[C@@H]1C1CCCC1 ZINC000844423077 1048321326 /nfs/dbraw/zinc/32/13/26/1048321326.db2.gz MRSKLPGXRKSGNI-HZPDHXFCSA-N 0 0 346.434 4.161 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000815152203 1048351578 /nfs/dbraw/zinc/35/15/78/1048351578.db2.gz OWEHQGFXAKDHJC-UHFFFAOYSA-N 0 0 336.140 4.406 20 10 EICDRN CCCC(=O)C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001144040841 1048374183 /nfs/dbraw/zinc/37/41/83/1048374183.db2.gz PUKLCBCLXYIIGM-VOTSOKGWSA-N 0 0 336.435 4.231 20 10 EICDRN CC[C@H](C)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000920048786 1048395570 /nfs/dbraw/zinc/39/55/70/1048395570.db2.gz KYYHXLMCJOQKCC-DLBZAZTESA-N 0 0 331.504 4.253 20 10 EICDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000920051745 1048413862 /nfs/dbraw/zinc/41/38/62/1048413862.db2.gz QVDWACZNJGNEKR-RBUKOAKNSA-N 0 0 338.451 4.260 20 10 EICDRN Cc1cc(CCNC(=O)[C@@H]2C[C@H]2C(C)(C)C)c(C)n1-c1ccccc1 ZINC001131785290 1048433381 /nfs/dbraw/zinc/43/33/81/1048433381.db2.gz NVVDNOMMYOQZHX-WOJBJXKFSA-N 0 0 338.495 4.435 20 10 EICDRN COc1cc(Cl)cc(CNc2cnn(C)c2-c2ccccc2)c1O ZINC000809726264 1048499729 /nfs/dbraw/zinc/49/97/29/1048499729.db2.gz LHQSHDJMTTTXFD-UHFFFAOYSA-N 0 0 343.814 4.067 20 10 EICDRN Cc1cc(O)c(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc1C ZINC000809774561 1048505101 /nfs/dbraw/zinc/50/51/01/1048505101.db2.gz OPJKOFQBRLHTAN-UHFFFAOYSA-N 0 0 326.223 4.311 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000809776130 1048506393 /nfs/dbraw/zinc/50/63/93/1048506393.db2.gz VYBGEZFDGATXQY-UHFFFAOYSA-N 0 0 348.233 4.175 20 10 EICDRN CCC(CC)(CCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815585417 1048523430 /nfs/dbraw/zinc/52/34/30/1048523430.db2.gz HNQJSHUGKIDEAN-LBPRGKRZSA-N 0 0 333.394 4.250 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(C(F)(F)F)c1[O-] ZINC000815589288 1048524517 /nfs/dbraw/zinc/52/45/17/1048524517.db2.gz ODSXCBUDGWNSQJ-BTQDYEIMSA-N 0 0 329.362 4.019 20 10 EICDRN C[C@@H](CCOCc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809782268 1048530307 /nfs/dbraw/zinc/53/03/07/1048530307.db2.gz MVNTYTHGKUGXSI-ZDUSSCGKSA-N 0 0 337.822 4.270 20 10 EICDRN COc1cc(F)cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000815599923 1048531843 /nfs/dbraw/zinc/53/18/43/1048531843.db2.gz GAKZRRJJRAAJEK-SNVBAGLBSA-N 0 0 343.320 4.410 20 10 EICDRN C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815617869 1048544082 /nfs/dbraw/zinc/54/40/82/1048544082.db2.gz XBTDOHYFKIGSKZ-MZPVMMEZSA-N 0 0 343.389 4.267 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815617546 1048544431 /nfs/dbraw/zinc/54/44/31/1048544431.db2.gz PPUOETXKUKVWJE-NVBFEUDRSA-N 0 0 329.362 4.019 20 10 EICDRN C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815626029 1048551803 /nfs/dbraw/zinc/55/18/03/1048551803.db2.gz SLWMRDLJBZTOPA-MRVPVSSYSA-N 0 0 327.268 4.404 20 10 EICDRN CCc1nc(C)c(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])o1 ZINC000815629038 1048554286 /nfs/dbraw/zinc/55/42/86/1048554286.db2.gz QYZUGIBVFVWJEQ-SECBINFHSA-N 0 0 328.334 4.121 20 10 EICDRN Cc1cc(Cl)cc([C@@H](C)Nc2ccc(F)c(NC(N)=O)c2)c1O ZINC000815631955 1048555963 /nfs/dbraw/zinc/55/59/63/1048555963.db2.gz YAKWMPOUSREDET-SECBINFHSA-N 0 0 337.782 4.157 20 10 EICDRN C[C@@H](Nc1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1O ZINC000815607618 1048557687 /nfs/dbraw/zinc/55/76/87/1048557687.db2.gz DFLUBUGOFDWALH-LLVKDONJSA-N 0 0 325.330 4.119 20 10 EICDRN CC[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccc(F)cc1[O-] ZINC000815637076 1048565983 /nfs/dbraw/zinc/56/59/83/1048565983.db2.gz LVUBHCYCZWXRIG-AWEZNQCLSA-N 0 0 342.336 4.229 20 10 EICDRN [O-]c1cc(F)c(Br)cc1C[NH+]1CCC2(CCC2)CC1 ZINC001144298415 1048574340 /nfs/dbraw/zinc/57/43/40/1048574340.db2.gz DCJWMXSDFRFQOE-UHFFFAOYSA-N 0 0 328.225 4.060 20 10 EICDRN CC[C@H]([NH2+]CCc1nccnc1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000815651315 1048575720 /nfs/dbraw/zinc/57/57/20/1048575720.db2.gz PUUPHDHWXMPUOC-AWEZNQCLSA-N 0 0 340.254 4.081 20 10 EICDRN CC1(C)CC(CC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000815796581 1048605970 /nfs/dbraw/zinc/60/59/70/1048605970.db2.gz BZLPKEYQLSMISI-UHFFFAOYSA-N 0 0 327.424 4.340 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2cc(C)ccc2n1 ZINC000815797089 1048606273 /nfs/dbraw/zinc/60/62/73/1048606273.db2.gz AAMDNXAXYCUGDF-UHFFFAOYSA-N 0 0 334.419 4.301 20 10 EICDRN CC(F)(F)c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000815835647 1048613976 /nfs/dbraw/zinc/61/39/76/1048613976.db2.gz AABRHPPNGBRWPF-UHFFFAOYSA-N 0 0 345.389 4.313 20 10 EICDRN Cc1cc(C(=O)OCc2nc(C)c(C)o2)c(C)n1-c1ccccc1C ZINC000920263902 1048628841 /nfs/dbraw/zinc/62/88/41/1048628841.db2.gz QJFCAFLVFDIHLW-UHFFFAOYSA-N 0 0 338.407 4.364 20 10 EICDRN Oc1ccc(Br)cc1CNc1ccccc1-c1ncc[nH]1 ZINC001171178210 1048650936 /nfs/dbraw/zinc/65/09/36/1048650936.db2.gz 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/nfs/dbraw/zinc/16/39/82/1049163982.db2.gz VLANAEWHDVPWGN-NSHDSACASA-N 0 0 338.423 4.273 20 10 EICDRN O=C1/C(=C\c2cscc2C(F)(F)F)SC(=S)N1C1CC1 ZINC000811624768 1049167738 /nfs/dbraw/zinc/16/77/38/1049167738.db2.gz QABFHVNCDPSDCP-YCRREMRBSA-N 0 0 335.397 4.131 20 10 EICDRN CCC(C)(C)C1CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC001136150873 1049181275 /nfs/dbraw/zinc/18/12/75/1049181275.db2.gz JOCJBTYGRIIHQZ-SDQBBNPISA-N 0 0 331.456 4.222 20 10 EICDRN CCc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2O)cs1 ZINC001147713490 1049205270 /nfs/dbraw/zinc/20/52/70/1049205270.db2.gz DFXNOKFIMLQGLQ-UHFFFAOYSA-N 0 0 346.839 4.148 20 10 EICDRN Cc1ccc2c(c1)/C(=C/c1cnc(-c3ccncc3)s1)C(=O)N2C ZINC000811701422 1049243497 /nfs/dbraw/zinc/24/34/97/1049243497.db2.gz WDCLDJRCNBURMO-YBEGLDIGSA-N 0 0 333.416 4.031 20 10 EICDRN Cc1ccc(O)c(CNC(=O)c2ccccc2SC(F)(F)F)c1 ZINC001147957847 1049248488 /nfs/dbraw/zinc/24/84/88/1049248488.db2.gz YMCXLWZLQUDLGY-UHFFFAOYSA-N 0 0 341.354 4.243 20 10 EICDRN CC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)cc1 ZINC001148307670 1049293654 /nfs/dbraw/zinc/29/36/54/1049293654.db2.gz UIQHBBKWBXDQOK-UHFFFAOYSA-N 0 0 344.414 4.318 20 10 EICDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@@H](C)C3)c2C)cc1 ZINC001136204159 1049294907 /nfs/dbraw/zinc/29/49/07/1049294907.db2.gz GGUOVJDERPWXGD-PBHICJAKSA-N 0 0 340.467 4.411 20 10 EICDRN Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000772993027 1049354938 /nfs/dbraw/zinc/35/49/38/1049354938.db2.gz DWZIWWKMHRPVGS-KRWDZBQOSA-N 0 0 340.467 4.097 20 10 EICDRN COc1cccc([C@H](C)CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000772995352 1049386668 /nfs/dbraw/zinc/38/66/68/1049386668.db2.gz APORAEJVIWDPAL-CVEARBPZSA-N 0 0 340.467 4.132 20 10 EICDRN C[C@H](Cc1ccco1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000819978611 1049394079 /nfs/dbraw/zinc/39/40/79/1049394079.db2.gz FJKHYJFLVDOXHC-QGZVFWFLSA-N 0 0 340.467 4.107 20 10 EICDRN C/C=C(/C=C\C(=O)Nc1c(-c2ccccn2)nc2ccccn21)CC ZINC000820002631 1049409532 /nfs/dbraw/zinc/40/95/32/1049409532.db2.gz SVBGWATZMATELQ-JIVMUAAFSA-N 0 0 332.407 4.247 20 10 EICDRN C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773009754 1049520805 /nfs/dbraw/zinc/52/08/05/1049520805.db2.gz QPZDPIXNXWWRIQ-CVEARBPZSA-N 0 0 342.458 4.338 20 10 EICDRN CSc1ccc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773010451 1049523194 /nfs/dbraw/zinc/52/31/94/1049523194.db2.gz AHVIOKNLTSYODI-CQSZACIVSA-N 0 0 328.481 4.274 20 10 EICDRN C[C@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000773012253 1049526943 /nfs/dbraw/zinc/52/69/43/1049526943.db2.gz GQFLIIDDJLCKLH-CABCVRRESA-N 0 0 328.431 4.263 20 10 EICDRN CC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773017396 1049529516 /nfs/dbraw/zinc/52/95/16/1049529516.db2.gz GKHIMYIOWNVLCV-MRXNPFEDSA-N 0 0 340.467 4.132 20 10 EICDRN C[C@H](NC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(N(C)C)cc1 ZINC000773017961 1049531083 /nfs/dbraw/zinc/53/10/83/1049531083.db2.gz JONZRWMVQPYEKQ-YZVOILCLSA-N 0 0 340.467 4.279 20 10 EICDRN C[C@H](NC(=O)C(C)(C)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773019914 1049535098 /nfs/dbraw/zinc/53/50/98/1049535098.db2.gz RCBFYHXCPLGBFN-AWEZNQCLSA-N 0 0 328.431 4.047 20 10 EICDRN CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(F)cc1[O-] ZINC000812735672 1049554329 /nfs/dbraw/zinc/55/43/29/1049554329.db2.gz FENXGMRFENBIME-KDOFPFPSSA-N 0 0 346.421 4.238 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cccc(Cl)c1[O-] ZINC000812737509 1049557371 /nfs/dbraw/zinc/55/73/71/1049557371.db2.gz JIQCPUCJJZBAIW-MRXNPFEDSA-N 0 0 329.831 4.173 20 10 EICDRN Cc1ncn(-c2ccc(NCc3cc(Cl)ccc3O)cc2)c1C ZINC000812784552 1049576932 /nfs/dbraw/zinc/57/69/32/1049576932.db2.gz VVWNVHFIAOLZCJ-UHFFFAOYSA-N 0 0 327.815 4.460 20 10 EICDRN COCCCCc1cccnc1NCc1cc(Cl)cc(F)c1O ZINC000812808298 1049598236 /nfs/dbraw/zinc/59/82/36/1049598236.db2.gz BPYFNXOIAFTOSA-UHFFFAOYSA-N 0 0 338.810 4.161 20 10 EICDRN CCC1CCC(N(C(=O)c2ccc(N=NC(N)=O)cc2)C2CC2)CC1 ZINC001136427173 1049617832 /nfs/dbraw/zinc/61/78/32/1049617832.db2.gz DCYNUNKTTFFQKK-UHFFFAOYSA-N 0 0 342.443 4.422 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)cc(F)cc1C ZINC001136429095 1049619088 /nfs/dbraw/zinc/61/90/88/1049619088.db2.gz ZEDVGNPCEUPNGM-UHFFFAOYSA-N 0 0 328.431 4.171 20 10 EICDRN CC(C)c1scnc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000812878968 1049620953 /nfs/dbraw/zinc/62/09/53/1049620953.db2.gz KYKCDGWFIYUTCF-UHFFFAOYSA-N 0 0 343.496 4.137 20 10 EICDRN CC(C)(C)c1nc2nc[nH]c2c(NCc2cc3ccccc3cc2O)n1 ZINC001171402443 1049622773 /nfs/dbraw/zinc/62/27/73/1049622773.db2.gz LWWKXHSYPKLHAW-UHFFFAOYSA-N 0 0 347.422 4.073 20 10 EICDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)[C@H](C)C(C)(C)C)c1 ZINC001136492109 1049683266 /nfs/dbraw/zinc/68/32/66/1049683266.db2.gz RDKOPONUGANWFE-MRXNPFEDSA-N 0 0 340.467 4.413 20 10 EICDRN Cc1ccc(C[C@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773317308 1049703856 /nfs/dbraw/zinc/70/38/56/1049703856.db2.gz UWRBZTIOHXIXQJ-ZFWWWQNUSA-N 0 0 345.512 4.114 20 10 EICDRN CC(C)(F)CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000822104007 1049732234 /nfs/dbraw/zinc/73/22/34/1049732234.db2.gz WYJGEIDEVSDZKN-UHFFFAOYSA-N 0 0 336.451 4.375 20 10 EICDRN CC1(C)CCC(C)(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001171565497 1049758356 /nfs/dbraw/zinc/75/83/56/1049758356.db2.gz RIJZCFDPTLDNSU-UHFFFAOYSA-N 0 0 333.453 4.401 20 10 EICDRN CCOCCOCc1cccc(N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000179784025 1049759646 /nfs/dbraw/zinc/75/96/46/1049759646.db2.gz GQKVPMXLWUSJJT-KRWDZBQOSA-N 0 0 342.483 4.479 20 10 EICDRN O=C(NCCCC1CCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000822444759 1049763870 /nfs/dbraw/zinc/76/38/70/1049763870.db2.gz HOKKSDZISNZTIQ-UHFFFAOYSA-N 0 0 342.439 4.277 20 10 EICDRN C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1O ZINC001171716839 1049783593 /nfs/dbraw/zinc/78/35/93/1049783593.db2.gz AMSIAPBFUKQBLY-OAHLLOKOSA-N 0 0 325.452 4.500 20 10 EICDRN Cc1cccc(-c2cncc(C(=O)N[C@H](C)c3ccccc3O)c2)c1 ZINC001171722700 1049783762 /nfs/dbraw/zinc/78/37/62/1049783762.db2.gz AYBAHNCQCRZAPQ-OAHLLOKOSA-N 0 0 332.403 4.254 20 10 EICDRN CN(Cc1ccccc1O)C(=O)CCSc1cccc(Cl)c1 ZINC000813480227 1049784530 /nfs/dbraw/zinc/78/45/30/1049784530.db2.gz JJINGKIMDXICIV-UHFFFAOYSA-N 0 0 335.856 4.186 20 10 EICDRN Nc1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1 ZINC000237856874 1049786237 /nfs/dbraw/zinc/78/62/37/1049786237.db2.gz RJHXZXRTIVKTLX-UHFFFAOYSA-N 0 0 326.343 4.018 20 10 EICDRN C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccccc1O ZINC001171730219 1049786743 /nfs/dbraw/zinc/78/67/43/1049786743.db2.gz MJMGFKKYLZXVST-JTQLQIEISA-N 0 0 330.434 4.068 20 10 EICDRN C[C@H](NC(=O)C1(c2ccccc2)CC2(CCC2)C1)c1ccccc1O ZINC001171729681 1049786819 /nfs/dbraw/zinc/78/68/19/1049786819.db2.gz GDLXIXNTYXXXRC-INIZCTEOSA-N 0 0 335.447 4.472 20 10 EICDRN COc1ccc(N(C)CC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC001171746082 1049790042 /nfs/dbraw/zinc/79/00/42/1049790042.db2.gz LXIMVCLOZWQWPN-UHFFFAOYSA-N 0 0 339.222 4.077 20 10 EICDRN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822959475 1049811778 /nfs/dbraw/zinc/81/17/78/1049811778.db2.gz LOSBUHPLSFAIGQ-GXTWGEPZSA-N 0 0 330.432 4.136 20 10 EICDRN Nc1ccc(CC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000237913815 1049816818 /nfs/dbraw/zinc/81/68/18/1049816818.db2.gz QCARFYTXNSPDPK-LJQANCHMSA-N 0 0 328.843 4.122 20 10 EICDRN CC(C)([NH2+]Cc1cccc(Br)c1[O-])c1ccccc1F ZINC000813791438 1049817155 /nfs/dbraw/zinc/81/71/55/1049817155.db2.gz ASECISOICRZURU-UHFFFAOYSA-N 0 0 338.220 4.319 20 10 EICDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H]1OCCc2sccc21 ZINC000813792533 1049817524 /nfs/dbraw/zinc/81/75/24/1049817524.db2.gz ABJMOFWIBVBHHU-JDNHERCYSA-N 0 0 341.835 4.038 20 10 EICDRN CC[C@@H]([NH2+]CCSCC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806150224 1049818750 /nfs/dbraw/zinc/81/87/50/1049818750.db2.gz NVEQQAYHVOWNTN-LLVKDONJSA-N 0 0 327.799 4.382 20 10 EICDRN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(C2CC2)c1 ZINC000823218816 1049830408 /nfs/dbraw/zinc/83/04/08/1049830408.db2.gz RJZUGERZLSAACT-LBPRGKRZSA-N 0 0 336.395 4.217 20 10 EICDRN CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000772870681 1049842688 /nfs/dbraw/zinc/84/26/88/1049842688.db2.gz YNMWGJJQUACYHX-CTNGQTDRSA-N 0 0 328.500 4.318 20 10 EICDRN COCCOc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000180143563 1049850541 /nfs/dbraw/zinc/85/05/41/1049850541.db2.gz QUABTVSLUKBBDI-AWEZNQCLSA-N 0 0 332.419 4.090 20 10 EICDRN Cc1cc(C(=O)NCC[C@H]2CCCC[C@@H]2C)c(C)n1-c1ccccn1 ZINC001136790666 1049884297 /nfs/dbraw/zinc/88/42/97/1049884297.db2.gz BSRSBNIXEWXFPU-MAUKXSAKSA-N 0 0 339.483 4.435 20 10 EICDRN CC(C)(C)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180675574 1049925913 /nfs/dbraw/zinc/92/59/13/1049925913.db2.gz GIGRYLUMVMNAKY-RDELFYGPSA-N 0 0 325.408 4.015 20 10 EICDRN Cc1cc(C(=O)N(C)Cc2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000068936533 1049934627 /nfs/dbraw/zinc/93/46/27/1049934627.db2.gz RHSVHCOOGXMIPQ-UHFFFAOYSA-N 0 0 326.371 4.098 20 10 EICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1Nc1ccccc1 ZINC000181246331 1050069263 /nfs/dbraw/zinc/06/92/63/1050069263.db2.gz PPUKMXCIVUVUEC-ACCUITESSA-N 0 0 346.386 4.493 20 10 EICDRN C[C@@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccc(N(C)C)cc1 ZINC000773615390 1050159779 /nfs/dbraw/zinc/15/97/79/1050159779.db2.gz XATCQMZIIUQRCZ-DYESRHJHSA-N 0 0 341.499 4.346 20 10 EICDRN C[C@H](NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1)c1ccc(N(C)C)cc1 ZINC000773615364 1050159989 /nfs/dbraw/zinc/15/99/89/1050159989.db2.gz DHPZODCPHOPAIQ-GQIGUUNPSA-N 0 0 329.488 4.035 20 10 EICDRN CN(Cc1ccccc1O)c1ccnc(-c2cccc(Cl)c2)n1 ZINC001185838578 1050170353 /nfs/dbraw/zinc/17/03/53/1050170353.db2.gz KFYJDENUJQKXGH-UHFFFAOYSA-N 0 0 325.799 4.139 20 10 EICDRN CC(C)[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)N1CCC(C)CC1 ZINC001177256429 1050174779 /nfs/dbraw/zinc/17/47/79/1050174779.db2.gz FZKRPIYLURFJCZ-INIZCTEOSA-N 0 0 342.886 4.031 20 10 EICDRN COc1ccc(-c2noc(-c3nnsc3C(C)C)n2)c(Cl)c1 ZINC001212687437 1050184282 /nfs/dbraw/zinc/18/42/82/1050184282.db2.gz SVNBFVXIWAERGY-UHFFFAOYSA-N 0 0 336.804 4.041 20 10 EICDRN CC(C)c1snnc1-c1nc(-c2cc(C(C)(C)C)ccn2)no1 ZINC001212687339 1050184592 /nfs/dbraw/zinc/18/45/92/1050184592.db2.gz NZJXPJYCUBCXDZ-UHFFFAOYSA-N 0 0 329.429 4.071 20 10 EICDRN O=C(NCc1ccccc1O)c1cccc(Cc2ccc(F)cc2)c1 ZINC001185939088 1050189313 /nfs/dbraw/zinc/18/93/13/1050189313.db2.gz QXDSKWJOSUEKST-UHFFFAOYSA-N 0 0 335.378 4.052 20 10 EICDRN CC(=O)Nc1ccc(NCc2cc(C)cc(Br)c2O)cc1 ZINC001177363091 1050202792 /nfs/dbraw/zinc/20/27/92/1050202792.db2.gz JKJMIDWQIHEOCU-UHFFFAOYSA-N 0 0 349.228 4.034 20 10 EICDRN C[C@H](NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773354358 1050205410 /nfs/dbraw/zinc/20/54/10/1050205410.db2.gz XFXDPAAVCNCGKL-IKGGRYGDSA-N 0 0 339.483 4.305 20 10 EICDRN CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773360007 1050288336 /nfs/dbraw/zinc/28/83/36/1050288336.db2.gz BGAXQZXGYYFICL-BMGDILEWSA-N 0 0 349.544 4.177 20 10 EICDRN Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186499050 1050341210 /nfs/dbraw/zinc/34/12/10/1050341210.db2.gz SHOQEAOWCZSWIK-UHFFFAOYSA-N 0 0 333.434 4.025 20 10 EICDRN Oc1c(F)cc(Br)cc1CNc1ccc2ncccc2c1 ZINC001178045926 1050363501 /nfs/dbraw/zinc/36/35/01/1050363501.db2.gz AJVJCNIFBZXGGT-UHFFFAOYSA-N 0 0 347.187 4.454 20 10 EICDRN Cc1ccc(CNc2ccc3c(c2)ncn3C)cc1Br ZINC001178037487 1050373275 /nfs/dbraw/zinc/37/32/75/1050373275.db2.gz MMYKRLHURZDGJF-UHFFFAOYSA-N 0 0 330.229 4.256 20 10 EICDRN Cc1csc2nc(C)nc(NCc3ccc4cccnc4c3O)c12 ZINC001186748662 1050404797 /nfs/dbraw/zinc/40/47/97/1050404797.db2.gz UPYGLRLEXKCREP-UHFFFAOYSA-N 0 0 336.420 4.174 20 10 EICDRN COc1cc(N(C)CC[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000775056644 1050432078 /nfs/dbraw/zinc/43/20/78/1050432078.db2.gz KMMPIUBHQGUSGK-OAHLLOKOSA-N 0 0 329.440 4.342 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCNc1cccc(F)c1 ZINC001178301432 1050432768 /nfs/dbraw/zinc/43/27/68/1050432768.db2.gz YWBZNNRGGSZGOX-UHFFFAOYSA-N 0 0 343.229 4.430 20 10 EICDRN CC(C)Oc1ccc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC001178259364 1050435265 /nfs/dbraw/zinc/43/52/65/1050435265.db2.gz HCSQJOHFKXNBFV-UHFFFAOYSA-N 0 0 325.456 4.471 20 10 EICDRN Cc1cc(O)c(C[NH2+]Cc2cccc(OC(C)(C)C)n2)c(Cl)c1 ZINC001178386525 1050449289 /nfs/dbraw/zinc/44/92/89/1050449289.db2.gz AUHZPHXMRXQFEO-UHFFFAOYSA-N 0 0 334.847 4.216 20 10 EICDRN Oc1c(CNc2ccc(C3CC3)nc2)cc(Cl)c2cccnc12 ZINC001168526275 1050452277 /nfs/dbraw/zinc/45/22/77/1050452277.db2.gz UVNSTXQJMGJFJF-UHFFFAOYSA-N 0 0 325.799 4.478 20 10 EICDRN C[C@]1(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1(F)F ZINC001187072210 1050471871 /nfs/dbraw/zinc/47/18/71/1050471871.db2.gz DABCKUGJALKMRG-QGZVFWFLSA-N 0 0 346.333 4.283 20 10 EICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1ccncc1 ZINC000182184148 1050518909 /nfs/dbraw/zinc/51/89/09/1050518909.db2.gz QIPBHLJITRWASZ-QGZVFWFLSA-N 0 0 346.430 4.120 20 10 EICDRN CC[C@H](CC1CCCCC1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773764100 1050531125 /nfs/dbraw/zinc/53/11/25/1050531125.db2.gz WGVKRLJQMSEHTK-RHSMWYFYSA-N 0 0 333.472 4.142 20 10 EICDRN CC[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(N(C)C)cc1 ZINC000182202684 1050541957 /nfs/dbraw/zinc/54/19/57/1050541957.db2.gz VIYJFHDVGPSBHG-LEWJYISDSA-N 0 0 340.467 4.484 20 10 EICDRN Cc1cc2cc(NC/C=C\c3ccc(N(C)C)cc3)ccc2n(C)c1=O ZINC001178795231 1050555002 /nfs/dbraw/zinc/55/50/02/1050555002.db2.gz IWEOAWMPUFYLHH-WAYWQWQTSA-N 0 0 347.462 4.038 20 10 EICDRN Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(C)c(O)c1O ZINC000182293587 1050595551 /nfs/dbraw/zinc/59/55/51/1050595551.db2.gz BBLQWSVHZSCLTB-UHFFFAOYSA-N 0 0 334.375 4.029 20 10 EICDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC001179021375 1050603341 /nfs/dbraw/zinc/60/33/41/1050603341.db2.gz VDBHUJIDGGMOTN-QWRGUYRKSA-N 0 0 336.632 4.178 20 10 EICDRN Cc1nc2scc(CC(C)C)c2c(NCc2c(O)cccc2O)n1 ZINC001187717882 1050606161 /nfs/dbraw/zinc/60/61/61/1050606161.db2.gz YLALZEZAWWMFEW-UHFFFAOYSA-N 0 0 343.452 4.222 20 10 EICDRN COc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)c(OC)c1 ZINC001173892329 1050610065 /nfs/dbraw/zinc/61/00/65/1050610065.db2.gz RXEJDCBFHMNZGS-UHFFFAOYSA-N 0 0 335.407 4.338 20 10 EICDRN C[C@@H](C(=O)NCc1c(O)ccc2ccccc21)c1c(F)cccc1F ZINC001179032255 1050620299 /nfs/dbraw/zinc/62/02/99/1050620299.db2.gz 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[O-]c1c(F)cc(Br)cc1C[NH2+]C[C@H]1C[C@H]1C1CCCC1 ZINC001179815994 1050787057 /nfs/dbraw/zinc/78/70/57/1050787057.db2.gz JNPSBEXKNXWMCT-RISCZKNCSA-N 0 0 342.252 4.210 20 10 EICDRN CC(=O)NCc1ccc(Nc2ccc(Cc3ccc(N)cc3)cc2)cc1 ZINC001174233937 1050859348 /nfs/dbraw/zinc/85/93/48/1050859348.db2.gz GUDHQUKVEIXCOK-UHFFFAOYSA-N 0 0 345.446 4.239 20 10 EICDRN COC(=O)c1cc(CSc2ncc(C(C)(C)C)s2)c(C)o1 ZINC001188940156 1050867765 /nfs/dbraw/zinc/86/77/65/1050867765.db2.gz IESVLCHRZAOCOF-UHFFFAOYSA-N 0 0 325.455 4.421 20 10 EICDRN O=C(Nc1cc(Cl)ccc1Cl)N1CCc2cccc(O)c2C1 ZINC001188987532 1050878589 /nfs/dbraw/zinc/87/85/89/1050878589.db2.gz XHPPZISQJOSPLN-UHFFFAOYSA-N 0 0 337.206 4.289 20 10 EICDRN CN(C)c1ccc(/C=C/C(=O)N(C)C(C)(C)Cc2ccccc2)cc1 ZINC001180126458 1050892987 /nfs/dbraw/zinc/89/29/87/1050892987.db2.gz SXRQZMZMUSAQKU-DTQAZKPQSA-N 0 0 336.479 4.246 20 10 EICDRN Cn1nc(C(F)(F)F)cc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001174327573 1050893235 /nfs/dbraw/zinc/89/32/35/1050893235.db2.gz 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1050957776 /nfs/dbraw/zinc/95/77/76/1050957776.db2.gz VDTIHIXLWMLBSQ-AWEZNQCLSA-N 0 0 329.415 4.084 20 10 EICDRN COc1ccc(N(Cc2cccs2)Cc2cc(C)ncn2)cc1 ZINC000794414691 1050961875 /nfs/dbraw/zinc/96/18/75/1050961875.db2.gz QXMUSUFNLGSVDI-UHFFFAOYSA-N 0 0 325.437 4.062 20 10 EICDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3C[C@H]4CCC[C@H]43)c2C)cc1 ZINC001180329728 1050970697 /nfs/dbraw/zinc/97/06/97/1050970697.db2.gz JZVQFRIVCHJXAE-XFQXTVEOSA-N 0 0 338.451 4.021 20 10 EICDRN Cc1ccccc1N=Nc1ccc(NC(=O)c2c[nH]c(=O)[nH]2)c(C)c1 ZINC001189548850 1051008832 /nfs/dbraw/zinc/00/88/32/1051008832.db2.gz DKABOVZRRHNNGT-GHVJWSGMSA-N 0 0 335.367 4.400 20 10 EICDRN Cc1cc(Br)c([O-])c(C[N@H+](C)CC2CCCCC2)c1 ZINC001180539995 1051029536 /nfs/dbraw/zinc/02/95/36/1051029536.db2.gz DWLZLAUJLBQAGE-UHFFFAOYSA-N 0 0 326.278 4.475 20 10 EICDRN CCCOc1ccc(CNCc2nc(-c3ccccc3)no2)cc1C ZINC001180671666 1051050839 /nfs/dbraw/zinc/05/08/39/1051050839.db2.gz BGKXOBJTGLWQKI-UHFFFAOYSA-N 0 0 337.423 4.124 20 10 EICDRN CCn1cc(CN(C)c2ccc(OC)c(F)c2)c(-c2ccccc2)n1 ZINC001180759585 1051071893 /nfs/dbraw/zinc/07/18/93/1051071893.db2.gz UHTZDUMQKDZPFS-UHFFFAOYSA-N 0 0 339.414 4.354 20 10 EICDRN CC(C)[C@@H](Sc1ncc(Cl)s1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC001189833336 1051072214 /nfs/dbraw/zinc/07/22/14/1051072214.db2.gz VIGCTDJVNSILSK-NQBHXWOUSA-N 0 0 346.949 4.418 20 10 EICDRN Cc1cc(O)c(CN2CCN(C)c3ccc(Cl)cc32)cc1Cl ZINC001180758587 1051073413 /nfs/dbraw/zinc/07/34/13/1051073413.db2.gz KBYKANUUVLEEGC-UHFFFAOYSA-N 0 0 337.250 4.464 20 10 EICDRN Oc1cc(Br)ccc1CNc1cnc2c(c1)CCCC2 ZINC001180835525 1051085086 /nfs/dbraw/zinc/08/50/86/1051085086.db2.gz KDOFJADLVYBUIU-UHFFFAOYSA-N 0 0 333.229 4.041 20 10 EICDRN Cc1ccc(Cl)c(SCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001190064364 1051101979 /nfs/dbraw/zinc/10/19/79/1051101979.db2.gz SKJVLWCVAUCSKU-UHFFFAOYSA-N 0 0 348.899 4.123 20 10 EICDRN C[C@H](NCc1cc(O)ccc1Br)c1ccc(N(C)C)cc1 ZINC000775365067 1051131004 /nfs/dbraw/zinc/13/10/04/1051131004.db2.gz RXDWOYUECSKIQA-LBPRGKRZSA-N 0 0 349.272 4.072 20 10 EICDRN COc1ccc2c(c1)N(Cc1cc(Cl)c(C)cc1O)C[C@H](C)O2 ZINC001181087051 1051144047 /nfs/dbraw/zinc/14/40/47/1051144047.db2.gz KUGBCOXQFXSMRN-LBPRGKRZSA-N 0 0 333.815 4.150 20 10 EICDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]3C(C)(C)C)c2C)cc1 ZINC001181281892 1051196407 /nfs/dbraw/zinc/19/64/07/1051196407.db2.gz LOCQSMIJZAJHSC-LJQANCHMSA-N 0 0 340.467 4.363 20 10 EICDRN CC12CC3(C)CC(C)(C1)CC(C(=O)NCc1ccc(O)c(O)c1)(C2)C3 ZINC000773416130 1051211990 /nfs/dbraw/zinc/21/19/90/1051211990.db2.gz YSYJXNUSWFEMAP-UHFFFAOYSA-N 0 0 343.467 4.101 20 10 EICDRN Cc1ccc2c(c1)CCN2Cc1cc(Br)cc(C)c1O ZINC001181427245 1051222487 /nfs/dbraw/zinc/22/24/87/1051222487.db2.gz KQEZIXQVUZZORQ-UHFFFAOYSA-N 0 0 332.241 4.334 20 10 EICDRN C[C@@H](NC(=O)N[C@@H](C)c1cccc(F)c1F)c1ccc(N(C)C)cc1 ZINC000773419405 1051233114 /nfs/dbraw/zinc/23/31/14/1051233114.db2.gz HSKBFNLWMXZPQV-OLZOCXBDSA-N 0 0 347.409 4.152 20 10 EICDRN C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1O ZINC001190754887 1051272074 /nfs/dbraw/zinc/27/20/74/1051272074.db2.gz XHKGFVBWBMOSFY-JTQLQIEISA-N 0 0 340.301 4.174 20 10 EICDRN O=C(c1ccncc1)c1ccccc1Nc1cc(F)c(F)c(F)c1 ZINC001174960496 1051274803 /nfs/dbraw/zinc/27/48/03/1051274803.db2.gz CSLNGGWFEWSFKU-UHFFFAOYSA-N 0 0 328.293 4.474 20 10 EICDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC001181741659 1051292136 /nfs/dbraw/zinc/29/21/36/1051292136.db2.gz TVYHLFVTZJMOPL-UHFFFAOYSA-N 0 0 339.332 4.328 20 10 EICDRN CCC1(CC)C[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001181886931 1051342288 /nfs/dbraw/zinc/34/22/88/1051342288.db2.gz FSZREBKUKYYSQL-ZDUSSCGKSA-N 0 0 332.831 4.036 20 10 EICDRN Cc1cc(O)c(CNc2ccc(-c3cnn(C)c3)c(C)n2)cc1Cl ZINC001181944435 1051357161 /nfs/dbraw/zinc/35/71/61/1051357161.db2.gz DNKNZPFAMMQARP-UHFFFAOYSA-N 0 0 342.830 4.070 20 10 EICDRN CC(C)c1ccc([C@@H](C)NC(=O)CCc2ccc(O)c(O)c2)cc1 ZINC001182157651 1051406675 /nfs/dbraw/zinc/40/66/75/1051406675.db2.gz YWBPQGUYUPYEQA-CQSZACIVSA-N 0 0 327.424 4.031 20 10 EICDRN Cc1cc(F)ncc1CN(Cc1ccco1)Cc1ccccc1O ZINC001204153637 1051448703 /nfs/dbraw/zinc/44/87/03/1051448703.db2.gz IODGTOGNHHEGDP-UHFFFAOYSA-N 0 0 326.371 4.030 20 10 EICDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)CC3CC4(CCC4)C3)cc12 ZINC001191472631 1051461379 /nfs/dbraw/zinc/46/13/79/1051461379.db2.gz CAWJVXAYDIFTGI-UHFFFAOYSA-N 0 0 347.480 4.084 20 10 EICDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)CCC3CCCCC3)cc12 ZINC001191476435 1051462175 /nfs/dbraw/zinc/46/21/75/1051462175.db2.gz ZCBYRGBPWBWVPV-UHFFFAOYSA-N 0 0 349.496 4.474 20 10 EICDRN Cc1ccccc1/N=N/c1ccc(NC(=O)c2ncc[nH]c2=O)c(C)c1 ZINC001191512224 1051472794 /nfs/dbraw/zinc/47/27/94/1051472794.db2.gz CTROEAKEDGKZCA-WCWDXBQESA-N 0 0 347.378 4.054 20 10 EICDRN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])cc1 ZINC000774134933 1051477444 /nfs/dbraw/zinc/47/74/44/1051477444.db2.gz NTVDPVLUCVZOBV-PIGZYNQJSA-N 0 0 340.250 4.392 20 10 EICDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@H]2C[C@@H]2C(F)(F)F)cc1 ZINC001182315290 1051480179 /nfs/dbraw/zinc/48/01/79/1051480179.db2.gz CHDWZWVLFQEXRA-HOTGVXAUSA-N 0 0 334.341 4.000 20 10 EICDRN CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774204312 1051499297 /nfs/dbraw/zinc/49/92/97/1051499297.db2.gz SSLHDRHPNLNNSN-VXGBXAGGSA-N 0 0 334.287 4.394 20 10 EICDRN C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774213915 1051505875 /nfs/dbraw/zinc/50/58/75/1051505875.db2.gz PNHWGIYUQCDNKL-QWRGUYRKSA-N 0 0 325.239 4.376 20 10 EICDRN Cc1csc(CN2CCCc3cc(OC(F)(F)F)ccc32)n1 ZINC001191710678 1051518131 /nfs/dbraw/zinc/51/81/31/1051518131.db2.gz BEQQKAZRFWFZPG-UHFFFAOYSA-N 0 0 328.359 4.303 20 10 EICDRN Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001182424484 1051545815 /nfs/dbraw/zinc/54/58/15/1051545815.db2.gz UOFCCSXSLXUSCW-CQSZACIVSA-N 0 0 332.875 4.141 20 10 EICDRN CC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775490320 1051575248 /nfs/dbraw/zinc/57/52/48/1051575248.db2.gz BSYNPPVIKNJFLT-ZIAGYGMSSA-N 0 0 331.287 4.080 20 10 EICDRN C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001182544537 1051636797 /nfs/dbraw/zinc/63/67/97/1051636797.db2.gz QHSTVTPGTUGVOK-IBGZPJMESA-N 0 0 335.369 4.407 20 10 EICDRN CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510248 1051641151 /nfs/dbraw/zinc/64/11/51/1051641151.db2.gz YQUUOIAWXQQTAM-OLZOCXBDSA-N 0 0 344.238 4.375 20 10 EICDRN CC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510250 1051642198 /nfs/dbraw/zinc/64/21/98/1051642198.db2.gz YQUUOIAWXQQTAM-STQMWFEESA-N 0 0 344.238 4.375 20 10 EICDRN COc1ccc(C(=O)c2ccccc2Nc2cccc(CO)c2)cc1 ZINC001175517873 1051645671 /nfs/dbraw/zinc/64/56/71/1051645671.db2.gz BITIBRSIZOGJLH-UHFFFAOYSA-N 0 0 333.387 4.162 20 10 EICDRN Oc1ccccc1CNc1cncc(OCc2cccc(Cl)c2)n1 ZINC000774523785 1051654771 /nfs/dbraw/zinc/65/47/71/1051654771.db2.gz KLUMXBSRSGAXLZ-UHFFFAOYSA-N 0 0 341.798 4.027 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC001192174330 1051658188 /nfs/dbraw/zinc/65/81/88/1051658188.db2.gz OUPWUUCGJQXJSJ-UHFFFAOYSA-N 0 0 349.381 4.018 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775520577 1051678178 /nfs/dbraw/zinc/67/81/78/1051678178.db2.gz UIACHGPIWMDIKP-GWCFXTLKSA-N 0 0 328.243 4.025 20 10 EICDRN CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775520581 1051679076 /nfs/dbraw/zinc/67/90/76/1051679076.db2.gz UIACHGPIWMDIKP-ZWNOBZJWSA-N 0 0 328.243 4.025 20 10 EICDRN CC[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775522427 1051696578 /nfs/dbraw/zinc/69/65/78/1051696578.db2.gz PFQDYUHQMGVFIX-ZDUSSCGKSA-N 0 0 332.271 4.292 20 10 EICDRN CC[C@@H]([NH2+]Cc1cc(C)ncn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524590 1051710380 /nfs/dbraw/zinc/71/03/80/1051710380.db2.gz SEFJJCONYLBDFP-CYBMUJFWSA-N 0 0 326.227 4.038 20 10 EICDRN Cc1cc(NC(=O)NCc2ccc(N3CCCCC3)cc2)ccc1F ZINC001192400938 1051723766 /nfs/dbraw/zinc/72/37/66/1051723766.db2.gz JWOQRSHULLCSEV-UHFFFAOYSA-N 0 0 341.430 4.446 20 10 EICDRN Nc1ccc(N(c2ccc(N)cc2)c2cc([N+](=O)[O-])ccc2F)cc1 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339.357 4.054 20 10 EICDRN CC[C@H]([NH2+]Cc1c(OC)cccc1OC)c1cccc(Cl)c1[O-] ZINC000850505797 1053265269 /nfs/dbraw/zinc/26/52/69/1053265269.db2.gz YLOWQSZWNWJYHG-HNNXBMFYSA-N 0 0 335.831 4.304 20 10 EICDRN C[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])c1cscn1 ZINC000850512146 1053270857 /nfs/dbraw/zinc/27/08/57/1053270857.db2.gz WRGOFCCZPYOGFE-YUMQZZPRSA-N 0 0 345.237 4.162 20 10 EICDRN CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850523461 1053280593 /nfs/dbraw/zinc/28/05/93/1053280593.db2.gz JBILHCSBKVENTM-SMDDNHRTSA-N 0 0 330.255 4.451 20 10 EICDRN C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000850525512 1053285785 /nfs/dbraw/zinc/28/57/85/1053285785.db2.gz JWAVIYZCFQSSOP-JQAFLVLXSA-N 0 0 337.341 4.240 20 10 EICDRN COCc1csc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000850532899 1053293425 /nfs/dbraw/zinc/29/34/25/1053293425.db2.gz OVTZZIQQRJMSOZ-SNVBAGLBSA-N 0 0 345.386 4.470 20 10 EICDRN 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332.806 4.009 20 10 EICDRN COCc1nc(C)cc(N2CC=C(c3c[nH]c4cc(C)ccc43)CC2)n1 ZINC000377920716 1022097996 /nfs/dbraw/zinc/09/79/96/1022097996.db2.gz USKYKLCJXJQONG-UHFFFAOYSA-N 0 0 348.450 4.015 20 10 EICDRN C[C@H](c1cccs1)N1C(=O)/C(=C/c2ccn(C)c2)SC1=S ZINC000160317781 1022261670 /nfs/dbraw/zinc/26/16/70/1022261670.db2.gz MRFFGZWVUADSMR-GARZTLJTSA-N 0 0 334.491 4.049 20 10 EICDRN CC(C)COCCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756361386 1022377144 /nfs/dbraw/zinc/37/71/44/1022377144.db2.gz YJMRXXSZSMEGEP-NSHDSACASA-N 0 0 348.256 4.007 20 10 EICDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc2ccccc21 ZINC000180598700 1022517430 /nfs/dbraw/zinc/51/74/30/1022517430.db2.gz LXYIIGHWQPVGHK-WONIAPNHSA-N 0 0 333.387 4.142 20 10 EICDRN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756403226 1022764203 /nfs/dbraw/zinc/76/42/03/1022764203.db2.gz ORMBELKDOUETBS-RNCFNFMXSA-N 0 0 340.254 4.161 20 10 EICDRN CCOc1cccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])c1 ZINC000180695433 1022796194 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Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185559423 1023054079 /nfs/dbraw/zinc/05/40/79/1023054079.db2.gz XCCQYKFAQDHAOD-UONOGXRCSA-N 0 0 337.467 4.178 20 10 EICDRN C[C@H]([NH2+][C@H]1CCOC1(C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000834875535 1023276275 /nfs/dbraw/zinc/27/62/75/1023276275.db2.gz QMVHYXCSVNVWOZ-UFBFGSQYSA-N 0 0 348.668 4.026 20 10 EICDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1nccn1-c1ccccc1 ZINC000376788918 1023311832 /nfs/dbraw/zinc/31/18/32/1023311832.db2.gz UFNPFQZDWCCIPS-ZIAGYGMSSA-N 0 0 325.387 4.129 20 10 EICDRN COCc1c(Br)cccc1NCc1ccc(N(C)C)cc1 ZINC000040491312 1023324335 /nfs/dbraw/zinc/32/43/35/1023324335.db2.gz ZKMOPBWMCNQWRA-UHFFFAOYSA-N 0 0 349.272 4.274 20 10 EICDRN Cc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)o1 ZINC000255319743 1023356800 /nfs/dbraw/zinc/35/68/00/1023356800.db2.gz IFMOPRUHDXEZEB-IZZDOVSWSA-N 0 0 336.825 4.042 20 10 EICDRN CCNC(=O)Nc1cccc(N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000278828609 1023360229 /nfs/dbraw/zinc/36/02/29/1023360229.db2.gz 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CN(C)c1ccc(CN(C)C(=O)C(C)(C)c2ccccc2Cl)cc1 ZINC000728857328 1025111065 /nfs/dbraw/zinc/11/10/65/1025111065.db2.gz DPKCHEVIPRXPQS-UHFFFAOYSA-N 0 0 344.886 4.342 20 10 EICDRN CCNC(=O)Nc1cccc(N[C@@H](C)c2ccc(C)cc2O)c1C ZINC000278921044 1025600506 /nfs/dbraw/zinc/60/05/06/1025600506.db2.gz WNGAOIZEQPDFMD-AWEZNQCLSA-N 0 0 327.428 4.324 20 10 EICDRN C[C@@H]1CN(C(=O)c2ccccc2SCc2ccco2)CCS1 ZINC000728884786 1025721546 /nfs/dbraw/zinc/72/15/46/1025721546.db2.gz FXIRMBCEQGCTSI-CYBMUJFWSA-N 0 0 333.478 4.149 20 10 EICDRN CC[C@@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccccc1O ZINC000157798964 1026057307 /nfs/dbraw/zinc/05/73/07/1026057307.db2.gz WNNCSSXYXRLQBG-HNAYVOBHSA-N 0 0 326.440 4.181 20 10 EICDRN CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000277472307 1026130604 /nfs/dbraw/zinc/13/06/04/1026130604.db2.gz RQTROSRALJJMSW-BDAKNGLRSA-N 0 0 343.258 4.181 20 10 EICDRN CC[C@@]1(C)CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000344334311 1026248361 /nfs/dbraw/zinc/24/83/61/1026248361.db2.gz 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10 EICDRN CC[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)c1cccc(Cl)c1[O-] ZINC000806150143 1047173711 /nfs/dbraw/zinc/17/37/11/1047173711.db2.gz MCUNAICAMHXICU-QGZVFWFLSA-N 0 0 335.879 4.069 20 10 EICDRN C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1nccn1-c1ccccc1 ZINC000806176208 1047174767 /nfs/dbraw/zinc/17/47/67/1047174767.db2.gz JNXQUTJUXHKIAF-CHWSQXEVSA-N 0 0 343.377 4.268 20 10 EICDRN CC[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cccc(Cl)c1[O-] ZINC000806150494 1047175771 /nfs/dbraw/zinc/17/57/71/1047175771.db2.gz UKGBRQGSHFBERN-WMZOPIPTSA-N 0 0 337.822 4.133 20 10 EICDRN CC[C@@H](Nc1cccc2c1oc(=O)n2C)c1cccc(Cl)c1O ZINC000806154775 1047177641 /nfs/dbraw/zinc/17/76/41/1047177641.db2.gz JXXRMZKTXWUXIN-GFCCVEGCSA-N 0 0 332.787 4.054 20 10 EICDRN CCNC(=O)c1cccc(N[C@H](CC)c2cccc(Cl)c2O)c1 ZINC000806155579 1047180290 /nfs/dbraw/zinc/18/02/90/1047180290.db2.gz RZOFPPMWYBISKY-MRXNPFEDSA-N 0 0 332.831 4.359 20 10 EICDRN CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806164921 1047188348 /nfs/dbraw/zinc/18/83/48/1047188348.db2.gz AVJOFHSHBWMMGM-PGUXBMHVSA-N 0 0 332.271 4.412 20 10 EICDRN CC[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806164353 1047188872 /nfs/dbraw/zinc/18/88/72/1047188872.db2.gz QZCLPOYNQBROTE-CRAIPNDOSA-N 0 0 333.859 4.080 20 10 EICDRN COCc1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC000788508888 1047208765 /nfs/dbraw/zinc/20/87/65/1047208765.db2.gz XTCNDBJSZFAMCW-GFCCVEGCSA-N 0 0 339.357 4.408 20 10 EICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000788532703 1047232073 /nfs/dbraw/zinc/23/20/73/1047232073.db2.gz SRILXCAKOMPSOD-UHFFFAOYSA-N 0 0 336.140 4.406 20 10 EICDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(Cl)c(OC)c2)c1 ZINC000788610247 1047233564 /nfs/dbraw/zinc/23/35/64/1047233564.db2.gz HFIDIOCRTZYRGB-JTQLQIEISA-N 0 0 335.787 4.014 20 10 EICDRN C[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1cc(F)cc(F)c1[O-] ZINC000788621541 1047252370 /nfs/dbraw/zinc/25/23/70/1047252370.db2.gz ZGCHYTTUXNNSNP-SSDOTTSWSA-N 0 0 333.712 4.453 20 10 EICDRN CC(C)N(Cc1csc([N+](=O)[O-])c1)Cc1ccc(N(C)C)cc1 ZINC000918021836 1047273812 /nfs/dbraw/zinc/27/38/12/1047273812.db2.gz PZBOZIAYKJPWCR-UHFFFAOYSA-N 0 0 333.457 4.133 20 10 EICDRN CCN(Cc1ccccc1C)C(=O)NCCCSc1nccs1 ZINC000154605123 1047275568 /nfs/dbraw/zinc/27/55/68/1047275568.db2.gz CZIUYUWAPGGLNT-UHFFFAOYSA-N 0 0 349.525 4.165 20 10 EICDRN Nc1ccc(CCNC(=O)N[C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000841874071 1047282229 /nfs/dbraw/zinc/28/22/29/1047282229.db2.gz JXFNSIUMLKRVRX-FQEVSTJZSA-N 0 0 337.467 4.042 20 10 EICDRN COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788756175 1047288645 /nfs/dbraw/zinc/28/86/45/1047288645.db2.gz HRVJYPBYDZFGAP-QWRGUYRKSA-N 0 0 340.345 4.226 20 10 EICDRN COc1ccc(F)cc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788762532 1047291133 /nfs/dbraw/zinc/29/11/33/1047291133.db2.gz HJOUBLFYXPATQB-JTQLQIEISA-N 0 0 343.320 4.410 20 10 EICDRN COCC[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccco1 ZINC000788735334 1047297105 /nfs/dbraw/zinc/29/71/05/1047297105.db2.gz PNCDUFKLJATXPA-SMDDNHRTSA-N 0 0 343.345 4.432 20 10 EICDRN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC000788778282 1047313322 /nfs/dbraw/zinc/31/33/22/1047313322.db2.gz XQRCSNOFKKKAAK-MLGOLLRUSA-N 0 0 339.357 4.104 20 10 EICDRN O=[N+]([O-])c1cc2ccccc2nc1NCCCSc1nccs1 ZINC000788844638 1047323432 /nfs/dbraw/zinc/32/34/32/1047323432.db2.gz CBXOKOZASFWCDV-UHFFFAOYSA-N 0 0 346.437 4.194 20 10 EICDRN Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CCC2 ZINC000806660454 1047335798 /nfs/dbraw/zinc/33/57/98/1047335798.db2.gz DCZYPRYQSHDQDG-UGSOOPFHSA-N 0 0 326.396 4.337 20 10 EICDRN COc1nn(C)cc1NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000788971083 1047337954 /nfs/dbraw/zinc/33/79/54/1047337954.db2.gz DARLUDDHCFCUTQ-UHFFFAOYSA-N 0 0 345.487 4.341 20 10 EICDRN COc1c2ccccc2oc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000788980919 1047350504 /nfs/dbraw/zinc/35/05/04/1047350504.db2.gz PJCOIEWJHQWVBX-SNVBAGLBSA-N 0 0 333.334 4.276 20 10 EICDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)CC2CCCCC2)cc1 ZINC001130744536 1047362525 /nfs/dbraw/zinc/36/25/25/1047362525.db2.gz CVXMKLPHENICMT-KRWDZBQOSA-N 0 0 346.515 4.196 20 10 EICDRN C[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000918216127 1047382813 /nfs/dbraw/zinc/38/28/13/1047382813.db2.gz OXUFXWWDWCQZHK-HNNXBMFYSA-N 0 0 328.431 4.044 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000918229673 1047385211 /nfs/dbraw/zinc/38/52/11/1047385211.db2.gz NDZYJPPWCGKJSN-UHFFFAOYSA-N 0 0 343.446 4.014 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 ZINC000918229120 1047385489 /nfs/dbraw/zinc/38/54/89/1047385489.db2.gz YKNQRTLHALUWBX-APWZRJJASA-N 0 0 331.504 4.253 20 10 EICDRN Cc1cc(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)c(C)n1-c1ccccn1 ZINC000918330000 1047405867 /nfs/dbraw/zinc/40/58/67/1047405867.db2.gz YZKAVZQTVAWCDT-SUMWQHHRSA-N 0 0 349.434 4.136 20 10 EICDRN Cc1cc2c(cc1C)N(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000807140248 1047417010 /nfs/dbraw/zinc/41/70/10/1047417010.db2.gz KQNFMMXVLYVEEA-MRXNPFEDSA-N 0 0 337.467 4.203 20 10 EICDRN [O-]c1cc(F)c(F)cc1C[N@H+](Cc1ccccc1)Cc1ccccn1 ZINC001142509056 1047434240 /nfs/dbraw/zinc/43/42/40/1047434240.db2.gz VRPLSZGQEDYBNG-UHFFFAOYSA-N 0 0 340.373 4.268 20 10 EICDRN Oc1ccccc1CN(Cc1ccco1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000789721715 1047468644 /nfs/dbraw/zinc/46/86/44/1047468644.db2.gz JUTQJSVOBVFUQK-UHFFFAOYSA-N 0 0 349.390 4.171 20 10 EICDRN C[C@@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@H]1O ZINC000789833417 1047478528 /nfs/dbraw/zinc/47/85/28/1047478528.db2.gz JTJSVSSXOHBYOZ-RDTXWAMCSA-N 0 0 338.411 4.337 20 10 EICDRN Fc1cc(-c2nc(-c3nccc4[nH]ccc43)no2)ccc1-n1cccc1 ZINC000789872547 1047479991 /nfs/dbraw/zinc/47/99/91/1047479991.db2.gz LLAOCOMUDYYMJD-UHFFFAOYSA-N 0 0 345.337 4.210 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000747412244 1047480388 /nfs/dbraw/zinc/48/03/88/1047480388.db2.gz NGCJBTWBMIMWPV-RBUKOAKNSA-N 0 0 342.870 4.168 20 10 EICDRN CN(C)C(=O)c1ccc(NCc2c(O)cccc2Cl)cc1Cl ZINC000789889677 1047480706 /nfs/dbraw/zinc/48/07/06/1047480706.db2.gz LZNCZOLFAYMLSR-UHFFFAOYSA-N 0 0 339.222 4.013 20 10 EICDRN CCSCc1ccccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000789952278 1047492972 /nfs/dbraw/zinc/49/29/72/1047492972.db2.gz ZNTIOPJZSQPSMI-UHFFFAOYSA-N 0 0 342.508 4.244 20 10 EICDRN O=C1/C(=C\c2cc(F)cc(F)c2)SC(=S)N1c1ccsc1 ZINC000790111173 1047513344 /nfs/dbraw/zinc/51/33/44/1047513344.db2.gz PSAIDJBEZDKGSY-LFYBBSHMSA-N 0 0 339.413 4.432 20 10 EICDRN O=C1/C(=C/c2ccc3c(c2)CCO3)SC(=S)N1c1ccsc1 ZINC000790108123 1047513710 /nfs/dbraw/zinc/51/37/10/1047513710.db2.gz MUIUHZAIVYMSNT-ZSOIEALJSA-N 0 0 345.470 4.089 20 10 EICDRN O=C1/C(=C/c2ccc(F)c(F)c2)SC(=S)N1c1ccsc1 ZINC000790107205 1047515235 /nfs/dbraw/zinc/51/52/35/1047515235.db2.gz CZPALAWZLIETOH-SDQBBNPISA-N 0 0 339.413 4.432 20 10 EICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001142530437 1047542778 /nfs/dbraw/zinc/54/27/78/1047542778.db2.gz HIINZTKRYNCFBQ-AWEZNQCLSA-N 0 0 339.382 4.176 20 10 EICDRN Oc1cc(F)c(F)cc1CN1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001142534245 1047553364 /nfs/dbraw/zinc/55/33/64/1047553364.db2.gz BDMQCCAVKGVDMQ-CQSZACIVSA-N 0 0 339.332 4.295 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)c2scc(C)c2Cl)cc1 ZINC000790359572 1047568614 /nfs/dbraw/zinc/56/86/14/1047568614.db2.gz RLTGWRBDHHAYGI-UHFFFAOYSA-N 0 0 336.888 4.486 20 10 EICDRN COc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1OC(C)C ZINC000898219815 1047568971 /nfs/dbraw/zinc/56/89/71/1047568971.db2.gz MOARSWZIFXHMMF-UHFFFAOYSA-N 0 0 335.831 4.131 20 10 EICDRN CCCCn1nc(C)c(C[NH2+]Cc2cccc(Cl)c2[O-])c1Cl ZINC000898219731 1047569003 /nfs/dbraw/zinc/56/90/03/1047569003.db2.gz KPGAZOVRRMEQMJ-UHFFFAOYSA-N 0 0 342.270 4.294 20 10 EICDRN Cc1cc(C(=O)N(C)c2ccc(C)c(C)c2)c(C)n1-c1ccccn1 ZINC000918659773 1047571465 /nfs/dbraw/zinc/57/14/65/1047571465.db2.gz XARLOJIZOULTKR-UHFFFAOYSA-N 0 0 333.435 4.383 20 10 EICDRN Cc1cc(C)c(O)c(CN(CCC(F)(F)F)CC(F)(F)F)c1 ZINC000790402648 1047586009 /nfs/dbraw/zinc/58/60/09/1047586009.db2.gz DJDMEYVMRJQMGM-UHFFFAOYSA-N 0 0 329.284 4.326 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)C2(C(F)F)CCCC2)cc1 ZINC000808045574 1047600418 /nfs/dbraw/zinc/60/04/18/1047600418.db2.gz NBVLHPKYSIWTCD-UHFFFAOYSA-N 0 0 338.442 4.317 20 10 EICDRN COc1ccc(N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000918736221 1047627136 /nfs/dbraw/zinc/62/71/36/1047627136.db2.gz ZBCYSBCTEMMLAD-HNNXBMFYSA-N 0 0 330.859 4.232 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cccc(C)c2)cc1 ZINC000918780873 1047650100 /nfs/dbraw/zinc/65/01/00/1047650100.db2.gz YZJYQTMBGJNLOT-UHFFFAOYSA-N 0 0 339.483 4.183 20 10 EICDRN CC(C)([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000814178543 1047868610 /nfs/dbraw/zinc/86/86/10/1047868610.db2.gz URCDQGWJYZOXPF-UHFFFAOYSA-N 0 0 338.766 4.118 20 10 EICDRN CCCn1ncc(NCc2cc(Cl)cc(OC)c2O)c1C1CC1 ZINC000824630610 1047891953 /nfs/dbraw/zinc/89/19/53/1047891953.db2.gz PCDYGPULDKJFQS-UHFFFAOYSA-N 0 0 335.835 4.150 20 10 EICDRN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])c2ccccc2O1 ZINC000824651083 1047894451 /nfs/dbraw/zinc/89/44/51/1047894451.db2.gz VNRRBODZJUHSHR-IAQYHMDHSA-N 0 0 348.240 4.157 20 10 EICDRN CCN(Cc1ccccc1)c1ccc(CNc2cc(C)n(C)n2)cc1 ZINC000747925220 1047896524 /nfs/dbraw/zinc/89/65/24/1047896524.db2.gz ZTMRIPFKUFZTDS-UHFFFAOYSA-N 0 0 334.467 4.367 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824697018 1047897773 /nfs/dbraw/zinc/89/77/73/1047897773.db2.gz XVDNVRQCUGAABT-IMJJTQAJSA-N 0 0 344.282 4.215 20 10 EICDRN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@H]2CC2CCC2)cc1 ZINC000824724885 1047913198 /nfs/dbraw/zinc/91/31/98/1047913198.db2.gz WRXWWTPEYFFZJA-INIZCTEOSA-N 0 0 328.416 4.034 20 10 EICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000808451694 1047920435 /nfs/dbraw/zinc/92/04/35/1047920435.db2.gz WIAMYOALROLISR-CXAGYDPISA-N 0 0 335.806 4.195 20 10 EICDRN CCC1(C(=O)NCc2cccc(Br)c2O)CCCCC1 ZINC000765763595 1047928682 /nfs/dbraw/zinc/92/86/82/1047928682.db2.gz FEACQNPZZQZMTB-UHFFFAOYSA-N 0 0 340.261 4.131 20 10 EICDRN COc1ccc2cc(/C=C3/SC(=S)N(C4CC4)C3=O)ccc2c1 ZINC000814285112 1047935476 /nfs/dbraw/zinc/93/54/76/1047935476.db2.gz OTFVHVGQQSAQEI-CXUHLZMHSA-N 0 0 341.457 4.212 20 10 EICDRN COCC(C)(C)CCC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000808428914 1047941353 /nfs/dbraw/zinc/94/13/53/1047941353.db2.gz VFMQTFWZYBDDED-UHFFFAOYSA-N 0 0 344.293 4.006 20 10 EICDRN Cc1cc(CN[C@@H]2C[C@@H](C)n3ccnc32)c(C)n1-c1cccc(C)c1 ZINC000825017567 1048019464 /nfs/dbraw/zinc/01/94/64/1048019464.db2.gz UZROKAISWUPQGO-FOIQADDNSA-N 0 0 334.467 4.395 20 10 EICDRN Cc1cc(O)c(CNc2ccc(N3CCO[C@@H](C)C3)cc2)cc1Cl ZINC000825033349 1048021558 /nfs/dbraw/zinc/02/15/58/1048021558.db2.gz LITCRRBMQARPGY-AWEZNQCLSA-N 0 0 346.858 4.191 20 10 EICDRN CCCc1ncc(CNCc2ccc(N(C)C)cc2C(F)(F)F)o1 ZINC000825086889 1048033249 /nfs/dbraw/zinc/03/32/49/1048033249.db2.gz WNDUROVYQRXCGJ-UHFFFAOYSA-N 0 0 341.377 4.002 20 10 EICDRN CN1CCC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)c2ccccc21 ZINC000825117421 1048039835 /nfs/dbraw/zinc/03/98/35/1048039835.db2.gz CVLKEBIVTGJEPC-OAHLLOKOSA-N 0 0 334.822 4.246 20 10 EICDRN CSCC1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001134442294 1048055324 /nfs/dbraw/zinc/05/53/24/1048055324.db2.gz RUPAVTQLIHKFSH-UHFFFAOYSA-N 0 0 342.508 4.309 20 10 EICDRN Cc1cc(Cl)cc([C@H](C)Nc2cnn(Cc3ccccn3)c2)c1O ZINC000808713633 1048057556 /nfs/dbraw/zinc/05/75/56/1048057556.db2.gz QNKJKVRAZSLKCC-ZDUSSCGKSA-N 0 0 342.830 4.167 20 10 EICDRN CCNC(=O)c1cccc(N[C@@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808712404 1048059105 /nfs/dbraw/zinc/05/91/05/1048059105.db2.gz DHZRMHCLANRHND-LBPRGKRZSA-N 0 0 332.831 4.277 20 10 EICDRN Cc1cc(N[C@@H](C)c2cc(Cl)cc(C)c2O)cc(OCCO)c1 ZINC000808716684 1048065218 /nfs/dbraw/zinc/06/52/18/1048065218.db2.gz SOWCDQBAOHREMF-ZDUSSCGKSA-N 0 0 335.831 4.207 20 10 EICDRN Cc1cc(Cl)cc([C@H](C)Nc2ccc3ccn(C)c(=O)c3c2)c1O ZINC000808717731 1048065579 /nfs/dbraw/zinc/06/55/79/1048065579.db2.gz MDUUZYKTCIJNOR-LBPRGKRZSA-N 0 0 342.826 4.379 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])[C@H](O)c1ccccc1 ZINC000808721930 1048071328 /nfs/dbraw/zinc/07/13/28/1048071328.db2.gz VRLUNZNCZYSFCT-RVPKQNPDSA-N 0 0 340.250 4.472 20 10 EICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000825311056 1048074873 /nfs/dbraw/zinc/07/48/73/1048074873.db2.gz FXQPPYOPRLNMNU-MRXNPFEDSA-N 0 0 337.872 4.101 20 10 EICDRN CC(=O)c1cc(Cl)cc(CN[C@H](c2ccccc2)C(F)F)c1O ZINC000814650994 1048101285 /nfs/dbraw/zinc/10/12/85/1048101285.db2.gz VQSRGQCGIXVFNU-OAHLLOKOSA-N 0 0 339.769 4.344 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)Cc1ccncc1 ZINC001137044354 1048101800 /nfs/dbraw/zinc/10/18/00/1048101800.db2.gz CLSQXVZHFFECHC-MRXNPFEDSA-N 0 0 347.462 4.159 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)c2csc(C(C)=O)c2)cc1 ZINC000814824927 1048187831 /nfs/dbraw/zinc/18/78/31/1048187831.db2.gz QJUILHOKKJIROX-UHFFFAOYSA-N 0 0 344.480 4.069 20 10 EICDRN CC[C@@H](C)Oc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000919898824 1048277276 /nfs/dbraw/zinc/27/72/76/1048277276.db2.gz LTRIFBVUUVZYJA-OAHLLOKOSA-N 0 0 341.455 4.252 20 10 EICDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)c2ccsc2)c1 ZINC001143920769 1048303494 /nfs/dbraw/zinc/30/34/94/1048303494.db2.gz PEARUVQVYGMUMF-UHFFFAOYSA-N 0 0 338.432 4.245 20 10 EICDRN CCN(C[C@@H](O)c1cc2ccccc2o1)c1ccc(OC)c(OC)c1 ZINC000815065947 1048315868 /nfs/dbraw/zinc/31/58/68/1048315868.db2.gz SYWSTRUETBPVPF-MRXNPFEDSA-N 0 0 341.407 4.010 20 10 EICDRN Cc1nc(C2(NCc3ccc(N(C)C)c(C)c3)CCCCCC2)no1 ZINC000815066252 1048317048 /nfs/dbraw/zinc/31/70/48/1048317048.db2.gz YNSPJIVWTBDSDR-UHFFFAOYSA-N 0 0 342.487 4.092 20 10 EICDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1C[C@@H]1C1CCCC1 ZINC000844423075 1048320508 /nfs/dbraw/zinc/32/05/08/1048320508.db2.gz MRSKLPGXRKSGNI-CVEARBPZSA-N 0 0 346.434 4.161 20 10 EICDRN C[C@H](CCO)N(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000844482538 1048348604 /nfs/dbraw/zinc/34/86/04/1048348604.db2.gz RLXRGWYFIORBQF-CQSZACIVSA-N 0 0 326.400 4.337 20 10 EICDRN CN(Cc1nccs1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809582255 1048408089 /nfs/dbraw/zinc/40/80/89/1048408089.db2.gz VDFLOMFUHGWRKQ-UHFFFAOYSA-N 0 0 349.503 4.338 20 10 EICDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000920051743 1048414740 /nfs/dbraw/zinc/41/47/40/1048414740.db2.gz QVDWACZNJGNEKR-MOPGFXCFSA-N 0 0 338.451 4.260 20 10 EICDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000920051746 1048416027 /nfs/dbraw/zinc/41/60/27/1048416027.db2.gz QVDWACZNJGNEKR-RTBURBONSA-N 0 0 338.451 4.260 20 10 EICDRN Cc1ccc(CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)nc1 ZINC000809731580 1048481277 /nfs/dbraw/zinc/48/12/77/1048481277.db2.gz KLSVTQWWCGEFRJ-UHFFFAOYSA-N 0 0 335.451 4.251 20 10 EICDRN CC1CCN(c2ccc(CNC(=O)c3sccc3F)cc2)CC1 ZINC000815523338 1048501594 /nfs/dbraw/zinc/50/15/94/1048501594.db2.gz FZHDPSIJAYGLIF-UHFFFAOYSA-N 0 0 332.444 4.054 20 10 EICDRN C[C@H]([NH2+]CCOc1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815554054 1048504565 /nfs/dbraw/zinc/50/45/65/1048504565.db2.gz QJJGFNGAOHYBSG-LBPRGKRZSA-N 0 0 325.330 4.141 20 10 EICDRN CCOc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c(O)c1 ZINC000809775999 1048507465 /nfs/dbraw/zinc/50/74/65/1048507465.db2.gz OLJYYPIMMSSQMJ-UHFFFAOYSA-N 0 0 342.222 4.093 20 10 EICDRN Cc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc(Cl)n1 ZINC000809775851 1048507787 /nfs/dbraw/zinc/50/77/87/1048507787.db2.gz LTKBAQLMTVNPPM-UHFFFAOYSA-N 0 0 331.630 4.346 20 10 EICDRN C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(C(F)(F)F)c1[O-] ZINC000815556520 1048508338 /nfs/dbraw/zinc/50/83/38/1048508338.db2.gz XGAYQKIBWWSZNL-WCQYABFASA-N 0 0 337.341 4.065 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758162 1048521848 /nfs/dbraw/zinc/52/18/48/1048521848.db2.gz FIEZWBNHQUXPLA-CHWSQXEVSA-N 0 0 344.282 4.338 20 10 EICDRN CCc1cnc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000815584414 1048523923 /nfs/dbraw/zinc/52/39/23/1048523923.db2.gz CNDIKCUTLXVTIU-JTQLQIEISA-N 0 0 344.402 4.323 20 10 EICDRN CC[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cccc(Cl)c1[O-] ZINC000806147876 1048527836 /nfs/dbraw/zinc/52/78/36/1048527836.db2.gz NVMMCLXAKALTPH-KSFYIVLOSA-N 0 0 337.872 4.024 20 10 EICDRN C[C@H](NCc1ccc(OCc2ccccc2)cc1O)C(F)(F)F ZINC000809783441 1048530757 /nfs/dbraw/zinc/53/07/57/1048530757.db2.gz CTMFNONTJLHTEL-LBPRGKRZSA-N 0 0 325.330 4.012 20 10 EICDRN CC(=O)N1CCCN(Cc2cc(Cl)cc(C)c2O)c2ccccc21 ZINC000809785926 1048531580 /nfs/dbraw/zinc/53/15/80/1048531580.db2.gz IDPYMFXULQQGHR-UHFFFAOYSA-N 0 0 344.842 4.117 20 10 EICDRN C[C@H](Oc1ccccc1NCc1cc(F)ccc1O)C(F)(F)F ZINC000809785333 1048532226 /nfs/dbraw/zinc/53/22/26/1048532226.db2.gz RSGQIINIXZLZSW-JTQLQIEISA-N 0 0 329.293 4.473 20 10 EICDRN Oc1ccc(F)cc1CNc1cccc(Cl)c1OCC(F)F ZINC000809782995 1048532929 /nfs/dbraw/zinc/53/29/29/1048532929.db2.gz NRBUAIDIWAETPU-UHFFFAOYSA-N 0 0 331.721 4.441 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000809791138 1048536047 /nfs/dbraw/zinc/53/60/47/1048536047.db2.gz TZENUODRTJYDHL-NVXWUHKLSA-N 0 0 335.806 4.195 20 10 EICDRN C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815576453 1048538651 /nfs/dbraw/zinc/53/86/51/1048538651.db2.gz QPPLHJYUIRUAAO-VXGBXAGGSA-N 0 0 339.357 4.398 20 10 EICDRN C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815632758 1048555704 /nfs/dbraw/zinc/55/57/04/1048555704.db2.gz WZSHLJYMTAPZRR-UXIGCNINSA-N 0 0 330.359 4.036 20 10 EICDRN C[C@@H](Nc1cnn(CC(F)F)c1)c1cccc(C(F)(F)F)c1O ZINC000815607193 1048557811 /nfs/dbraw/zinc/55/78/11/1048557811.db2.gz SAELMJYKMSKHRJ-MRVPVSSYSA-N 0 0 335.276 4.046 20 10 EICDRN Cc1nc([C@H](C)N2CCCc3cc(OCc4ccccc4)ccc32)no1 ZINC000809947578 1048568445 /nfs/dbraw/zinc/56/84/45/1048568445.db2.gz KULJMVULRQXUSW-HNNXBMFYSA-N 0 0 349.434 4.471 20 10 EICDRN Cc1nc([C@@H](C)N2CCCc3cc(OCc4ccccc4)ccc32)no1 ZINC000809947579 1048569382 /nfs/dbraw/zinc/56/93/82/1048569382.db2.gz KULJMVULRQXUSW-OAHLLOKOSA-N 0 0 349.434 4.471 20 10 EICDRN COc1ccccc1C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001132044833 1048613042 /nfs/dbraw/zinc/61/30/42/1048613042.db2.gz YVDZAJMRQACJLS-UHFFFAOYSA-N 0 0 348.446 4.341 20 10 EICDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc2ccncc2c1 ZINC000845310582 1048645409 /nfs/dbraw/zinc/64/54/09/1048645409.db2.gz ALUJCOGRDZCJFE-UHFFFAOYSA-N 0 0 345.446 4.155 20 10 EICDRN Oc1ccc(Br)cc1CNc1cncc2c(F)cccc12 ZINC001171178339 1048650670 /nfs/dbraw/zinc/65/06/70/1048650670.db2.gz XEBAYFRUQGSDBB-UHFFFAOYSA-N 0 0 347.187 4.454 20 10 EICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)CCCCC2=O ZINC000810167137 1048651711 /nfs/dbraw/zinc/65/17/11/1048651711.db2.gz ZSHIQOGRWHJNSH-UHFFFAOYSA-N 0 0 348.446 4.448 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000845415730 1048670984 /nfs/dbraw/zinc/67/09/84/1048670984.db2.gz NFGXCIUOZYOQMX-IAGOWNOFSA-N 0 0 342.842 4.019 20 10 EICDRN Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000920459084 1048676609 /nfs/dbraw/zinc/67/66/09/1048676609.db2.gz PODQBUFGQIMFLY-UGSOOPFHSA-N 0 0 346.858 4.045 20 10 EICDRN C[C@H](Nc1cc(C2CC2)ccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000810258907 1048709312 /nfs/dbraw/zinc/70/93/12/1048709312.db2.gz YTQOWXCAORRIDZ-AWEZNQCLSA-N 0 0 341.430 4.108 20 10 EICDRN CC[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000810259643 1048712729 /nfs/dbraw/zinc/71/27/29/1048712729.db2.gz NUFJVEMXQGEONR-HUUCEWRRSA-N 0 0 332.271 4.291 20 10 EICDRN CC[C@]1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])OCCc2ccccc21 ZINC000810242371 1048723730 /nfs/dbraw/zinc/72/37/30/1048723730.db2.gz AJKPCIUJVMBOSK-RNODOKPDSA-N 0 0 347.405 4.199 20 10 EICDRN CC[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(F)cc1[O-] ZINC000810253141 1048730177 /nfs/dbraw/zinc/73/01/77/1048730177.db2.gz MQOXKNKIKRCGLJ-QAPCUYQASA-N 0 0 335.444 4.122 20 10 EICDRN Cc1ncsc1/C=C\C(=O)N1CC(C)(C)c2cc(Cl)ccc21 ZINC001132201950 1048760209 /nfs/dbraw/zinc/76/02/09/1048760209.db2.gz ZRWLRBQNAKUYKX-SREVYHEPSA-N 0 0 332.856 4.443 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3cc(C)ccc3s2)c1 ZINC000810348358 1048768082 /nfs/dbraw/zinc/76/80/82/1048768082.db2.gz UWNHLNCJMDWVNL-GFCCVEGCSA-N 0 0 341.432 4.415 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3cc(C)ccc3s2)c1 ZINC000810348359 1048768555 /nfs/dbraw/zinc/76/85/55/1048768555.db2.gz UWNHLNCJMDWVNL-LBPRGKRZSA-N 0 0 341.432 4.415 20 10 EICDRN Cc1ccc([C@H](C)C(=O)NCc2cc(C)n(-c3ccccc3)c2C)o1 ZINC001132267695 1048786324 /nfs/dbraw/zinc/78/63/24/1048786324.db2.gz LYTDCWKEFUPTLI-INIZCTEOSA-N 0 0 336.435 4.415 20 10 EICDRN Cc1cc(CNC(=O)C2(C)CC(F)(F)C2)c(C)n1-c1ccccc1 ZINC001132268042 1048787637 /nfs/dbraw/zinc/78/76/37/1048787637.db2.gz RTQXSBFRWRWIPL-UHFFFAOYSA-N 0 0 332.394 4.146 20 10 EICDRN COc1ccc(O)c([C@H](C)Nc2cc(Cl)c(OC)c(OC)c2)c1 ZINC000846048270 1048807567 /nfs/dbraw/zinc/80/75/67/1048807567.db2.gz JFJWBVBKJCNFAC-JTQLQIEISA-N 0 0 337.803 4.245 20 10 EICDRN C[C@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)CC(C)(C)C ZINC000920882557 1048809265 /nfs/dbraw/zinc/80/92/65/1048809265.db2.gz VLBPKOATEBTGCO-SJORKVTESA-N 0 0 346.515 4.163 20 10 EICDRN Cc1nc(C(C)(C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])sc1C ZINC000816551587 1048824204 /nfs/dbraw/zinc/82/42/04/1048824204.db2.gz HLVQEUKANVWTND-UHFFFAOYSA-N 0 0 328.840 4.283 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1coc(-c2cccs2)n1 ZINC000816541035 1048826407 /nfs/dbraw/zinc/82/64/07/1048826407.db2.gz ARKDUDMDTMPVLV-UHFFFAOYSA-N 0 0 338.791 4.191 20 10 EICDRN CC(C)c1nc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])cs1 ZINC000816545167 1048826595 /nfs/dbraw/zinc/82/65/95/1048826595.db2.gz GRXLFEACJMNJNQ-UHFFFAOYSA-N 0 0 328.840 4.097 20 10 EICDRN COc1cccc([C@@H](C)Nc2ccc(OC(C)C)c(OC)c2)c1O ZINC000846165782 1048827024 /nfs/dbraw/zinc/82/70/24/1048827024.db2.gz YEGJXIZNOJYDPV-CYBMUJFWSA-N 0 0 331.412 4.370 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000816538798 1048827393 /nfs/dbraw/zinc/82/73/93/1048827393.db2.gz HQNWLUKOHVILKZ-AUUYWEPGSA-N 0 0 349.833 4.442 20 10 EICDRN COc1cccc([C@H](C)Nc2cc(OC)c(Cl)c(OC)c2)c1O ZINC000846170294 1048829447 /nfs/dbraw/zinc/82/94/47/1048829447.db2.gz WKDMMWANKUDSJQ-JTQLQIEISA-N 0 0 337.803 4.245 20 10 EICDRN Oc1cc(F)c(Cl)cc1CNc1ccccc1OCC(F)F ZINC000816524268 1048829591 /nfs/dbraw/zinc/82/95/91/1048829591.db2.gz YQQSOKNXSROGQL-UHFFFAOYSA-N 0 0 331.721 4.441 20 10 EICDRN COCCOc1ccc(NCc2ccc3ccccc3c2O)cc1F ZINC000816523574 1048829672 /nfs/dbraw/zinc/82/96/72/1048829672.db2.gz WCNUZVMRUPXLEW-UHFFFAOYSA-N 0 0 341.382 4.322 20 10 EICDRN CC(C)C(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816522678 1048830018 /nfs/dbraw/zinc/83/00/18/1048830018.db2.gz JZTDBHWCJRAAOB-UHFFFAOYSA-N 0 0 336.794 4.391 20 10 EICDRN COC(=O)CCc1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816588732 1048832333 /nfs/dbraw/zinc/83/23/33/1048832333.db2.gz XQCAYSPGUOMDOY-UHFFFAOYSA-N 0 0 335.403 4.263 20 10 EICDRN CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816570343 1048836431 /nfs/dbraw/zinc/83/64/31/1048836431.db2.gz QVIFFKOGQAYMJV-MRXNPFEDSA-N 0 0 341.451 4.099 20 10 EICDRN COc1ccc(N(C)Cc2ncc(CSC)s2)cc1Cl ZINC000816565778 1048836981 /nfs/dbraw/zinc/83/69/81/1048836981.db2.gz BJZSNOSAYNHJPI-UHFFFAOYSA-N 0 0 328.890 4.305 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000816564591 1048837622 /nfs/dbraw/zinc/83/76/22/1048837622.db2.gz KSFXPSFVLAKSQF-HNNXBMFYSA-N 0 0 339.769 4.327 20 10 EICDRN CO[C@H]1CCOc2c(NCc3cc(Cl)c(F)cc3O)cccc21 ZINC000816595058 1048840160 /nfs/dbraw/zinc/84/01/60/1048840160.db2.gz XZAVVGHRJLIFDG-INIZCTEOSA-N 0 0 337.778 4.267 20 10 EICDRN Cn1ccc2ccc(NCc3ccc4ccccc4c3O)cc2c1=O ZINC000816604070 1048842181 /nfs/dbraw/zinc/84/21/81/1048842181.db2.gz XBTJLFHDNMYHAW-UHFFFAOYSA-N 0 0 330.387 4.009 20 10 EICDRN COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816601075 1048842625 /nfs/dbraw/zinc/84/26/25/1048842625.db2.gz QGANRJDJHWIPEF-HNNXBMFYSA-N 0 0 339.769 4.110 20 10 EICDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1ccccc1O ZINC000816602130 1048842719 /nfs/dbraw/zinc/84/27/19/1048842719.db2.gz 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1049866696 /nfs/dbraw/zinc/86/66/96/1049866696.db2.gz QWQLXJRVRSRHRU-UHFFFAOYSA-N 0 0 348.450 4.305 20 10 EICDRN Cc1cc(C(=O)Nc2ccnc(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC001136786639 1049881514 /nfs/dbraw/zinc/88/15/14/1049881514.db2.gz HPYNAJKQPOEEDV-UHFFFAOYSA-N 0 0 339.826 4.125 20 10 EICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(OC2CCCC2)c1 ZINC000180629885 1049923093 /nfs/dbraw/zinc/92/30/93/1049923093.db2.gz KPCIFSYFLFTRPT-PKNBQFBNSA-N 0 0 339.391 4.071 20 10 EICDRN Oc1c(CNc2cc3[nH]cnc3cc2F)cc(Cl)c2cccnc12 ZINC001168525976 1050120726 /nfs/dbraw/zinc/12/07/26/1050120726.db2.gz NWJOIQDDXGBCPC-UHFFFAOYSA-N 0 0 342.761 4.221 20 10 EICDRN N#Cc1cccc(COc2ccc(NCc3ccccc3O)cc2)c1 ZINC000181429073 1050123577 /nfs/dbraw/zinc/12/35/77/1050123577.db2.gz MXAFGPBSCNDALJ-UHFFFAOYSA-N 0 0 330.387 4.455 20 10 EICDRN C[C@H](NC(=O)N[C@@H]1CCCc2sccc21)c1ccc(N(C)C)cc1 ZINC000773618386 1050156172 /nfs/dbraw/zinc/15/61/72/1050156172.db2.gz PTWJLBDHPCFQEV-SUMWQHHRSA-N 0 0 343.496 4.252 20 10 EICDRN C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773615298 1050159477 /nfs/dbraw/zinc/15/94/77/1050159477.db2.gz CPACCUYXVZSDNF-JKSUJKDBSA-N 0 0 337.467 4.143 20 10 EICDRN Cc1cc(C(=O)N[C@H]2CC23CCC3)c(C)n1-c1cccc(Cl)c1 ZINC001177259087 1050165893 /nfs/dbraw/zinc/16/58/93/1050165893.db2.gz HCKAQQHKQXRYJH-KRWDZBQOSA-N 0 0 328.843 4.420 20 10 EICDRN COc1c([O-])c(C[NH2+][C@@H](CC(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000774940764 1050167926 /nfs/dbraw/zinc/16/79/26/1050167926.db2.gz BXYXNICOHLUJCQ-INIZCTEOSA-N 0 0 344.411 4.186 20 10 EICDRN C[C@H](NC(=O)N1CCCc2sccc2C1)c1ccc(N(C)C)cc1 ZINC000773627558 1050173351 /nfs/dbraw/zinc/17/33/51/1050173351.db2.gz OWBVTIRLYGZCBQ-AWEZNQCLSA-N 0 0 343.496 4.033 20 10 EICDRN Cc1cc2ccccc2nc1-c1noc(-c2nnsc2C(C)C)n1 ZINC001212687446 1050184837 /nfs/dbraw/zinc/18/48/37/1050184837.db2.gz TYKBEOHUSTXNOI-UHFFFAOYSA-N 0 0 337.408 4.235 20 10 EICDRN Oc1c(F)cc(F)cc1CNc1cccc(OCc2cccnc2)c1 ZINC001177345353 1050197223 /nfs/dbraw/zinc/19/72/23/1050197223.db2.gz DOJDUPJJGNIIPT-UHFFFAOYSA-N 0 0 342.345 4.257 20 10 EICDRN Cc1nnc(CC(=O)Nc2ccc(N=Nc3ccccc3C)cc2C)[nH]1 ZINC001177439928 1050219966 /nfs/dbraw/zinc/21/99/66/1050219966.db2.gz NUGCPDVOBCVICY-WCWDXBQESA-N 0 0 348.410 4.327 20 10 EICDRN Cc1cc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)on1 ZINC000181584962 1050231361 /nfs/dbraw/zinc/23/13/61/1050231361.db2.gz QWOGUPCYQMKRID-OAHLLOKOSA-N 0 0 336.391 4.092 20 10 EICDRN Cc1cc(C)c(CNC(=O)Cc2c(C)nc3ccccc3c2C)c(O)c1 ZINC001186280039 1050280963 /nfs/dbraw/zinc/28/09/63/1050280963.db2.gz ZNVMJDLIXHIQTO-UHFFFAOYSA-N 0 0 348.446 4.033 20 10 EICDRN C[C@@H](C(=O)N(Cc1ccccc1)c1ccc(N)cc1)c1cccnc1 ZINC001177792017 1050303118 /nfs/dbraw/zinc/30/31/18/1050303118.db2.gz YDMGOWIHODEDJG-MRXNPFEDSA-N 0 0 331.419 4.001 20 10 EICDRN CC(=O)Nc1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1F ZINC001212709451 1050332084 /nfs/dbraw/zinc/33/20/84/1050332084.db2.gz UOCVOBPAQUCTBI-UHFFFAOYSA-N 0 0 349.365 4.154 20 10 EICDRN CC(C)n1ncc2ccc(NCc3ccc(N(C)C)c(F)c3)cc21 ZINC001178021046 1050357280 /nfs/dbraw/zinc/35/72/80/1050357280.db2.gz NWBXEHJPMOKMAR-UHFFFAOYSA-N 0 0 326.419 4.434 20 10 EICDRN Cn1cnc2cc(NCc3cccc(Oc4ccccn4)c3)ccc21 ZINC001178037671 1050372983 /nfs/dbraw/zinc/37/29/83/1050372983.db2.gz WERCDMDQNXOMKH-UHFFFAOYSA-N 0 0 330.391 4.373 20 10 EICDRN COc1ccc(NCc2ccc(N(C)Cc3cccs3)cc2)cn1 ZINC001178143858 1050387328 /nfs/dbraw/zinc/38/73/28/1050387328.db2.gz UUHBJYAQNVMJRB-UHFFFAOYSA-N 0 0 339.464 4.400 20 10 EICDRN COc1c(O)c(CNc2cccc3ccsc32)ccc1[N+](=O)[O-] ZINC000775051065 1050414210 /nfs/dbraw/zinc/41/42/10/1050414210.db2.gz MAQZVRIRNIRNMQ-UHFFFAOYSA-N 0 0 330.365 4.136 20 10 EICDRN CCN(CC)c1ccc(CNc2ccc(-c3n[nH]c(C)n3)cc2)cc1 ZINC001178228817 1050417283 /nfs/dbraw/zinc/41/72/83/1050417283.db2.gz ZVWWVOVONLCZBE-UHFFFAOYSA-N 0 0 335.455 4.238 20 10 EICDRN CN(C)c1ccc(CNC(=O)CC2CCC(C(F)(F)F)CC2)cc1 ZINC000182004422 1050424070 /nfs/dbraw/zinc/42/40/70/1050424070.db2.gz KUDMRYUIGSAYJF-UHFFFAOYSA-N 0 0 342.405 4.128 20 10 EICDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CCC(F)(F)C2)cc1 ZINC001186888255 1050436210 /nfs/dbraw/zinc/43/62/10/1050436210.db2.gz KVDQLPFKHYFBFX-OAHLLOKOSA-N 0 0 330.378 4.237 20 10 EICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC1CCCCC1 ZINC001186862957 1050439987 /nfs/dbraw/zinc/43/99/87/1050439987.db2.gz KDVKAJAVBANGMK-UHFFFAOYSA-N 0 0 329.488 4.009 20 10 EICDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001186922854 1050447776 /nfs/dbraw/zinc/44/77/76/1050447776.db2.gz QDYZCCRQKVJOSN-BZUAXINKSA-N 0 0 336.391 4.426 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC001178469472 1050477182 /nfs/dbraw/zinc/47/71/82/1050477182.db2.gz PEGCXEJWEGJWBT-LBPRGKRZSA-N 0 0 346.160 4.201 20 10 EICDRN CCc1nsc(NCCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001187216253 1050511292 /nfs/dbraw/zinc/51/12/92/1050511292.db2.gz YWADJBMFUQRGBW-UHFFFAOYSA-N 0 0 326.469 4.163 20 10 EICDRN C[C@@H](NC(=O)Nc1cccc(Br)c1)c1ccccc1O ZINC001187476613 1050553168 /nfs/dbraw/zinc/55/31/68/1050553168.db2.gz YILWDWOFTQDKSA-SNVBAGLBSA-N 0 0 335.201 4.037 20 10 EICDRN O=C(NCc1cc2ccccc2cc1O)Nc1cc(F)cc(F)c1 ZINC001187594620 1050571211 /nfs/dbraw/zinc/57/12/11/1050571211.db2.gz BEPZQXFZNDZFDN-UHFFFAOYSA-N 0 0 328.318 4.145 20 10 EICDRN CN(C)c1ccc(CN2CC[C@H](CF)C(F)(F)C2)c2ccccc21 ZINC001204232543 1050580276 /nfs/dbraw/zinc/58/02/76/1050580276.db2.gz FLRKTACJWVAOGA-OAHLLOKOSA-N 0 0 336.401 4.333 20 10 EICDRN COc1ccc(-n2c(N)c(/N=N/c3ccccc3)ccc2=N)cc1F ZINC001173861166 1050590140 /nfs/dbraw/zinc/59/01/40/1050590140.db2.gz DDLKZNMIFAKVKT-UKLSTIIHSA-N 0 0 337.358 4.102 20 10 EICDRN O=C(C[C@]12CCCC[C@H]1C2(F)F)NCc1c(O)ccc2ccccc21 ZINC001179032912 1050622598 /nfs/dbraw/zinc/62/25/98/1050622598.db2.gz RHFCCMAFMZPKHV-IEBWSBKVSA-N 0 0 345.389 4.377 20 10 EICDRN Cc1cccnc1CNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000243156192 1050623944 /nfs/dbraw/zinc/62/39/44/1050623944.db2.gz JPJFEGFECKLAKR-UHFFFAOYSA-N 0 0 326.252 4.183 20 10 EICDRN COc1ccc(O)c([C@@H](C)NCc2ncc(-c3ccccc3F)o2)c1 ZINC000182370387 1050628556 /nfs/dbraw/zinc/62/85/56/1050628556.db2.gz AFXWURQXZJVAMK-GFCCVEGCSA-N 0 0 342.370 4.046 20 10 EICDRN [O-]c1c(Br)cccc1C[NH2+]Cc1cc(Cl)ccc1F ZINC000775147451 1050631563 /nfs/dbraw/zinc/63/15/63/1050631563.db2.gz SFXJHEHXZNWXRV-UHFFFAOYSA-N 0 0 344.611 4.237 20 10 EICDRN CN(C)c1ccc(CN[C@@H](CCc2ccccc2)C(F)F)cc1F ZINC001179159518 1050644267 /nfs/dbraw/zinc/64/42/67/1050644267.db2.gz MVHIHDMNACAMDM-KRWDZBQOSA-N 0 0 336.401 4.248 20 10 EICDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cccc(F)c1F ZINC001173945173 1050659165 /nfs/dbraw/zinc/65/91/65/1050659165.db2.gz LVLWXLNKJMSWKX-NFTWOGHHSA-N 0 0 325.322 4.233 20 10 EICDRN CC(C)N(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)c1ccccc1 ZINC001179686808 1050747805 /nfs/dbraw/zinc/74/78/05/1050747805.db2.gz AGYFDBUWSBPDRL-PABFRNLHSA-N 0 0 325.408 4.109 20 10 EICDRN CC[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(N(C)C)cc1 ZINC000182660953 1050788856 /nfs/dbraw/zinc/78/88/56/1050788856.db2.gz BJRFXHMRQMUJPS-HXUWFJFHSA-N 0 0 337.467 4.208 20 10 EICDRN CCN(C)c1ccc([C@@H](C)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000182663022 1050790838 /nfs/dbraw/zinc/79/08/38/1050790838.db2.gz DYZHTHKFZBEMDR-OAHLLOKOSA-N 0 0 337.467 4.208 20 10 EICDRN Cc1ccc(C[C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001179858518 1050806418 /nfs/dbraw/zinc/80/64/18/1050806418.db2.gz GCJLMCMWKMHEDX-INIZCTEOSA-N 0 0 331.406 4.434 20 10 EICDRN O=C(C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC001179925459 1050819752 /nfs/dbraw/zinc/81/97/52/1050819752.db2.gz PZFSZXUGJFJKQP-INIZCTEOSA-N 0 0 347.817 4.422 20 10 EICDRN COc1cccc(CN2CCn3c(cc4ccc(Cl)cc43)C2)c1O ZINC000775207274 1050861273 /nfs/dbraw/zinc/86/12/73/1050861273.db2.gz UDHOVIARJANHLG-UHFFFAOYSA-N 0 0 342.826 4.025 20 10 EICDRN C[C@@H](CC(=O)N(Cc1ccccc1)c1ccc(N)cc1)C(F)(F)F ZINC001180089659 1050864707 /nfs/dbraw/zinc/86/47/07/1050864707.db2.gz RYNNNNPZHFSRCI-ZDUSSCGKSA-N 0 0 336.357 4.391 20 10 EICDRN Cc1cc(NC(=O)/C=C/c2ccc(N(C)C)cc2)cc2scnc21 ZINC001180128776 1050881540 /nfs/dbraw/zinc/88/15/40/1050881540.db2.gz UFLFBQANQARQHJ-RMKNXTFCSA-N 0 0 337.448 4.323 20 10 EICDRN Cc1c(C)c(NC(=O)/C=C/c2ccc(N(C)C)cc2)c(C)c(C)c1N ZINC001180128829 1050882442 /nfs/dbraw/zinc/88/24/42/1050882442.db2.gz WDAYTNYNHZZVOI-FMIVXFBMSA-N 0 0 337.467 4.220 20 10 EICDRN C[N@H+](Cc1ccoc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001180157360 1050904971 /nfs/dbraw/zinc/90/49/71/1050904971.db2.gz HIUXUJXQDNFDFQ-UHFFFAOYSA-N 0 0 330.609 4.033 20 10 EICDRN CN(Cc1cc(F)c(F)cc1O)[C@H](c1ccccc1)C(F)(F)F ZINC001180213662 1050915996 /nfs/dbraw/zinc/91/59/96/1050915996.db2.gz WVUSCWYVHKLWAZ-OAHLLOKOSA-N 0 0 331.284 4.406 20 10 EICDRN Cc1ccc(Nc2ccc3ncnn3c2)c(C(=O)c2ccccc2)c1 ZINC001174375590 1050937554 /nfs/dbraw/zinc/93/75/54/1050937554.db2.gz GSNHDNGCZBECPC-UHFFFAOYSA-N 0 0 328.375 4.012 20 10 EICDRN COc1ccc(N(Cc2cn(C)nc2Cl)Cc2ccccc2)cc1 ZINC001180295948 1050959281 /nfs/dbraw/zinc/95/92/81/1050959281.db2.gz CUMLSEKGJXJWAV-UHFFFAOYSA-N 0 0 341.842 4.289 20 10 EICDRN CC(C)(O)c1cccc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001174408685 1050983149 /nfs/dbraw/zinc/98/31/49/1050983149.db2.gz XTOXDNHMYNNPNB-UHFFFAOYSA-N 0 0 332.403 4.284 20 10 EICDRN C/C(=C/c1ccccc1Cl)C(=O)NCc1cccc(Cl)c1O ZINC001180410501 1050991387 /nfs/dbraw/zinc/99/13/87/1050991387.db2.gz QSZWFAQLVQKYRY-LUAWRHEFSA-N 0 0 336.218 4.419 20 10 EICDRN CC/C(=C/C(=O)NCc1cccc(Cl)c1O)c1ccc(OC)cc1 ZINC001180410994 1050995253 /nfs/dbraw/zinc/99/52/53/1050995253.db2.gz WFCMIOKTKSRMKN-QBFSEMIESA-N 0 0 345.826 4.164 20 10 EICDRN COc1ccc(CNc2ccc(C(F)(F)F)c(C)c2)c(O)c1OC ZINC001180488452 1051005201 /nfs/dbraw/zinc/00/52/01/1051005201.db2.gz NOTHMQLIRNEJQE-UHFFFAOYSA-N 0 0 341.329 4.349 20 10 EICDRN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2C)c(C)c(C)c1O ZINC000775291919 1051039318 /nfs/dbraw/zinc/03/93/18/1051039318.db2.gz RFHHWDAAROAZKP-UHFFFAOYSA-N 0 0 339.844 4.080 20 10 EICDRN Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C)c(C)c1O ZINC000775292229 1051042011 /nfs/dbraw/zinc/04/20/11/1051042011.db2.gz WTVNIWRKGGTZKR-UHFFFAOYSA-N 0 0 333.453 4.242 20 10 EICDRN Cc1cc(O)c(CN2CCO[C@@H](CCc3ccccc3)C2)cc1Cl ZINC001180665309 1051058833 /nfs/dbraw/zinc/05/88/33/1051058833.db2.gz MRSHKULQFSLNBH-SFHVURJKSA-N 0 0 345.870 4.188 20 10 EICDRN Oc1c(F)cccc1CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC001180716062 1051062697 /nfs/dbraw/zinc/06/26/97/1051062697.db2.gz NNSMWYPZGWPMHF-UHFFFAOYSA-N 0 0 341.304 4.383 20 10 EICDRN CCO[C@H](C)n1cc(Nc2ccccc2C(=O)c2ccccc2)cn1 ZINC001174695785 1051160113 /nfs/dbraw/zinc/16/01/13/1051160113.db2.gz DDCJBJLTGKNJLS-OAHLLOKOSA-N 0 0 335.407 4.413 20 10 EICDRN CCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C)cc1 ZINC001190445170 1051174700 /nfs/dbraw/zinc/17/47/00/1051174700.db2.gz QNXJGZJNIBXUCB-UHFFFAOYSA-N 0 0 347.480 4.497 20 10 EICDRN CN(C)c1cc(F)c(CN2CC[C@](F)(c3ccccc3)C2)cc1F ZINC001181214205 1051187047 /nfs/dbraw/zinc/18/70/47/1051187047.db2.gz ROBLFTMFOJHQAA-LJQANCHMSA-N 0 0 334.385 4.102 20 10 EICDRN CCCc1cccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)c1 ZINC000773908353 1051190042 /nfs/dbraw/zinc/19/00/42/1051190042.db2.gz NNAZTBLGDMLMCS-LFIBNONCSA-N 0 0 340.473 4.440 20 10 EICDRN C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1O ZINC000183651148 1051223788 /nfs/dbraw/zinc/22/37/88/1051223788.db2.gz VBXBXZKTGDUABQ-KFWWJZLASA-N 0 0 344.430 4.318 20 10 EICDRN Cc1ccc(C[C@@H](C)[NH2+]Cc2cccc(Br)c2[O-])cc1 ZINC001181464560 1051233974 /nfs/dbraw/zinc/23/39/74/1051233974.db2.gz NZLHUZFLQPARHS-CYBMUJFWSA-N 0 0 334.257 4.184 20 10 EICDRN C[C@@H](NC(=O)c1ccc(F)c(Cl)c1F)c1ccc(N(C)C)cc1 ZINC000775406207 1051258443 /nfs/dbraw/zinc/25/84/43/1051258443.db2.gz VYCJGCNLLPKLPG-SNVBAGLBSA-N 0 0 338.785 4.175 20 10 EICDRN CSc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775409684 1051273240 /nfs/dbraw/zinc/27/32/40/1051273240.db2.gz OAGUHTOCKDBPED-CYBMUJFWSA-N 0 0 329.469 4.357 20 10 EICDRN COc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775422584 1051310631 /nfs/dbraw/zinc/31/06/31/1051310631.db2.gz UOIQAZAOXPIOIL-LBPRGKRZSA-N 0 0 347.846 4.297 20 10 EICDRN CN(C)c1ccc(N=Nc2cccc(C(=O)Nc3c[nH]cn3)c2)cc1 ZINC001190963536 1051313048 /nfs/dbraw/zinc/31/30/48/1051313048.db2.gz CHANECOOAIFHBD-UHFFFAOYSA-N 0 0 334.383 4.143 20 10 EICDRN C/C(=C\C(=O)N1Cc2cccc(O)c2C1)c1cccc(C(F)(F)F)c1 ZINC001175031979 1051325728 /nfs/dbraw/zinc/32/57/28/1051325728.db2.gz WNELJWREFPIMGX-XYOKQWHBSA-N 0 0 347.336 4.357 20 10 EICDRN O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1CC12CCCCC2 ZINC001181908243 1051347418 /nfs/dbraw/zinc/34/74/18/1051347418.db2.gz JPGKWURLDVPLBW-CQSZACIVSA-N 0 0 344.842 4.180 20 10 EICDRN C[C@H](NC(=O)Nc1ccc(F)cc1Cl)c1ccc(N(C)C)cc1 ZINC000775429753 1051347740 /nfs/dbraw/zinc/34/77/40/1051347740.db2.gz ZDWUSCFJYJPKFC-NSHDSACASA-N 0 0 335.810 4.428 20 10 EICDRN CN(C)c1cc(F)c(CN2CC(C)(C)[C@@H]2c2cccnc2)cc1F ZINC001181944901 1051359514 /nfs/dbraw/zinc/35/95/14/1051359514.db2.gz GATCWXRYXSVTJS-SFHVURJKSA-N 0 0 331.410 4.009 20 10 EICDRN O=C(c1ccncc1)c1ccccc1Nc1cc(F)c(F)cc1F ZINC001175091018 1051375451 /nfs/dbraw/zinc/37/54/51/1051375451.db2.gz IXIVVDICRJXEPK-UHFFFAOYSA-N 0 0 328.293 4.474 20 10 EICDRN C[C@H](NC(=O)Nc1cccc(Cl)c1F)c1ccc(N(C)C)cc1 ZINC000775449153 1051420460 /nfs/dbraw/zinc/42/04/60/1051420460.db2.gz WNFIZXBZPIKZLZ-NSHDSACASA-N 0 0 335.810 4.428 20 10 EICDRN C[C@H](NC(=O)Nc1cc(Cl)ccc1F)c1ccc(N(C)C)cc1 ZINC000775453699 1051441341 /nfs/dbraw/zinc/44/13/41/1051441341.db2.gz JSTNEMAQUPQMRK-NSHDSACASA-N 0 0 335.810 4.428 20 10 EICDRN COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC001182297334 1051474361 /nfs/dbraw/zinc/47/43/61/1051474361.db2.gz CZYULKADCBDVAZ-JTQLQIEISA-N 0 0 341.785 4.053 20 10 EICDRN C[C@@H]([NH2+]CCc1ccc(O)cc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774145684 1051478954 /nfs/dbraw/zinc/47/89/54/1051478954.db2.gz AFFHMNYBJLEAJA-SNVBAGLBSA-N 0 0 326.223 4.298 20 10 EICDRN C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(Cl)c(Cl)cc1[O-] ZINC000774165751 1051491411 /nfs/dbraw/zinc/49/14/11/1051491411.db2.gz YEFYZAZIZZBXCF-JTQLQIEISA-N 0 0 338.234 4.485 20 10 EICDRN C[C@H]([NH2+]CC1(CCO)CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774204924 1051499432 /nfs/dbraw/zinc/49/94/32/1051499432.db2.gz VDYZCUOSLDGESK-NSHDSACASA-N 0 0 332.271 4.292 20 10 EICDRN CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774204311 1051499536 /nfs/dbraw/zinc/49/95/36/1051499536.db2.gz SSLHDRHPNLNNSN-RYUDHWBXSA-N 0 0 334.287 4.394 20 10 EICDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001182355754 1051523808 /nfs/dbraw/zinc/52/38/08/1051523808.db2.gz FWWASZRFQOVQMD-NSHDSACASA-N 0 0 344.680 4.430 20 10 EICDRN COc1ccc(O)c(CNc2ccc(N(C)C)c(C(F)(F)F)c2)c1 ZINC001182410742 1051536530 /nfs/dbraw/zinc/53/65/30/1051536530.db2.gz TUGGHVQMOZLNDZ-UHFFFAOYSA-N 0 0 340.345 4.098 20 10 EICDRN C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774270501 1051538927 /nfs/dbraw/zinc/53/89/27/1051538927.db2.gz FFKIWHCSSFWRFZ-QWRGUYRKSA-N 0 0 346.254 4.035 20 10 EICDRN C[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(Cl)c(Cl)cc1O ZINC000774315933 1051552355 /nfs/dbraw/zinc/55/23/55/1051552355.db2.gz RAKDXAIBYXGINI-SNVBAGLBSA-N 0 0 349.221 4.453 20 10 EICDRN Cn1ncc2cc(N(Cc3ccccc3)c3ccc(N)cc3)ccc21 ZINC001175423023 1051582951 /nfs/dbraw/zinc/58/29/51/1051582951.db2.gz UQWUELJPQCDZNY-UHFFFAOYSA-N 0 0 328.419 4.494 20 10 EICDRN Cn1ncc2cc(Nc3ccccc3Cc3ccc(N)cc3)ccc21 ZINC001175422309 1051585056 /nfs/dbraw/zinc/58/50/56/1051585056.db2.gz LIIIVPGWGLESTR-UHFFFAOYSA-N 0 0 328.419 4.490 20 10 EICDRN C[S@@](=O)c1ccc(N(Cc2ccccc2)c2ccc(N)cc2)cc1 ZINC001175478710 1051607450 /nfs/dbraw/zinc/60/74/50/1051607450.db2.gz JEPIQJKDRSPRNQ-XMMPIXPASA-N 0 0 336.460 4.345 20 10 EICDRN CCOc1ccc(N(CC)CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC001192013332 1051612032 /nfs/dbraw/zinc/61/20/32/1051612032.db2.gz MAFGBGBZDFVMNH-UHFFFAOYSA-N 0 0 336.476 4.169 20 10 EICDRN C[C@H](NC(=O)Nc1ccc2ncsc2c1)c1ccc(N(C)C)cc1 ZINC000775497629 1051619257 /nfs/dbraw/zinc/61/92/57/1051619257.db2.gz SWIYTPCNTDUITB-LBPRGKRZSA-N 0 0 340.452 4.245 20 10 EICDRN CCN(CCOc1ccc(SC)cc1)c1ccc(OC)c(OC)c1 ZINC001192107745 1051632655 /nfs/dbraw/zinc/63/26/55/1051632655.db2.gz LLVZNZJBHZCEKV-UHFFFAOYSA-N 0 0 347.480 4.331 20 10 EICDRN Cc1ccc2n[nH]cc2c1Nc1ccccc1C(=O)c1ccncc1 ZINC001175527019 1051652456 /nfs/dbraw/zinc/65/24/56/1051652456.db2.gz BAJRHLFAPZLXND-UHFFFAOYSA-N 0 0 328.375 4.241 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513773 1051662109 /nfs/dbraw/zinc/66/21/09/1051662109.db2.gz MISSACXLXSZHDX-CYBMUJFWSA-N 0 0 329.202 4.474 20 10 EICDRN CC(C)c1ccccc1NC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001192243615 1051664011 /nfs/dbraw/zinc/66/40/11/1051664011.db2.gz KLDPSPZLMSNEEK-UHFFFAOYSA-N 0 0 340.423 4.202 20 10 EICDRN CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775519025 1051683456 /nfs/dbraw/zinc/68/34/56/1051683456.db2.gz LAKACLNRTIFQQF-LBPRGKRZSA-N 0 0 347.286 4.045 20 10 EICDRN CC[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524688 1051705807 /nfs/dbraw/zinc/70/58/07/1051705807.db2.gz WDLJRRLPVTXVLB-GMSGAONNSA-N 0 0 346.176 4.053 20 10 EICDRN CC[C@@H](Nc1cnn(Cc2ccccn2)c1)c1cc(Cl)ccc1O ZINC000775542245 1051790155 /nfs/dbraw/zinc/79/01/55/1051790155.db2.gz LSJIKVDSHPTEBJ-QGZVFWFLSA-N 0 0 342.830 4.249 20 10 EICDRN CC[C@H](Nc1cnn(Cc2ccncc2)c1)c1cc(Cl)ccc1O ZINC000775542651 1051795145 /nfs/dbraw/zinc/79/51/45/1051795145.db2.gz QZXFRBYGTDQUQO-KRWDZBQOSA-N 0 0 342.830 4.249 20 10 EICDRN Cc1cc(C(=O)Nc2c[nH]nc2Cl)c(C)n1-c1ccc(Cl)cc1 ZINC001183286173 1051826888 /nfs/dbraw/zinc/82/68/88/1051826888.db2.gz WKTFFGZHKRDWSS-UHFFFAOYSA-N 0 0 349.221 4.376 20 10 EICDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1cc(Cl)cc(Cl)c1F ZINC001183355130 1051827018 /nfs/dbraw/zinc/82/70/18/1051827018.db2.gz LHPIPSADCMYLJK-UHFFFAOYSA-N 0 0 336.140 4.406 20 10 EICDRN COc1ccc2nc(CN(C)Cc3ccc(N(C)C)cc3)sc2c1 ZINC000775565632 1051860292 /nfs/dbraw/zinc/86/02/92/1051860292.db2.gz OAJKIFPDUYYXSW-UHFFFAOYSA-N 0 0 341.480 4.003 20 10 EICDRN COc1cc(C(=O)Nc2cccc(-c3cccs3)c2)cc(O)c1O ZINC001193103919 1051871002 /nfs/dbraw/zinc/87/10/02/1051871002.db2.gz CUROMMPMZFAIFA-UHFFFAOYSA-N 0 0 341.388 4.087 20 10 EICDRN CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])CCO2 ZINC000775574226 1051876198 /nfs/dbraw/zinc/87/61/98/1051876198.db2.gz OJSOHHMRDMNUDV-PIGZYNQJSA-N 0 0 349.377 4.244 20 10 EICDRN CCCCN(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1Cl ZINC001193226113 1051891531 /nfs/dbraw/zinc/89/15/31/1051891531.db2.gz XXIZIXKNJIHDSX-UHFFFAOYSA-N 0 0 333.815 4.194 20 10 EICDRN Cc1c[nH]c(C)c1C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001193369318 1051912431 /nfs/dbraw/zinc/91/24/31/1051912431.db2.gz UWROAMNZXNHQFC-GOSISDBHSA-N 0 0 326.440 4.007 20 10 EICDRN Cc1sccc1C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001193387876 1051914979 /nfs/dbraw/zinc/91/49/79/1051914979.db2.gz MDOMRTAOEBAFOQ-KRWDZBQOSA-N 0 0 329.465 4.432 20 10 EICDRN CC(C)(CC1CCC1)C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001183938103 1051922496 /nfs/dbraw/zinc/92/24/96/1051922496.db2.gz WRKQFOYKEVWZMX-UHFFFAOYSA-N 0 0 346.858 4.426 20 10 EICDRN C[C@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ncn(C)n1 ZINC000780692578 1051954209 /nfs/dbraw/zinc/95/42/09/1051954209.db2.gz BOZNRTWIFMIYPR-ZDUSSCGKSA-N 0 0 349.398 4.113 20 10 EICDRN CN(C)c1ccc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001203586114 1051994490 /nfs/dbraw/zinc/99/44/90/1051994490.db2.gz LGDDWOVUORUGDW-UHFFFAOYSA-N 0 0 339.266 4.397 20 10 EICDRN C[C@@H]1CCC[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001184512498 1052038560 /nfs/dbraw/zinc/03/85/60/1052038560.db2.gz NZRGBRPDSRCHHA-VXGBXAGGSA-N 0 0 332.831 4.036 20 10 EICDRN COc1ccc(N(c2ccc(N)cc2)c2ccc3c(c2)CC(=O)N3)cc1 ZINC001176431031 1052053771 /nfs/dbraw/zinc/05/37/71/1052053771.db2.gz XZKUNGSQYMDCDB-UHFFFAOYSA-N 0 0 345.402 4.242 20 10 EICDRN O=C(NCc1ccc(N2CCCC2)cc1)Oc1ccc(Cl)cc1 ZINC001194068106 1052067772 /nfs/dbraw/zinc/06/77/72/1052067772.db2.gz SYBIYIFJKCNHGH-UHFFFAOYSA-N 0 0 330.815 4.229 20 10 EICDRN O=C(N1CCc2cccc(O)c2C1)C1(CC2CC2)CCC(F)(F)CC1 ZINC001184665434 1052075176 /nfs/dbraw/zinc/07/51/76/1052075176.db2.gz ZTXLKZHIIZKPRE-UHFFFAOYSA-N 0 0 349.421 4.273 20 10 EICDRN O=S(=O)(Nc1ccc(O)cc1F)c1ccc(-c2cccs2)cc1 ZINC001194161558 1052091981 /nfs/dbraw/zinc/09/19/81/1052091981.db2.gz FCFAXZLSJWMJFJ-UHFFFAOYSA-N 0 0 349.408 4.061 20 10 EICDRN Cc1csc2ncnc(N(Cc3ccc(N(C)C)cc3)C3CC3)c12 ZINC001184958581 1052133148 /nfs/dbraw/zinc/13/31/48/1052133148.db2.gz RNMWTBBCDHDKDD-UHFFFAOYSA-N 0 0 338.480 4.235 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncccc1C1CCC1 ZINC001185266331 1052207742 /nfs/dbraw/zinc/20/77/42/1052207742.db2.gz RSBSSKUNPLTJPT-UHFFFAOYSA-N 0 0 337.467 4.077 20 10 EICDRN C[C@@H](NC(=O)N1CCC[C@@H]1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000773610194 1052221770 /nfs/dbraw/zinc/22/17/70/1052221770.db2.gz CBKMSPIPFVRSIY-DNVCBOLYSA-N 0 0 329.488 4.178 20 10 EICDRN C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000184856769 1052265739 /nfs/dbraw/zinc/26/57/39/1052265739.db2.gz QYFNNNIWGPURNU-YOEHRIQHSA-N 0 0 332.419 4.002 20 10 EICDRN CC[C@H](C)Oc1cc(N(CC)Cc2ccc(N(C)C)cc2)nc(C)n1 ZINC001185725962 1052288365 /nfs/dbraw/zinc/28/83/65/1052288365.db2.gz BQTAKXVOXJGRQZ-HNNXBMFYSA-N 0 0 342.487 4.055 20 10 EICDRN CC[C@@H]1CCCC[C@@H]1N(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001185746939 1052291671 /nfs/dbraw/zinc/29/16/71/1052291671.db2.gz WVMMWAIZHDIZIW-QLZIMGNHSA-N 0 0 346.427 4.186 20 10 EICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc2ccccc21 ZINC000184925998 1052302737 /nfs/dbraw/zinc/30/27/37/1052302737.db2.gz SMPKKRRCSDIGOD-CYBMUJFWSA-N 0 0 336.391 4.004 20 10 EICDRN COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c(C(F)(F)F)c1 ZINC000185309803 1052576102 /nfs/dbraw/zinc/57/61/02/1052576102.db2.gz ISWUHPGFXZQBTF-SNVBAGLBSA-N 0 0 343.320 4.410 20 10 EICDRN CCOc1cccc(CNc2ccc(OC(C)C)c(OC)c2)c1O ZINC000185464864 1052610851 /nfs/dbraw/zinc/61/08/51/1052610851.db2.gz OJPMVYYLLVLHJH-UHFFFAOYSA-N 0 0 331.412 4.199 20 10 EICDRN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000186003357 1052841368 /nfs/dbraw/zinc/84/13/68/1052841368.db2.gz OHEXVZREQBEKDX-SJKOYZFVSA-N 0 0 339.357 4.104 20 10 EICDRN CCc1cc(Br)ccc1NC(=O)NCc1ccccc1O ZINC000764229292 1053046279 /nfs/dbraw/zinc/04/62/79/1053046279.db2.gz JEHTVOGEWLTLPX-UHFFFAOYSA-N 0 0 349.228 4.039 20 10 EICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(F)c(Cl)c1F ZINC000775614076 1053105904 /nfs/dbraw/zinc/10/59/04/1053105904.db2.gz RXBYEVKMIFPEBD-UHFFFAOYSA-N 0 0 336.769 4.471 20 10 EICDRN C[C@@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000775615285 1053111714 /nfs/dbraw/zinc/11/17/14/1053111714.db2.gz LEJZCOXZZRHFCU-CQSZACIVSA-N 0 0 349.438 4.025 20 10 EICDRN CC(C)c1ccc(C[C@@H]2CCN(C(=O)C3=CC(=O)CS3)C2)cc1 ZINC000764479942 1053128710 /nfs/dbraw/zinc/12/87/10/1053128710.db2.gz AASIFHCNELUHEF-HNNXBMFYSA-N 0 0 329.465 4.282 20 10 EICDRN COc1ccc(NCc2cc(Br)cc(C)c2O)c(F)c1 ZINC000864042220 1053185878 /nfs/dbraw/zinc/18/58/78/1053185878.db2.gz AKGDJOGNGFBFRA-UHFFFAOYSA-N 0 0 340.192 4.223 20 10 EICDRN CCCCc1nc(CN(C)c2ccc(-c3nccs3)cc2)no1 ZINC001194994645 1053222202 /nfs/dbraw/zinc/22/22/02/1053222202.db2.gz ZQDVWEOIKPWCFJ-UHFFFAOYSA-N 0 0 328.441 4.172 20 10 EICDRN C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000850505164 1053263803 /nfs/dbraw/zinc/26/38/03/1053263803.db2.gz NYFFSLAQKSLLKA-BMIGLBTASA-N 0 0 335.341 4.072 20 10 EICDRN CC[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850523458 1053281889 /nfs/dbraw/zinc/28/18/89/1053281889.db2.gz JBILHCSBKVENTM-RISCZKNCSA-N 0 0 330.255 4.451 20 10 EICDRN C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000850522442 1053282427 /nfs/dbraw/zinc/28/24/27/1053282427.db2.gz DTDNJNKZBRUJER-UWVGGRQHSA-N 0 0 343.320 4.067 20 10 EICDRN C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cccc(C(F)(F)F)c1[O-] ZINC000850542203 1053304019 /nfs/dbraw/zinc/30/40/19/1053304019.db2.gz JDJANUHXAWGTPL-QFYYESIMSA-N 0 0 337.341 4.455 20 10 EICDRN FC(F)(F)c1cccc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000120119520 1053318308 /nfs/dbraw/zinc/31/83/08/1053318308.db2.gz XBTIUWVMXNJQCA-UHFFFAOYSA-N 0 0 336.357 4.154 20 10 EICDRN COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])c1 ZINC000775644850 1053334454 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342.870 4.269 20 10 EICDRN COc1ccc(-c2nc(CNc3ccccc3NC(C)C)no2)cc1 ZINC000871845706 1054299122 /nfs/dbraw/zinc/29/91/22/1054299122.db2.gz IKIZDABNMNBKFZ-UHFFFAOYSA-N 0 0 338.411 4.178 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC001198919303 1054303920 /nfs/dbraw/zinc/30/39/20/1054303920.db2.gz WQNRFRNLXVZUCD-GOSISDBHSA-N 0 0 342.801 4.459 20 10 EICDRN O=C(C[C@H]1CCCc2ccccc21)NCc1cc(Cl)ccc1O ZINC000857547729 1054307272 /nfs/dbraw/zinc/30/72/72/1054307272.db2.gz RGMGADFQFWKVQU-CQSZACIVSA-N 0 0 329.827 4.172 20 10 EICDRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)c(F)c1Cl ZINC000857548054 1054307312 /nfs/dbraw/zinc/30/73/12/1054307312.db2.gz BLBDPDSSNQAGFS-UHFFFAOYSA-N 0 0 328.170 4.077 20 10 EICDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CCC2(C)C)cc1 ZINC000857585255 1054315632 /nfs/dbraw/zinc/31/56/32/1054315632.db2.gz WBOJNVXCCRHKHU-OAHLLOKOSA-N 0 0 342.405 4.080 20 10 EICDRN COc1cccc(CNC(=O)Nc2cccc(Cl)c2Cl)c1O ZINC000104973325 1054392677 /nfs/dbraw/zinc/39/26/77/1054392677.db2.gz 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/nfs/dbraw/zinc/73/53/05/1046735305.db2.gz JODGSRPBPOKLPA-UHFFFAOYSA-N 0 0 336.435 4.470 20 10 EICDRN CCCn1nccc1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000747210392 1046770422 /nfs/dbraw/zinc/77/04/22/1046770422.db2.gz DEPAWHUJJOECRG-UHFFFAOYSA-N 0 0 336.439 4.261 20 10 EICDRN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000917311262 1046838554 /nfs/dbraw/zinc/83/85/54/1046838554.db2.gz ZODMGRZYBMTBKU-UHFFFAOYSA-N 0 0 329.399 4.236 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)CCc2ccc3ccccc3c2)cc1 ZINC000917391191 1046868114 /nfs/dbraw/zinc/86/81/14/1046868114.db2.gz JHWFKUDCUXJCLC-UHFFFAOYSA-N 0 0 346.474 4.497 20 10 EICDRN CC[C@H](N[C@@H](C)c1cc(Br)ccc1O)C(F)(F)F ZINC000786976049 1046890325 /nfs/dbraw/zinc/89/03/25/1046890325.db2.gz YYFBHZHMMLROEB-CPCISQLKSA-N 0 0 326.156 4.146 20 10 EICDRN CCCc1nnc(NC(=O)c2sccc2-n2c(C)ccc2C)s1 ZINC000917448832 1046892985 /nfs/dbraw/zinc/89/29/85/1046892985.db2.gz HOFPGPPCGXSCHH-UHFFFAOYSA-N 0 0 346.481 4.212 20 10 EICDRN COc1cc2ccccc2cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000917524477 1046929933 /nfs/dbraw/zinc/92/99/33/1046929933.db2.gz APOHBWJRJGXFEP-UHFFFAOYSA-N 0 0 348.446 4.187 20 10 EICDRN COC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC000787302915 1046988061 /nfs/dbraw/zinc/98/80/61/1046988061.db2.gz MVYVINXXNUMTJB-OAHLLOKOSA-N 0 0 344.213 4.315 20 10 EICDRN Cc1cccc(NC(=S)NCCCN(C)c2ccccc2F)c1C ZINC000917599513 1047019103 /nfs/dbraw/zinc/01/91/03/1047019103.db2.gz SYADDRCMSUVIAJ-UHFFFAOYSA-N 0 0 345.487 4.255 20 10 EICDRN O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1C1CC1 ZINC000917644073 1047045081 /nfs/dbraw/zinc/04/50/81/1047045081.db2.gz SHDGGSJRSGFEEK-GDNBJRDFSA-N 0 0 327.430 4.310 20 10 EICDRN Cc1ncsc1/C=C/C(=O)N1CCCSc2ccc(F)cc21 ZINC000787990035 1047080236 /nfs/dbraw/zinc/08/02/36/1047080236.db2.gz KOVZSUBHYXFBHP-AATRIKPKSA-N 0 0 334.441 4.133 20 10 EICDRN Cc1ccc(/C=C\C(=O)N2CCCSc3ccc(F)cc32)cn1 ZINC000787986441 1047086377 /nfs/dbraw/zinc/08/63/77/1047086377.db2.gz DPCAAHKTTJGXNL-YVMONPNESA-N 0 0 328.412 4.071 20 10 EICDRN Cc1ccccc1C1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000788136113 1047115046 /nfs/dbraw/zinc/11/50/46/1047115046.db2.gz UVSYSLZVVYDCIU-UHFFFAOYSA-N 0 0 336.479 4.141 20 10 EICDRN Cc1nnc([C@@H](C)NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)[nH]1 ZINC000806101798 1047116439 /nfs/dbraw/zinc/11/64/39/1047116439.db2.gz RBZGDBDMVBIQQH-GFCCVEGCSA-N 0 0 349.398 4.411 20 10 EICDRN CC[C@@H]([NH2+]CCn1cnc2ccccc21)c1cccc(Cl)c1[O-] ZINC000806135640 1047132529 /nfs/dbraw/zinc/13/25/29/1047132529.db2.gz VAUAOLHBYNQFDY-OAHLLOKOSA-N 0 0 329.831 4.136 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806130077 1047152032 /nfs/dbraw/zinc/15/20/32/1047152032.db2.gz PANVFHGFGJONRJ-CQSZACIVSA-N 0 0 341.238 4.344 20 10 EICDRN CC[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806130735 1047155385 /nfs/dbraw/zinc/15/53/85/1047155385.db2.gz CZGXCNICNANEBS-LSDHHAIUSA-N 0 0 331.287 4.080 20 10 EICDRN CC[C@H]([NH2+]CCCCn1ccnc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131962 1047155816 /nfs/dbraw/zinc/15/58/16/1047155816.db2.gz QLUDYDHIIHIRCF-HNNXBMFYSA-N 0 0 342.270 4.417 20 10 EICDRN CC[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cccc(Cl)c1[O-] ZINC000806140136 1047165391 /nfs/dbraw/zinc/16/53/91/1047165391.db2.gz URWMAOLQRIVLDY-ICSRJNTNSA-N 0 0 345.870 4.310 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1cccc(Cl)c1[O-] ZINC000806141041 1047165623 /nfs/dbraw/zinc/16/56/23/1047165623.db2.gz PFSGRZYTHLZPMD-DOTOQJQBSA-N 0 0 331.847 4.262 20 10 EICDRN CC[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cccc(Cl)c1[O-] ZINC000806140178 1047166638 /nfs/dbraw/zinc/16/66/38/1047166638.db2.gz VMQZOTSFXYGJGL-QGZVFWFLSA-N 0 0 331.843 4.264 20 10 EICDRN CC[C@@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1cccc(Cl)c1[O-] ZINC000806141136 1047167888 /nfs/dbraw/zinc/16/78/88/1047167888.db2.gz GUXXQWIDFMVCJS-APPDUMDISA-N 0 0 335.879 4.068 20 10 EICDRN CC[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cccc(Cl)c1[O-] ZINC000806143840 1047168595 /nfs/dbraw/zinc/16/85/95/1047168595.db2.gz MJLKHROUCZTMDA-CYBMUJFWSA-N 0 0 347.768 4.045 20 10 EICDRN CC[C@H]([NH2+][C@H](COC)Cc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806141268 1047169111 /nfs/dbraw/zinc/16/91/11/1047169111.db2.gz HJMYRTXLUZTPPZ-YJBOKZPZSA-N 0 0 333.859 4.344 20 10 EICDRN CC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144720 1047169842 /nfs/dbraw/zinc/16/98/42/1047169842.db2.gz TVIWSESVKOCHPH-WBIUFABUSA-N 0 0 332.271 4.291 20 10 EICDRN CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144412 1047170454 /nfs/dbraw/zinc/17/04/54/1047170454.db2.gz QHCLVCHZABDMIG-SIVJFFJCSA-N 0 0 343.298 4.365 20 10 EICDRN CC[C@H]([NH2+]Cc1ncccc1F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148108 1047170486 /nfs/dbraw/zinc/17/04/86/1047170486.db2.gz CLMAXNUNJLDPQJ-ZDUSSCGKSA-N 0 0 329.202 4.474 20 10 EICDRN CC[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cccc(Cl)c1[O-] ZINC000806145945 1047170612 /nfs/dbraw/zinc/17/06/12/1047170612.db2.gz IMGRCOJMQFJFSX-HNNXBMFYSA-N 0 0 333.815 4.058 20 10 EICDRN CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806146010 1047170806 /nfs/dbraw/zinc/17/08/06/1047170806.db2.gz QKPFBGLSFXFAEN-ZDUSSCGKSA-N 0 0 347.286 4.045 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1cccc(Cl)c1[O-] ZINC000806147016 1047171645 /nfs/dbraw/zinc/17/16/45/1047171645.db2.gz SISWJZUYCBNWCE-HZPDHXFCSA-N 0 0 340.250 4.473 20 10 EICDRN CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148299 1047173373 /nfs/dbraw/zinc/17/33/73/1047173373.db2.gz FMTXBNQIPWPUGQ-BJOHPYRUSA-N 0 0 342.270 4.402 20 10 EICDRN CC[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc(Cl)c1[O-] ZINC000806150604 1047175513 /nfs/dbraw/zinc/17/55/13/1047175513.db2.gz WJGQIGBDFKAQBK-XJKSGUPXSA-N 0 0 325.880 4.275 20 10 EICDRN CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1[O-] ZINC000806149502 1047176291 /nfs/dbraw/zinc/17/62/91/1047176291.db2.gz FNBQHOUQSRBSQK-MRXNPFEDSA-N 0 0 334.803 4.237 20 10 EICDRN CC[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806160041 1047182164 /nfs/dbraw/zinc/18/21/64/1047182164.db2.gz DWKHMXUPCAMJQU-HKUYNNGSSA-N 0 0 333.859 4.384 20 10 EICDRN CC[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806160044 1047182656 /nfs/dbraw/zinc/18/26/56/1047182656.db2.gz DWKHMXUPCAMJQU-PKOBYXMFSA-N 0 0 333.859 4.384 20 10 EICDRN CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806164923 1047189069 /nfs/dbraw/zinc/18/90/69/1047189069.db2.gz AVJOFHSHBWMMGM-RWSFTLGLSA-N 0 0 332.271 4.412 20 10 EICDRN C[C@@H](N[C@H]1CCCC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000806180987 1047204445 /nfs/dbraw/zinc/20/44/45/1047204445.db2.gz UVKLWIKNPFPWPX-WBMJQRKESA-N 0 0 344.833 4.015 20 10 EICDRN C[C@H]([NH2+]CCn1cnc2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000788575443 1047235792 /nfs/dbraw/zinc/23/57/92/1047235792.db2.gz WQWYJYPYLNFVFD-LBPRGKRZSA-N 0 0 349.356 4.112 20 10 EICDRN C[C@H]([NH2+]CCc1ccccc1O)c1cccc(C(F)(F)F)c1[O-] ZINC000788581548 1047239060 /nfs/dbraw/zinc/23/90/60/1047239060.db2.gz BIJIYKMPDKACBK-NSHDSACASA-N 0 0 325.330 4.010 20 10 EICDRN Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788602254 1047243535 /nfs/dbraw/zinc/24/35/35/1047243535.db2.gz APHVJBYYQOBMFG-BDAKNGLRSA-N 0 0 328.334 4.428 20 10 EICDRN C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000788604228 1047245784 /nfs/dbraw/zinc/24/57/84/1047245784.db2.gz IXVZKCCKZXRJPB-LLVKDONJSA-N 0 0 344.282 4.292 20 10 EICDRN Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788668662 1047267927 /nfs/dbraw/zinc/26/79/27/1047267927.db2.gz XMSGUCVQMUIEFJ-MFKMUULPSA-N 0 0 345.386 4.165 20 10 EICDRN Cc1cc(C)c([C@H](C)Nc2cccc(N3CCOCC3)c2)c(O)c1 ZINC000788704353 1047273219 /nfs/dbraw/zinc/27/32/19/1047273219.db2.gz PGPPXMGKQAHOPL-INIZCTEOSA-N 0 0 326.440 4.019 20 10 EICDRN Cc1ccc(F)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918027652 1047281979 /nfs/dbraw/zinc/28/19/79/1047281979.db2.gz WOFMGTGFGZWTJC-UHFFFAOYSA-N 0 0 341.430 4.397 20 10 EICDRN CCC(CC)[C@H](CC[NH2+]Cc1cccc(Br)c1[O-])OC ZINC000746761558 1047289211 /nfs/dbraw/zinc/28/92/11/1047289211.db2.gz QIANCTIZMXXFJW-HNNXBMFYSA-N 0 0 344.293 4.086 20 10 EICDRN COc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1Cl ZINC000788761335 1047292134 /nfs/dbraw/zinc/29/21/34/1047292134.db2.gz NFBQMEWVWPSUHH-GFCCVEGCSA-N 0 0 347.846 4.297 20 10 EICDRN Cc1cc(C)c([C@H](C)Nc2ccc(N3CCO[C@H](C)C3)cc2)c(O)c1 ZINC000788730760 1047294619 /nfs/dbraw/zinc/29/46/19/1047294619.db2.gz XVZZBNPKVWIYED-SJORKVTESA-N 0 0 340.467 4.407 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000788824806 1047319743 /nfs/dbraw/zinc/31/97/43/1047319743.db2.gz WJLURZGMUHUUEW-SWLSCSKDSA-N 0 0 343.389 4.411 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccc(F)cn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806143299 1047336280 /nfs/dbraw/zinc/33/62/80/1047336280.db2.gz IUBFHIKXDZAPMK-CQSZACIVSA-N 0 0 329.202 4.474 20 10 EICDRN C[C@H](NC(=O)NCc1ccccc1O)c1ccc(F)c2ccccc21 ZINC000806644368 1047340472 /nfs/dbraw/zinc/34/04/72/1047340472.db2.gz YZGLKUJEBOFTMQ-ZDUSSCGKSA-N 0 0 338.382 4.245 20 10 EICDRN CCc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1Cl ZINC000806679924 1047344933 /nfs/dbraw/zinc/34/49/33/1047344933.db2.gz NKJJBDXIIAOTEE-NSHDSACASA-N 0 0 348.830 4.066 20 10 EICDRN Cc1cc(Br)cc([C@H](C)N[C@@H](C)C(F)(F)F)c1O ZINC000806660875 1047347095 /nfs/dbraw/zinc/34/70/95/1047347095.db2.gz QDASPAMBJOLMGZ-YUMQZZPRSA-N 0 0 326.156 4.065 20 10 EICDRN Cc1cc(Br)cc([C@@H](C)N[C@H](C)C(F)(F)F)c1O ZINC000806660872 1047347251 /nfs/dbraw/zinc/34/72/51/1047347251.db2.gz QDASPAMBJOLMGZ-HTQZYQBOSA-N 0 0 326.156 4.065 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C)cc1C ZINC000918226931 1047385612 /nfs/dbraw/zinc/38/56/12/1047385612.db2.gz FKCGEZVXAGDWAM-UHFFFAOYSA-N 0 0 339.483 4.101 20 10 EICDRN COc1ccc(N(C)CC[C@H](C)OCc2ccccc2)cc1OC ZINC000789311977 1047398689 /nfs/dbraw/zinc/39/86/89/1047398689.db2.gz QELMTERICQXPJO-INIZCTEOSA-N 0 0 329.440 4.135 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000918299370 1047404047 /nfs/dbraw/zinc/40/40/47/1047404047.db2.gz 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CSCCCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S ZINC000192839284 1039157048 /nfs/dbraw/zinc/15/70/48/1039157048.db2.gz OSJCJNYUAKIYFE-XFXZXTDPSA-N 0 0 343.926 4.294 20 10 EICDRN CC[C@H]1CCCCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000482321265 1040175087 /nfs/dbraw/zinc/17/50/87/1040175087.db2.gz YSJQYJFARUVIEH-SFHVURJKSA-N 0 0 342.483 4.309 20 10 EICDRN CC[C@@H](CC1CCCC1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001126440551 1040789181 /nfs/dbraw/zinc/78/91/81/1040789181.db2.gz MULSYMLBSOWWMC-INIZCTEOSA-N 0 0 330.472 4.085 20 10 EICDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCCC[C@@H]3C)ccc21 ZINC000303173686 1042344165 /nfs/dbraw/zinc/34/41/65/1042344165.db2.gz JEZQECPKMZTOCS-LIRRHRJNSA-N 0 0 342.483 4.213 20 10 EICDRN CCC(C)(CC)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000303466753 1042440292 /nfs/dbraw/zinc/44/02/92/1042440292.db2.gz GUKVLLXKWOIJQJ-UHFFFAOYSA-N 0 0 330.472 4.213 20 10 EICDRN Cc1ccc(/C=C\C(=O)N(Cc2cccnc2)c2ccc(F)cc2)cn1 ZINC000492517529 1042680115 /nfs/dbraw/zinc/68/01/15/1042680115.db2.gz 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CC1(C)C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H](C(F)(F)F)O1 ZINC000793707717 1046327870 /nfs/dbraw/zinc/32/78/70/1046327870.db2.gz VZBLGMFVMWAEDF-INIZCTEOSA-N 0 0 339.357 4.087 20 10 EICDRN Cc1cc2occ(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2cc1C ZINC000771095119 1046327986 /nfs/dbraw/zinc/32/79/86/1046327986.db2.gz MIKPGFDXKUAHFL-UHFFFAOYSA-N 0 0 336.435 4.388 20 10 EICDRN Cc1cc(C(=O)N2CC[C@H](C)C3(CCC3)C2)c(C)n1-c1ccccn1 ZINC000771338352 1046380826 /nfs/dbraw/zinc/38/08/26/1046380826.db2.gz JZIMQBGRPZLSKC-HNNXBMFYSA-N 0 0 337.467 4.141 20 10 EICDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C(C)(F)F)cc1 ZINC000794336222 1046399633 /nfs/dbraw/zinc/39/96/33/1046399633.db2.gz LZTZNQQIKYULEV-UHFFFAOYSA-N 0 0 332.394 4.103 20 10 EICDRN COc1ccc(N(Cc2cccs2)Cc2nnc(C(C)C)[nH]2)cc1 ZINC000794411184 1046407177 /nfs/dbraw/zinc/40/71/77/1046407177.db2.gz ACJIBEHWBIUBMB-UHFFFAOYSA-N 0 0 342.468 4.205 20 10 EICDRN COc1ccc(N(C)Cc2cccc(Br)n2)cc1Cl ZINC000794399933 1046409915 /nfs/dbraw/zinc/40/99/15/1046409915.db2.gz 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EICDRN COCCCCNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000917175331 1046806525 /nfs/dbraw/zinc/80/65/25/1046806525.db2.gz VUNLYEAQKHREOH-UHFFFAOYSA-N 0 0 342.483 4.374 20 10 EICDRN Cc1coc(C)c1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000786116917 1046810092 /nfs/dbraw/zinc/81/00/92/1046810092.db2.gz JLFTUCFLPNXODN-UHFFFAOYSA-N 0 0 326.440 4.063 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)c2occc2C(C)C)cc1F ZINC000786119538 1046810397 /nfs/dbraw/zinc/81/03/97/1046810397.db2.gz FFHXUZQSHMHCSE-UHFFFAOYSA-N 0 0 332.419 4.318 20 10 EICDRN COc1cc(C)cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000786142553 1046812231 /nfs/dbraw/zinc/81/22/31/1046812231.db2.gz BNQFEBCAEHMHGS-OAHLLOKOSA-N 0 0 341.455 4.261 20 10 EICDRN CCCCCC[C@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001129993587 1046827232 /nfs/dbraw/zinc/82/72/32/1046827232.db2.gz XLRDSFFAIFLZSG-ZWKOTPCHSA-N 0 0 346.515 4.244 20 10 EICDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cc2ccccc2o1 ZINC000786576352 1046851975 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O=C1c2ccccc2N[C@H](c2cc(F)ccc2O)N1Cc1ccccc1 ZINC000917499752 1046912402 /nfs/dbraw/zinc/91/24/02/1046912402.db2.gz WFRZRJZBXDSTCY-FQEVSTJZSA-N 0 0 348.377 4.298 20 10 EICDRN COC[C@@H](C)Oc1ccc(Cl)cc1NCc1cc(F)ccc1O ZINC000787417766 1047004788 /nfs/dbraw/zinc/00/47/88/1047004788.db2.gz PUQHKUXOPRREPQ-LLVKDONJSA-N 0 0 339.794 4.211 20 10 EICDRN Cc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000917594965 1047017541 /nfs/dbraw/zinc/01/75/41/1047017541.db2.gz RKAREOJLWQMDRT-UHFFFAOYSA-N 0 0 339.508 4.422 20 10 EICDRN Fc1ccc(NC(=S)NNc2cccc3c2CCCC3)c(F)c1 ZINC000917586755 1047022349 /nfs/dbraw/zinc/02/23/49/1047022349.db2.gz YZCDUXQMIBKWIK-UHFFFAOYSA-N 0 0 333.407 4.157 20 10 EICDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C=C2CCCC2)cc1 ZINC000917646055 1047045130 /nfs/dbraw/zinc/04/51/30/1047045130.db2.gz WXHGRYQTSSHNGI-UHFFFAOYSA-N 0 0 338.451 4.375 20 10 EICDRN O=C(NCCCc1ccc(Cl)cc1Cl)C1=CC(=O)CS1 ZINC000746711331 1047066030 /nfs/dbraw/zinc/06/60/30/1047066030.db2.gz VXWQUMQLMBPEMF-UHFFFAOYSA-N 0 0 330.236 4.123 20 10 EICDRN CC[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1cccc(Cl)c1[O-] ZINC000806132860 1047125436 /nfs/dbraw/zinc/12/54/36/1047125436.db2.gz BSWNVNJXZRQOEM-DYVFJYSZSA-N 0 0 331.843 4.338 20 10 EICDRN CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1cccc(Cl)c1[O-] ZINC000806136517 1047131785 /nfs/dbraw/zinc/13/17/85/1047131785.db2.gz DQMXXSTXMNZFEV-CQSZACIVSA-N 0 0 337.851 4.226 20 10 EICDRN CC[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cccc(Cl)c1[O-] ZINC000806128829 1047146378 /nfs/dbraw/zinc/14/63/78/1047146378.db2.gz PEDJYGLFPQMIME-MRXNPFEDSA-N 0 0 347.842 4.100 20 10 EICDRN CC[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cccc(Cl)c1[O-] ZINC000806129891 1047153029 /nfs/dbraw/zinc/15/30/29/1047153029.db2.gz LSNNLJKZEPMMNT-SFHVURJKSA-N 0 0 341.842 4.472 20 10 EICDRN COc1cc(NNC(=S)Nc2cccc(Cl)c2)ccc1Cl ZINC000788338801 1047162167 /nfs/dbraw/zinc/16/21/67/1047162167.db2.gz SWHNABYDGVSJTJ-UHFFFAOYSA-N 0 0 342.251 4.316 20 10 EICDRN CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Cl)c1[O-] ZINC000806139288 1047163745 /nfs/dbraw/zinc/16/37/45/1047163745.db2.gz MTUICHNOKGCHHG-YGRLFVJLSA-N 0 0 345.830 4.429 20 10 EICDRN CC[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc(Cl)c1[O-] ZINC000806141630 1047165756 /nfs/dbraw/zinc/16/57/56/1047165756.db2.gz UTVHSJCINJVVLC-GOEBONIOSA-N 0 0 325.861 4.056 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1cccc(Cl)c1[O-] ZINC000806141210 1047167692 /nfs/dbraw/zinc/16/76/92/1047167692.db2.gz QHHWIYABQUSCCJ-MZPVMMEZSA-N 0 0 337.822 4.348 20 10 EICDRN CC[C@@H]([NH2+][C@H](COC)Cc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806141266 1047168654 /nfs/dbraw/zinc/16/86/54/1047168654.db2.gz HJMYRTXLUZTPPZ-MAUKXSAKSA-N 0 0 333.859 4.344 20 10 EICDRN CC[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148635 1047173043 /nfs/dbraw/zinc/17/30/43/1047173043.db2.gz JGULOFAZMPEURI-GZMMTYOYSA-N 0 0 346.176 4.053 20 10 EICDRN CC[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1cccc(Cl)c1[O-] ZINC000806149142 1047173542 /nfs/dbraw/zinc/17/35/42/1047173542.db2.gz BCUGFSPSMAUAOG-XJKSGUPXSA-N 0 0 339.863 4.162 20 10 EICDRN CC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc(Cl)c1[O-] ZINC000806149494 1047174609 /nfs/dbraw/zinc/17/46/09/1047174609.db2.gz UNACBNWKFZVJNA-MRXNPFEDSA-N 0 0 347.842 4.448 20 10 EICDRN CC[C@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cccc(Cl)c1[O-] ZINC000806150602 1047174820 /nfs/dbraw/zinc/17/48/20/1047174820.db2.gz WJGQIGBDFKAQBK-CJNGLKHVSA-N 0 0 325.880 4.275 20 10 EICDRN CC[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1cccc(Cl)c1[O-] ZINC000806159082 1047183210 /nfs/dbraw/zinc/18/32/10/1047183210.db2.gz XIOLWGOUNDZHDN-UONOGXRCSA-N 0 0 339.769 4.498 20 10 EICDRN COc1ccc(O)c([C@H](C)Nc2cnn(CC(C)C)c2C2CC2)c1 ZINC000806180829 1047203316 /nfs/dbraw/zinc/20/33/16/1047203316.db2.gz IHXRISHXBZIMKK-ZDUSSCGKSA-N 0 0 329.444 4.304 20 10 EICDRN CC(C)N(CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C(C)C ZINC000788505065 1047206731 /nfs/dbraw/zinc/20/67/31/1047206731.db2.gz RLSKGEDTXLGAQG-CYBMUJFWSA-N 0 0 332.410 4.180 20 10 EICDRN CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001130608633 1047243951 /nfs/dbraw/zinc/24/39/51/1047243951.db2.gz IHFNRFYBZJKYRC-QUCCMNQESA-N 0 0 340.467 4.124 20 10 EICDRN C[C@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000788621519 1047252585 /nfs/dbraw/zinc/25/25/85/1047252585.db2.gz YOAGHMJSFMPMAO-QMMMGPOBSA-N 0 0 342.729 4.083 20 10 EICDRN CCC1(O)CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000788652564 1047256960 /nfs/dbraw/zinc/25/69/60/1047256960.db2.gz RHOCRGMXMSMBEA-OPGSHWCFSA-N 0 0 331.378 4.145 20 10 EICDRN C[C@H](c1cccs1)N(C)C(=O)NCCCSc1nccs1 ZINC000154595077 1047259387 /nfs/dbraw/zinc/25/93/87/1047259387.db2.gz ZTXDYPISVLJUDU-LLVKDONJSA-N 0 0 341.527 4.089 20 10 EICDRN Cc1ccc([C@@H](C)N(C)C(=O)NCCCSc2nccs2)cc1 ZINC000154606538 1047261068 /nfs/dbraw/zinc/26/10/68/1047261068.db2.gz GQZQQAKXSYOSHN-CQSZACIVSA-N 0 0 349.525 4.336 20 10 EICDRN Cc1ccc(F)c(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000918026624 1047280644 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CCc1nc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)co1 ZINC000825062533 1048028412 /nfs/dbraw/zinc/02/84/12/1048028412.db2.gz ZTSPBGNGCRBVPM-UHFFFAOYSA-N 0 0 347.462 4.090 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000825144584 1048043433 /nfs/dbraw/zinc/04/34/33/1048043433.db2.gz OWLXAHZWTLWXAJ-UHFFFAOYSA-N 0 0 340.197 4.339 20 10 EICDRN Cc1cc(Cl)cc([C@@H](C)N[C@@H](CO)c2c(F)cccc2F)c1O ZINC000808707565 1048054412 /nfs/dbraw/zinc/05/44/12/1048054412.db2.gz SKPHESCZJASMOT-BMIGLBTASA-N 0 0 341.785 4.016 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000825196292 1048055243 /nfs/dbraw/zinc/05/52/43/1048055243.db2.gz CHLICUIQPQWBDC-UHFFFAOYSA-N 0 0 349.833 4.066 20 10 EICDRN COCC(=O)Nc1ccc(N[C@@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808714227 1048060819 /nfs/dbraw/zinc/06/08/19/1048060819.db2.gz YEYKJHIGFHXMBE-LBPRGKRZSA-N 0 0 348.830 4.112 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])[C@H](O)c1ccccc1 ZINC000808721858 1048070015 /nfs/dbraw/zinc/07/00/15/1048070015.db2.gz ULPYJWKRIXEXEK-USBNGQNGSA-N 0 0 340.250 4.472 20 10 EICDRN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000808721928 1048070035 /nfs/dbraw/zinc/07/00/35/1048070035.db2.gz VRLUNZNCZYSFCT-DINDLPBHSA-N 0 0 340.250 4.472 20 10 EICDRN FC(F)Oc1ccc2c(c1)CCCN2CCCOCC(F)(F)F ZINC000919803278 1048070378 /nfs/dbraw/zinc/07/03/78/1048070378.db2.gz ZOJWZIIGAAOTEI-UHFFFAOYSA-N 0 0 339.304 4.010 20 10 EICDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)c2cccc(C)c2)c1 ZINC001143662994 1048144587 /nfs/dbraw/zinc/14/45/87/1048144587.db2.gz HWUIYODYJFINLB-UHFFFAOYSA-N 0 0 346.430 4.492 20 10 EICDRN Cc1ccc(O)c(CNc2ccc(C(=O)Nc3nccs3)cc2)c1 ZINC000809184911 1048230763 /nfs/dbraw/zinc/23/07/63/1048230763.db2.gz LYQMXRRQAUWJEX-UHFFFAOYSA-N 0 0 339.420 4.022 20 10 EICDRN Cc1cc(C(=O)NCc2cnc(C)s2)c(C)n1-c1ccccc1C ZINC000919880093 1048231211 /nfs/dbraw/zinc/23/12/11/1048231211.db2.gz WUXXHNIFMFODCK-UHFFFAOYSA-N 0 0 339.464 4.097 20 10 EICDRN COc1ccc(N(C)Cc2ccnc(Br)c2)cc1Cl ZINC000815061142 1048316283 /nfs/dbraw/zinc/31/62/83/1048316283.db2.gz KWENNQVMQBALOJ-UHFFFAOYSA-N 0 0 341.636 4.143 20 10 EICDRN Cc1oc2c(ccc([O-])c2C[N@H+](C)CC2CC2)c(=O)c1-c1ccccc1 ZINC000919941960 1048326506 /nfs/dbraw/zinc/32/65/06/1048326506.db2.gz HXTHYPUHXVLVAZ-UHFFFAOYSA-N 0 0 349.430 4.316 20 10 EICDRN CCN(C)c1ccc(CN2CCCC[C@@H]2c2nccn2CC)cc1 ZINC000815105183 1048346608 /nfs/dbraw/zinc/34/66/08/1048346608.db2.gz GXNOAJIMUPKTEB-LJQANCHMSA-N 0 0 326.488 4.086 20 10 EICDRN Cc1cc(C(=O)NCC[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1 ZINC000919978934 1048352657 /nfs/dbraw/zinc/35/26/57/1048352657.db2.gz DHYOCEFAEVDEFD-KRWDZBQOSA-N 0 0 346.858 4.046 20 10 EICDRN Cc1cc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)no1 ZINC000919974129 1048361841 /nfs/dbraw/zinc/36/18/41/1048361841.db2.gz UNWGFVXYNXMTNB-UHFFFAOYSA-N 0 0 329.787 4.296 20 10 EICDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2cc3ccccc3s2)c1[O-] ZINC000815141895 1048363933 /nfs/dbraw/zinc/36/39/33/1048363933.db2.gz JYRMBOJYTFOYIY-UHFFFAOYSA-N 0 0 348.811 4.458 20 10 EICDRN Cc1cc(C(=O)NCc2nccs2)c(C)n1-c1cccc(Cl)c1 ZINC000919983450 1048369101 /nfs/dbraw/zinc/36/91/01/1048369101.db2.gz TYZQSXRPYMPRDE-UHFFFAOYSA-N 0 0 345.855 4.134 20 10 EICDRN Cc1cc(C(=O)N2CCCSCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000919984388 1048370009 /nfs/dbraw/zinc/37/00/09/1048370009.db2.gz CSJGQFRSXDKQMI-UHFFFAOYSA-N 0 0 348.899 4.327 20 10 EICDRN CC[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000920053647 1048416982 /nfs/dbraw/zinc/41/69/82/1048416982.db2.gz GPYPPMWJQUBYKQ-LJQANCHMSA-N 0 0 331.504 4.253 20 10 EICDRN COc1cc(N(C)C/C=C/c2ccc(F)c(F)c2)cc(OC)c1OC ZINC000809635209 1048447308 /nfs/dbraw/zinc/44/73/08/1048447308.db2.gz FIQVLRNJHKXSTE-AATRIKPKSA-N 0 0 349.377 4.140 20 10 EICDRN Cc1csc(CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)n1 ZINC000809731571 1048481991 /nfs/dbraw/zinc/48/19/91/1048481991.db2.gz KIZRZCKORAERPH-UHFFFAOYSA-N 0 0 341.480 4.313 20 10 EICDRN CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000809776046 1048508023 /nfs/dbraw/zinc/50/80/23/1048508023.db2.gz RCXAYFYPBJWDKF-NHYWBVRUSA-N 0 0 332.271 4.240 20 10 EICDRN CCc1nc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cs1 ZINC000815577812 1048518197 /nfs/dbraw/zinc/51/81/97/1048518197.db2.gz ACCSKIRFQNEHGP-SECBINFHSA-N 0 0 330.375 4.281 20 10 EICDRN C[C@@H]([NH2+]CC1(O)CCCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815581962 1048521402 /nfs/dbraw/zinc/52/14/02/1048521402.db2.gz UIUFFTDGQGJHKS-GFCCVEGCSA-N 0 0 331.378 4.147 20 10 EICDRN C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000815585332 1048522704 /nfs/dbraw/zinc/52/27/04/1048522704.db2.gz DVKZQPOORLKATP-PEYYIBSZSA-N 0 0 331.378 4.003 20 10 EICDRN CC[N@H+](Cc1cc(C)cc(Br)c1[O-])[C@H](C)c1cccnc1 ZINC000809764374 1048523551 /nfs/dbraw/zinc/52/35/51/1048523551.db2.gz FCDMYIDXNGSTEB-CYBMUJFWSA-N 0 0 349.272 4.441 20 10 EICDRN Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815585519 1048524127 /nfs/dbraw/zinc/52/41/27/1048524127.db2.gz JYSKPLGQRXCFNU-BLLLJJGKSA-N 0 0 339.357 4.104 20 10 EICDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H](c1cccs1)C1CC1 ZINC000844869072 1048533491 /nfs/dbraw/zinc/53/34/91/1048533491.db2.gz YJNFLJHGKKHDAA-OAHLLOKOSA-N 0 0 336.844 4.058 20 10 EICDRN C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815576450 1048538182 /nfs/dbraw/zinc/53/81/82/1048538182.db2.gz QPPLHJYUIRUAAO-NEPJUHHUSA-N 0 0 339.357 4.398 20 10 EICDRN C[C@@H](Nc1cccc2c1OCO2)c1cccc(C(F)(F)F)c1O ZINC000815614976 1048542045 /nfs/dbraw/zinc/54/20/45/1048542045.db2.gz FOVVKGCNSSXGHO-SECBINFHSA-N 0 0 325.286 4.313 20 10 EICDRN Cc1cc(CC(=O)NCC(C)(C)F)c(C)n1-c1ccc(Cl)cc1 ZINC001131924657 1048559497 /nfs/dbraw/zinc/55/94/97/1048559497.db2.gz YNQZMZTXJPUROJ-UHFFFAOYSA-N 0 0 336.838 4.154 20 10 EICDRN COCC1(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CCC1 ZINC000815641891 1048567149 /nfs/dbraw/zinc/56/71/49/1048567149.db2.gz LDOLPHBTXFHHAJ-LBPRGKRZSA-N 0 0 331.378 4.268 20 10 EICDRN CCOC1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CCCC1 ZINC000815644551 1048567251 /nfs/dbraw/zinc/56/72/51/1048567251.db2.gz FSFOAJVDNCDBCW-GFCCVEGCSA-N 0 0 331.378 4.411 20 10 EICDRN CC[C@H]([NH2+]CCc1nccnc1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000815651600 1048574922 /nfs/dbraw/zinc/57/49/22/1048574922.db2.gz XVAQVIUNYWZNLX-ZDUSSCGKSA-N 0 0 340.254 4.081 20 10 EICDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000845115480 1048599486 /nfs/dbraw/zinc/59/94/86/1048599486.db2.gz QYWJCBJJANFZSV-AWEZNQCLSA-N 0 0 330.859 4.168 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)C1CC(c2ccc(F)cc2)C1 ZINC000815797426 1048605207 /nfs/dbraw/zinc/60/52/07/1048605207.db2.gz PFCOSNTXVQTPCU-UHFFFAOYSA-N 0 0 341.426 4.464 20 10 EICDRN C/C(=C\c1ccco1)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001132048278 1048625559 /nfs/dbraw/zinc/62/55/59/1048625559.db2.gz OZMCQUAEFFNVQK-NTCAYCPXSA-N 0 0 334.419 4.407 20 10 EICDRN Oc1ccc(Br)cc1CNc1ccnc2c(F)cccc12 ZINC001171178307 1048651278 /nfs/dbraw/zinc/65/12/78/1048651278.db2.gz WGSMHONFCXIKHQ-UHFFFAOYSA-N 0 0 347.187 4.454 20 10 EICDRN CC[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1F ZINC000845433468 1048665403 /nfs/dbraw/zinc/66/54/03/1048665403.db2.gz DEJLJRMSCPUVQO-IBGZPJMESA-N 0 0 343.446 4.184 20 10 EICDRN C[C@@H](CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000920445154 1048674684 /nfs/dbraw/zinc/67/46/84/1048674684.db2.gz MOWXRWFXKMJFHP-INIZCTEOSA-N 0 0 340.467 4.311 20 10 EICDRN Oc1ccccc1CNc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000810173457 1048680552 /nfs/dbraw/zinc/68/05/52/1048680552.db2.gz FSZFKKJIPJOCSO-UHFFFAOYSA-N 0 0 333.313 4.209 20 10 EICDRN C[C@H]1CCCC[C@@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000920437155 1048681230 /nfs/dbraw/zinc/68/12/30/1048681230.db2.gz LCVXGUNSIPOGOM-FUHWJXTLSA-N 0 0 346.540 4.072 20 10 EICDRN CC[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(C(F)(F)F)cc1O ZINC000810228469 1048698039 /nfs/dbraw/zinc/69/80/39/1048698039.db2.gz VPHXFWFFAQYICO-CYBMUJFWSA-N 0 0 328.309 4.186 20 10 EICDRN CC(=O)c1cc(F)cc(CN(Cc2ccccc2F)C2CC2)c1O ZINC000748046530 1048700094 /nfs/dbraw/zinc/70/00/94/1048700094.db2.gz ILCDNACUCPPUPJ-UHFFFAOYSA-N 0 0 331.362 4.038 20 10 EICDRN Cc1ccc2snc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2c1 ZINC000816180272 1048708348 /nfs/dbraw/zinc/70/83/48/1048708348.db2.gz JXCORIDVSGHAOA-ZDUSSCGKSA-N 0 0 339.464 4.162 20 10 EICDRN Nc1ccc(N(Cc2ccccc2)C(=O)CCc2ccccc2O)cc1 ZINC001144514319 1048709601 /nfs/dbraw/zinc/70/96/01/1048709601.db2.gz WTYVEDKTDHDKIB-UHFFFAOYSA-N 0 0 346.430 4.140 20 10 EICDRN O=C([C@H]1C[C@H]1C1CCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000845792615 1048732899 /nfs/dbraw/zinc/73/28/99/1048732899.db2.gz HQYHVZYHLKAQAJ-OALUTQOASA-N 0 0 339.435 4.340 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)Nc2ccnc(Cl)c2C)cc1 ZINC000810286805 1048743992 /nfs/dbraw/zinc/74/39/92/1048743992.db2.gz IDFASTPRTYRBLU-UHFFFAOYSA-N 0 0 346.862 4.211 20 10 EICDRN Cc1cc(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c(C)n1-c1cccc(C)c1 ZINC001132263976 1048784585 /nfs/dbraw/zinc/78/45/85/1048784585.db2.gz JDTTZVBCAWHNER-IOMROCGXSA-N 0 0 336.479 4.455 20 10 EICDRN Cc1cc(CNC(=O)[C@H]2CCC[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC001132267826 1048786999 /nfs/dbraw/zinc/78/69/99/1048786999.db2.gz OMXVWLKLUXGDLR-FUHWJXTLSA-N 0 0 328.431 4.239 20 10 EICDRN COc1csc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001132268153 1048787091 /nfs/dbraw/zinc/78/70/91/1048787091.db2.gz VJTPIWALWSLLPP-UHFFFAOYSA-N 0 0 340.448 4.094 20 10 EICDRN CCN(CC)c1ccc(CN[C@@H](c2ccccc2F)[C@H](C)O)cc1F ZINC000846016927 1048786888 /nfs/dbraw/zinc/78/68/88/1048786888.db2.gz KMVMZJUJQBUYDP-VBKZILBWSA-N 0 0 348.437 4.023 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(F)(F)C[C@H]2C)cc1 ZINC001132273297 1048799513 /nfs/dbraw/zinc/79/95/13/1048799513.db2.gz WWTIWXVCIZXAIC-OAHLLOKOSA-N 0 0 332.394 4.354 20 10 EICDRN O=C(NC1CC1)c1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816479120 1048811021 /nfs/dbraw/zinc/81/10/21/1048811021.db2.gz CJPWEMDMKCSWGM-UHFFFAOYSA-N 0 0 332.403 4.050 20 10 EICDRN CCN(Cc1ncc(CSC)s1)Cc1ccc(N(C)C)cc1 ZINC000816480377 1048811361 /nfs/dbraw/zinc/81/13/61/1048811361.db2.gz LODWHNJETBXKNG-UHFFFAOYSA-N 0 0 335.542 4.094 20 10 EICDRN CN(C)c1ccc(CN(C)c2ncnc3c4ccccc4oc32)cc1 ZINC000920964724 1048822259 /nfs/dbraw/zinc/82/22/59/1048822259.db2.gz KGNXZNTXLJNZFL-UHFFFAOYSA-N 0 0 332.407 4.078 20 10 EICDRN S=C(NCCN1CCCc2ccccc21)Nc1ccc(Cl)cc1 ZINC000920993987 1048824466 /nfs/dbraw/zinc/82/44/66/1048824466.db2.gz SOMBXMQPZPOGRV-UHFFFAOYSA-N 0 0 345.899 4.079 20 10 EICDRN COc1cccc([C@@H](C)Nc2ccc(OC)c(OC(C)C)c2)c1O ZINC000846164958 1048826609 /nfs/dbraw/zinc/82/66/09/1048826609.db2.gz MDWAUDRYRJZYNE-CYBMUJFWSA-N 0 0 331.412 4.370 20 10 EICDRN COc1cccc([C@@H](C)Nc2ccc(F)cc2OC(F)F)c1O ZINC000846162545 1048827351 /nfs/dbraw/zinc/82/73/51/1048827351.db2.gz LQZNLCDVRSSEDQ-SECBINFHSA-N 0 0 327.302 4.314 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000816543556 1048827441 /nfs/dbraw/zinc/82/74/41/1048827441.db2.gz FRJBAYFNNSHMCI-UHFFFAOYSA-N 0 0 333.712 4.493 20 10 EICDRN Oc1cc(F)c(Cl)cc1CNc1cccc(Oc2cnccn2)c1 ZINC000816522655 1048829376 /nfs/dbraw/zinc/82/93/76/1048829376.db2.gz JIPAYKHCTMNHMX-UHFFFAOYSA-N 0 0 345.761 4.379 20 10 EICDRN COCCOc1ccc(NCc2ccc3ccccc3c2O)c(C)c1 ZINC000816523513 1048829443 /nfs/dbraw/zinc/82/94/43/1048829443.db2.gz SUGVHCOPKWIHHN-UHFFFAOYSA-N 0 0 337.419 4.491 20 10 EICDRN Cc1cc(N2CCOCC2)ccc1NCc1ccc2ccccc2c1O ZINC000816521896 1048829713 /nfs/dbraw/zinc/82/97/13/1048829713.db2.gz BYXGXMYHQGTOKX-UHFFFAOYSA-N 0 0 348.446 4.303 20 10 EICDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc(-n2cccn2)cc1 ZINC000816554132 1048833615 /nfs/dbraw/zinc/83/36/15/1048833615.db2.gz PKTNCPYXGIMLAM-LBPRGKRZSA-N 0 0 345.805 4.221 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)Cc2ccc(F)cc2)cc1 ZINC000921005149 1048836177 /nfs/dbraw/zinc/83/61/77/1048836177.db2.gz AYKNPXCMTCSMOG-MRXNPFEDSA-N 0 0 342.458 4.167 20 10 EICDRN CC(C)(C)Oc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816564761 1048837056 /nfs/dbraw/zinc/83/70/56/1048837056.db2.gz PEZAFXUSOVMJSW-UHFFFAOYSA-N 0 0 338.810 4.047 20 10 EICDRN Cc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c(O)c1O ZINC001135649624 1048840660 /nfs/dbraw/zinc/84/06/60/1048840660.db2.gz MMPKTRBTUJTJHX-UHFFFAOYSA-N 0 0 339.435 4.334 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccc(O)c1Cl ZINC000816612691 1048843027 /nfs/dbraw/zinc/84/30/27/1048843027.db2.gz VYLGXCWIHMGQIG-UHFFFAOYSA-N 0 0 332.614 4.348 20 10 EICDRN COc1ccc(F)c(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000816612143 1048844192 /nfs/dbraw/zinc/84/41/92/1048844192.db2.gz HNWNJSGTZJBICB-UHFFFAOYSA-N 0 0 330.186 4.137 20 10 EICDRN CSCc1cnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000816612663 1048844235 /nfs/dbraw/zinc/84/42/35/1048844235.db2.gz VPSAJKXUESSKBC-UHFFFAOYSA-N 0 0 349.308 4.308 20 10 EICDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1OCCc2sccc21 ZINC000816616854 1048845461 /nfs/dbraw/zinc/84/54/61/1048845461.db2.gz HUBFRNSUDZDEMP-XXFAHNHDSA-N 0 0 341.835 4.038 20 10 EICDRN C[C@@H](Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1)c1ccccc1O ZINC000846212622 1048848885 /nfs/dbraw/zinc/84/88/85/1048848885.db2.gz DFKQVQPSYKVVHX-QLFBSQMISA-N 0 0 344.430 4.318 20 10 EICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CC=CCC1 ZINC000921123048 1048855092 /nfs/dbraw/zinc/85/50/92/1048855092.db2.gz NXXWKFIHFIRASR-SFHVURJKSA-N 0 0 341.499 4.175 20 10 EICDRN Fc1ccc(NC(=S)NNc2cccc(Cl)c2F)c(F)c1 ZINC000921143835 1048864895 /nfs/dbraw/zinc/86/48/95/1048864895.db2.gz QARGVLIOODQNJV-UHFFFAOYSA-N 0 0 331.750 4.071 20 10 EICDRN CNc1ccc(Cl)c(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000816890647 1048874957 /nfs/dbraw/zinc/87/49/57/1048874957.db2.gz RLPILTGUCOAWDK-UHFFFAOYSA-N 0 0 329.831 4.234 20 10 EICDRN CCc1ccncc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001144918330 1048888516 /nfs/dbraw/zinc/88/85/16/1048888516.db2.gz FFJBEKGJXZGWJQ-UHFFFAOYSA-N 0 0 333.435 4.233 20 10 EICDRN CSC[C@@H]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000817060567 1048891015 /nfs/dbraw/zinc/89/10/15/1048891015.db2.gz XTHUBWKVLCIHLF-OAHLLOKOSA-N 0 0 348.537 4.371 20 10 EICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2[nH]ccc2c1 ZINC001135801010 1048891518 /nfs/dbraw/zinc/89/15/18/1048891518.db2.gz ZZHKBLIRDKRIPP-UHFFFAOYSA-N 0 0 333.435 4.040 20 10 EICDRN CSC[C@H]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000817059602 1048891558 /nfs/dbraw/zinc/89/15/58/1048891558.db2.gz BCZZFIPJFUZPBS-KRWDZBQOSA-N 0 0 342.508 4.309 20 10 EICDRN C/C(=C\c1ccco1)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000846803461 1048904249 /nfs/dbraw/zinc/90/42/49/1048904249.db2.gz OQZQOLLICLZBKO-DTQAZKPQSA-N 0 0 326.440 4.186 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000817409762 1048964130 /nfs/dbraw/zinc/96/41/30/1048964130.db2.gz FPEPJEVESXLRRR-LLVKDONJSA-N 0 0 332.296 4.322 20 10 EICDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1cc(Cl)cc(Cl)c1 ZINC000811156801 1048973104 /nfs/dbraw/zinc/97/31/04/1048973104.db2.gz REUCPGVZZCQGFT-RQOWECAXSA-N 0 0 339.174 4.161 20 10 EICDRN Cc1cncc(/C=C\C(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c1 ZINC000817482367 1048979464 /nfs/dbraw/zinc/97/94/64/1048979464.db2.gz MAXIRAVHTPFHNT-MWWKQMNYSA-N 0 0 346.352 4.486 20 10 EICDRN O[C@H](COc1ccc(N2CCCCC2)c(Cl)c1)CC(F)(F)F ZINC000817572046 1049004349 /nfs/dbraw/zinc/00/43/49/1049004349.db2.gz YNOZAJLCSGISQW-NSHDSACASA-N 0 0 337.769 4.022 20 10 EICDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(Oc2ccccc2)o1 ZINC001146233549 1049012111 /nfs/dbraw/zinc/01/21/11/1049012111.db2.gz VTKBSPQRQYKBCH-UHFFFAOYSA-N 0 0 343.766 4.361 20 10 EICDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)CC1=CCCCC1 ZINC001146729273 1049052541 /nfs/dbraw/zinc/05/25/41/1049052541.db2.gz FDMUFLAHHAVVEK-UKLSTIIHSA-N 0 0 335.411 4.496 20 10 EICDRN Cc1cc(CC(=O)N[C@@H](C)C(F)F)c(C)n1-c1ccc(Cl)cc1 ZINC001132821633 1049071602 /nfs/dbraw/zinc/07/16/02/1049071602.db2.gz FSBXBBNPCVPVJK-NSHDSACASA-N 0 0 340.801 4.060 20 10 EICDRN CSc1cc(Cl)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001146976843 1049073396 /nfs/dbraw/zinc/07/33/96/1049073396.db2.gz GIUXVLHPWIDAKZ-XVNBXDOJSA-N 0 0 335.812 4.125 20 10 EICDRN CC[C@H](COCC1CC1)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001147105864 1049091315 /nfs/dbraw/zinc/09/13/15/1049091315.db2.gz RYFYXZWYSKXLHE-MRXNPFEDSA-N 0 0 346.496 4.091 20 10 EICDRN 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CC[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cccc(Cl)c1[O-] ZINC000850565933 1053319645 /nfs/dbraw/zinc/31/96/45/1053319645.db2.gz HXOZAVJXNZDUCC-ZDUSSCGKSA-N 0 0 333.806 4.027 20 10 EICDRN COc1cccc([C@@H](C)Nc2ccc(O[C@@H]3CC3(F)F)cc2)c1O ZINC000850564355 1053320432 /nfs/dbraw/zinc/32/04/32/1053320432.db2.gz QOLPEWCGTXOVKZ-BDJLRTHQSA-N 0 0 335.350 4.360 20 10 EICDRN CC(C)CCCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000101786046 1053326026 /nfs/dbraw/zinc/32/60/26/1053326026.db2.gz OAIPKCLPFZGUQE-UHFFFAOYSA-N 0 0 330.428 4.133 20 10 EICDRN C[C@H]1CCC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000101794797 1053328119 /nfs/dbraw/zinc/32/81/19/1053328119.db2.gz BTFQJKSWLGDXQS-DOTOQJQBSA-N 0 0 342.439 4.276 20 10 EICDRN O=C(Nc1ncccc1O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195261071 1053351599 /nfs/dbraw/zinc/35/15/99/1053351599.db2.gz COTLJAODYDDROF-QURGRASLSA-N 0 0 334.335 4.161 20 10 EICDRN Cc1ccc(/C=C2/SC(=S)N([C@H](C)c3cccs3)C2=O)cn1 ZINC000764886414 1053358346 /nfs/dbraw/zinc/35/83/46/1053358346.db2.gz 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COc1ccc(N(C)CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC001195818404 1053497717 /nfs/dbraw/zinc/49/77/17/1053497717.db2.gz AYDPSVFKDINCOC-CQSZACIVSA-N 0 0 346.858 4.004 20 10 EICDRN COc1ccc(N(C)Cc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC001195818939 1053499573 /nfs/dbraw/zinc/49/95/73/1053499573.db2.gz LGXBGYKFDGKVMO-UHFFFAOYSA-N 0 0 333.435 4.006 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)c1cccc2ccc(C)nc21 ZINC000120574333 1053519671 /nfs/dbraw/zinc/51/96/71/1053519671.db2.gz KVJQYHURGVQWJS-UHFFFAOYSA-N 0 0 334.419 4.301 20 10 EICDRN CCN(CC[C@H]1Sc2ccccc2NC1=O)c1ccc(OC)cc1 ZINC000851828024 1053524076 /nfs/dbraw/zinc/52/40/76/1053524076.db2.gz MBHSATRMFRUOJX-GOSISDBHSA-N 0 0 342.464 4.025 20 10 EICDRN Cc1cc(F)ccc1NC(=S)NCc1ncccc1C(F)(F)F ZINC001196129264 1053583487 /nfs/dbraw/zinc/58/34/87/1053583487.db2.gz GHXOGNQPTAAASJ-UHFFFAOYSA-N 0 0 343.349 4.035 20 10 EICDRN Cc1ccc(N2C(=O)/C(=C/c3ccnn3C(C)C)SC2=S)cc1 ZINC000794869425 1053596397 /nfs/dbraw/zinc/59/63/97/1053596397.db2.gz KOPLVVRMBOLHGZ-GDNBJRDFSA-N 0 0 343.477 4.178 20 10 EICDRN CCc1cccc(F)c1/C=C1\SC(=S)N(c2cccnc2)C1=O ZINC000794870828 1053602319 /nfs/dbraw/zinc/60/23/19/1053602319.db2.gz ZCYDCJZCIOYZEY-DHDCSXOGSA-N 0 0 344.436 4.189 20 10 EICDRN CCCCC[C@@H](CC)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000775696179 1053611367 /nfs/dbraw/zinc/61/13/67/1053611367.db2.gz YAERNOAQTSWRSS-QGZVFWFLSA-N 0 0 346.515 4.387 20 10 EICDRN Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(Cl)cc(F)c1[O-])CCC2 ZINC000775696050 1053612572 /nfs/dbraw/zinc/61/25/72/1053612572.db2.gz VRTKBMFWBCQDEU-AWEZNQCLSA-N 0 0 340.851 4.459 20 10 EICDRN Cc1ccc(F)c(CNC(=S)Nc2ccc(C(F)(F)F)cc2)n1 ZINC001196204648 1053612733 /nfs/dbraw/zinc/61/27/33/1053612733.db2.gz NCIGLYIDDJDREZ-UHFFFAOYSA-N 0 0 343.349 4.035 20 10 EICDRN C[N@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000775707965 1053638466 /nfs/dbraw/zinc/63/84/66/1053638466.db2.gz KJECFFDJYXMQFJ-KRWDZBQOSA-N 0 0 330.859 4.146 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)ccc2Cl)c1 ZINC000120887883 1053638596 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1047852887 /nfs/dbraw/zinc/85/28/87/1047852887.db2.gz WZGDGLUMBRXKBI-GOSISDBHSA-N 0 0 347.462 4.251 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(C(C)(F)F)cc2)cc1 ZINC000814102297 1047855243 /nfs/dbraw/zinc/85/52/43/1047855243.db2.gz NRZWLZLTRYWAJD-UHFFFAOYSA-N 0 0 332.394 4.137 20 10 EICDRN Cc1csc(-c2cccc(C(=O)N(C)Cc3ccccc3O)c2)n1 ZINC000155011953 1047874806 /nfs/dbraw/zinc/87/48/06/1047874806.db2.gz YZACGEQVODWGEA-UHFFFAOYSA-N 0 0 338.432 4.096 20 10 EICDRN O=C1/C(=C\c2ccc(Cl)c(F)c2)SC(=S)N1C1CCC1 ZINC000814185369 1047881753 /nfs/dbraw/zinc/88/17/53/1047881753.db2.gz FNIHCCLSOLRIJN-KPKJPENVSA-N 0 0 327.833 4.233 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824697019 1047896976 /nfs/dbraw/zinc/89/69/76/1047896976.db2.gz XVDNVRQCUGAABT-NUEKZKHPSA-N 0 0 344.282 4.215 20 10 EICDRN CC(C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)=C1CCC1 ZINC000824683267 1047902213 /nfs/dbraw/zinc/90/22/13/1047902213.db2.gz BYIPUENJBAUMCU-UHFFFAOYSA-N 0 0 338.451 4.375 20 10 EICDRN Cc1cc(Br)c(O)c(CNC2(C(F)F)CCCC2)c1 ZINC000808451104 1047914655 /nfs/dbraw/zinc/91/46/55/1047914655.db2.gz HASLOOBDCDCFJB-UHFFFAOYSA-N 0 0 334.204 4.131 20 10 EICDRN COc1cccc(N2C(=O)/C(=C\c3ccccc3C)SC2=S)c1 ZINC000814276931 1047933331 /nfs/dbraw/zinc/93/33/31/1047933331.db2.gz OBBRHTNZSCFGBK-MHWRWJLKSA-N 0 0 341.457 4.409 20 10 EICDRN O=C(NCc1ccccc1)[C@H](Sc1nccs1)c1ccccc1 ZINC000919676961 1047968210 /nfs/dbraw/zinc/96/82/10/1047968210.db2.gz JCFPAHKXUNIEDW-MRXNPFEDSA-N 0 0 340.473 4.293 20 10 EICDRN CC1(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCCC1 ZINC000808498522 1047974139 /nfs/dbraw/zinc/97/41/39/1047974139.db2.gz PTLCMBYUAHWNAB-UHFFFAOYSA-N 0 0 334.423 4.305 20 10 EICDRN Cc1cc(CN[C@@H]2C[C@H](C)n3ccnc32)c(C)n1-c1cccc(C)c1 ZINC000825017568 1048020013 /nfs/dbraw/zinc/02/00/13/1048020013.db2.gz UZROKAISWUPQGO-MGPUTAFESA-N 0 0 334.467 4.395 20 10 EICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045459 1048024086 /nfs/dbraw/zinc/02/40/86/1048024086.db2.gz 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[O-]c1c(Cl)cccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809698572 1048458034 /nfs/dbraw/zinc/45/80/34/1048458034.db2.gz CSYZDCGSKXZIFJ-AOIWGVFYSA-N 0 0 343.854 4.050 20 10 EICDRN CC[C@@H](CSC)[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000809767638 1048499985 /nfs/dbraw/zinc/49/99/85/1048499985.db2.gz PVDQBACFUBITNL-LBPRGKRZSA-N 0 0 332.307 4.037 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000809776615 1048505065 /nfs/dbraw/zinc/50/50/65/1048505065.db2.gz LAZFZMHSMGYPNO-HNNXBMFYSA-N 0 0 344.213 4.051 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000809737983 1048509490 /nfs/dbraw/zinc/50/94/90/1048509490.db2.gz OPJVXXSRTMYVRS-UHFFFAOYSA-N 0 0 337.250 4.474 20 10 EICDRN C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(C(F)(F)F)c1[O-] ZINC000815596735 1048531158 /nfs/dbraw/zinc/53/11/58/1048531158.db2.gz CPPWYKZUHHYDMH-LLVKDONJSA-N 0 0 337.341 4.292 20 10 EICDRN CN(C)c1ccc(CN[C@H](C2CC2)C(F)(F)F)c(C(F)(F)F)c1 ZINC000809784813 1048531397 /nfs/dbraw/zinc/53/13/97/1048531397.db2.gz NWMOQRYXJMDMJQ-CYBMUJFWSA-N 0 0 340.311 4.202 20 10 EICDRN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815598632 1048532000 /nfs/dbraw/zinc/53/20/00/1048532000.db2.gz ZCBZZZALHSVKJS-IAQYHMDHSA-N 0 0 333.394 4.105 20 10 EICDRN CCN(C)C(=O)c1cccc(N[C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815625447 1048547787 /nfs/dbraw/zinc/54/77/87/1048547787.db2.gz DTCGODVGIMZNHJ-OAHLLOKOSA-N 0 0 326.440 4.274 20 10 EICDRN C[C@H]([NH2+]C[C@H](c1ccccc1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815630729 1048553354 /nfs/dbraw/zinc/55/33/54/1048553354.db2.gz UTHOZCWALCUMQX-SCLBCKFNSA-N 0 0 326.396 4.145 20 10 EICDRN CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000844937069 1048553624 /nfs/dbraw/zinc/55/36/24/1048553624.db2.gz LIYSAXHDGIKILD-MRXNPFEDSA-N 0 0 335.488 4.282 20 10 EICDRN C[C@@H](Nc1ccc(F)c(NC(N)=O)c1)c1ccc2ccccc2c1O ZINC000815631958 1048556154 /nfs/dbraw/zinc/55/61/54/1048556154.db2.gz YCQCGGOIQLHNMN-LLVKDONJSA-N 0 0 339.370 4.348 20 10 EICDRN C[C@H](Nc1cnn(CC(F)F)c1)c1cccc(C(F)(F)F)c1O ZINC000815607194 1048557982 /nfs/dbraw/zinc/55/79/82/1048557982.db2.gz SAELMJYKMSKHRJ-QMMMGPOBSA-N 0 0 335.276 4.046 20 10 EICDRN C[C@@H](Nc1cnn(-c2ccccn2)c1)c1cccc(C(F)(F)F)c1O ZINC000815608249 1048558380 /nfs/dbraw/zinc/55/83/80/1048558380.db2.gz VQAZDCZCDSWQCW-LLVKDONJSA-N 0 0 348.328 4.165 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])c1cc[nH]c(=O)c1 ZINC000815642935 1048568982 /nfs/dbraw/zinc/56/89/82/1048568982.db2.gz PBXPOEPFNPGYCM-BDAKNGLRSA-N 0 0 327.211 4.211 20 10 EICDRN [O-]c1cc(F)c(Br)cc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001144292285 1048569271 /nfs/dbraw/zinc/56/92/71/1048569271.db2.gz AOYKLXNBLGCZNB-UHFFFAOYSA-N 0 0 346.215 4.008 20 10 EICDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001144289478 1048577479 /nfs/dbraw/zinc/57/74/79/1048577479.db2.gz ALMLSWOVPPCPAA-IHJFAWNMSA-N 0 0 349.438 4.432 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(Cl)c1F ZINC000809986426 1048589772 /nfs/dbraw/zinc/58/97/72/1048589772.db2.gz HXYXOQIOSKHNKI-UHFFFAOYSA-N 0 0 348.849 4.136 20 10 EICDRN Cc1ccc(Br)c(C)c1C(=O)N(C)Cc1ccccc1O ZINC000815796691 1048606093 /nfs/dbraw/zinc/60/60/93/1048606093.db2.gz IBNMGYDDUJSLMY-UHFFFAOYSA-N 0 0 348.240 4.044 20 10 EICDRN Cc1cc(CNC(=O)c2cccc(C)c2F)c(C)n1-c1ccccc1 ZINC001132048355 1048624590 /nfs/dbraw/zinc/62/45/90/1048624590.db2.gz RMMNLFLFKCBDNO-UHFFFAOYSA-N 0 0 336.410 4.472 20 10 EICDRN Cc1ccc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000810064646 1048625524 /nfs/dbraw/zinc/62/55/24/1048625524.db2.gz OLXPTHXVEYGLLP-UHFFFAOYSA-N 0 0 342.508 4.246 20 10 EICDRN Oc1ccc(Br)cc1CNc1ccccc1-c1ncco1 ZINC001171174985 1048643714 /nfs/dbraw/zinc/64/37/14/1048643714.db2.gz CIZONEFBMWYBHW-UHFFFAOYSA-N 0 0 345.196 4.422 20 10 EICDRN Oc1ccc(Br)cc1CNc1cc(F)cc2cccnc21 ZINC001171178244 1048650590 /nfs/dbraw/zinc/65/05/90/1048650590.db2.gz UPAMBMGAXGCQGI-UHFFFAOYSA-N 0 0 347.187 4.454 20 10 EICDRN COc1cc(F)c(F)cc1NCc1cccc(Br)c1O ZINC000810164875 1048665835 /nfs/dbraw/zinc/66/58/35/1048665835.db2.gz QLGBVSZGGQCYNS-UHFFFAOYSA-N 0 0 344.155 4.054 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000845415734 1048671097 /nfs/dbraw/zinc/67/10/97/1048671097.db2.gz NFGXCIUOZYOQMX-SJORKVTESA-N 0 0 342.842 4.019 20 10 EICDRN CC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810230022 1048698081 /nfs/dbraw/zinc/69/80/81/1048698081.db2.gz QLFPZVSOAJBQPN-GDBMZVCRSA-N 0 0 345.405 4.249 20 10 EICDRN C[C@@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001144501159 1048701556 /nfs/dbraw/zinc/70/15/56/1048701556.db2.gz NFSVNMOJUIZPDD-QGZVFWFLSA-N 0 0 346.430 4.270 20 10 EICDRN CC[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000810259641 1048710618 /nfs/dbraw/zinc/71/06/18/1048710618.db2.gz NUFJVEMXQGEONR-CABCVRRESA-N 0 0 332.271 4.291 20 10 EICDRN CCc1nnc(CN[C@H](CC)c2ccc(C(F)(F)F)cc2O)s1 ZINC000810260810 1048712279 /nfs/dbraw/zinc/71/22/79/1048712279.db2.gz QIRPLTLGJFZMQM-LLVKDONJSA-N 0 0 345.390 4.066 20 10 EICDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCCC[C@H]2C)ccc1C ZINC001135494535 1048756929 /nfs/dbraw/zinc/75/69/29/1048756929.db2.gz FWWQQRPPDIBXDH-OAHLLOKOSA-N 0 0 338.451 4.230 20 10 EICDRN Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC001132267827 1048788566 /nfs/dbraw/zinc/78/85/66/1048788566.db2.gz OMXVWLKLUXGDLR-SJLPKXTDSA-N 0 0 328.431 4.239 20 10 EICDRN Cc1cc(C)cc(NC(=S)NCCN2CCCc3ccccc32)c1 ZINC000920994384 1048824478 /nfs/dbraw/zinc/82/44/78/1048824478.db2.gz WYIUAUWWNJJYFG-UHFFFAOYSA-N 0 0 339.508 4.043 20 10 EICDRN COc1cccc([C@@H](C)Nc2ccc(OC(F)F)c(F)c2)c1O ZINC000846157814 1048825143 /nfs/dbraw/zinc/82/51/43/1048825143.db2.gz GKAPDMFFISGESP-SECBINFHSA-N 0 0 327.302 4.314 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000816544706 1048826965 /nfs/dbraw/zinc/82/69/65/1048826965.db2.gz QIZTURYLOWDMBP-UHFFFAOYSA-N 0 0 336.769 4.137 20 10 EICDRN CC1CCN(c2ccc(CNCc3c(F)ccc(O)c3F)cc2)CC1 ZINC000816548562 1048828191 /nfs/dbraw/zinc/82/81/91/1048828191.db2.gz 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1051414424 /nfs/dbraw/zinc/41/44/24/1051414424.db2.gz HMSUJHLPSRUFCP-SFHVURJKSA-N 0 0 329.415 4.187 20 10 EICDRN C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773987609 1051416651 /nfs/dbraw/zinc/41/66/51/1051416651.db2.gz FMDCHDKVRAGZQT-SEWDUPMJSA-N 0 0 326.415 4.172 20 10 EICDRN Cc1cc(C(=O)Nc2ccc(N(C)C)nc2)c(C)n1-c1ccccc1C ZINC001182202918 1051427108 /nfs/dbraw/zinc/42/71/08/1051427108.db2.gz SFDGAFGDVBXHGX-UHFFFAOYSA-N 0 0 348.450 4.116 20 10 EICDRN Cc1cc(C(=O)NCC(C)C)ccc1NCc1cccc(Cl)c1O ZINC001182250325 1051443331 /nfs/dbraw/zinc/44/33/31/1051443331.db2.gz IUGXJXCUUYOOSO-UHFFFAOYSA-N 0 0 346.858 4.352 20 10 EICDRN Cc1nc(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])cs1 ZINC000774114765 1051459206 /nfs/dbraw/zinc/45/92/06/1051459206.db2.gz IUROUFNXVOMBSP-QMMMGPOBSA-N 0 0 331.268 4.357 20 10 EICDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC001182315291 1051479458 /nfs/dbraw/zinc/47/94/58/1051479458.db2.gz CHDWZWVLFQEXRA-HZPDHXFCSA-N 0 0 334.341 4.000 20 10 EICDRN CCn1cc(CCN(Cc2cccs2)c2ccc(OC)cc2)cn1 ZINC001191582377 1051482133 /nfs/dbraw/zinc/48/21/33/1051482133.db2.gz QBZDWVOTXCGMRD-UHFFFAOYSA-N 0 0 341.480 4.222 20 10 EICDRN Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774207365 1051500782 /nfs/dbraw/zinc/50/07/82/1051500782.db2.gz JIONZLBDKKCLJC-ZBEGNZNMSA-N 0 0 340.250 4.392 20 10 EICDRN Cc1ncsc1CCCN1CCCc2cc(OC(F)F)ccc21 ZINC001191653974 1051510528 /nfs/dbraw/zinc/51/05/28/1051510528.db2.gz AUUUJEKINFXZDY-UHFFFAOYSA-N 0 0 338.423 4.438 20 10 EICDRN CSCCN(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 ZINC001191722490 1051518944 /nfs/dbraw/zinc/51/89/44/1051518944.db2.gz KVVLLXBCERLUKI-UHFFFAOYSA-N 0 0 335.494 4.197 20 10 EICDRN C[S@@](=O)c1ccccc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001175310846 1051522458 /nfs/dbraw/zinc/52/24/58/1051522458.db2.gz DWQXWAQHKRVHAV-XMMPIXPASA-N 0 0 336.460 4.345 20 10 EICDRN COc1ccsc1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001191767708 1051528017 /nfs/dbraw/zinc/52/80/17/1051528017.db2.gz NRMVPWMIMDFXMJ-UHFFFAOYSA-N 0 0 338.432 4.186 20 10 EICDRN CCc1ccc(NC(=S)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774259788 1051531740 /nfs/dbraw/zinc/53/17/40/1051531740.db2.gz XTBBNYHCIDAJAQ-CQSZACIVSA-N 0 0 327.497 4.363 20 10 EICDRN CCOc1ccc(NC(=S)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774259764 1051531911 /nfs/dbraw/zinc/53/19/11/1051531911.db2.gz XOVMMSVZQPSACU-CQSZACIVSA-N 0 0 343.496 4.199 20 10 EICDRN Cc1cccc(C)c1NC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774259700 1051531992 /nfs/dbraw/zinc/53/19/92/1051531992.db2.gz XEFKUXHFAJEFLU-HNNXBMFYSA-N 0 0 327.497 4.417 20 10 EICDRN CC[C@H]([NH2+]CCN(CC)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775501393 1051635001 /nfs/dbraw/zinc/63/50/01/1051635001.db2.gz PLURIJPPQFVMRW-AWEZNQCLSA-N 0 0 331.287 4.224 20 10 EICDRN CC(C)Oc1ccccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775503117 1051641928 /nfs/dbraw/zinc/64/19/28/1051641928.db2.gz BOUDOZJZBYWYTG-HNNXBMFYSA-N 0 0 341.455 4.423 20 10 EICDRN CC[C@@H]([NH2+]CCNc1ccccn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510009 1051647211 /nfs/dbraw/zinc/64/72/11/1051647211.db2.gz UHAASAYXZODFQK-CYBMUJFWSA-N 0 0 340.254 4.247 20 10 EICDRN CCc1[nH]nc(NC(=O)c2sccc2-n2c(C)ccc2C)c1C ZINC001182636323 1051654544 /nfs/dbraw/zinc/65/45/44/1051654544.db2.gz HNIJWGHAOONEPR-UHFFFAOYSA-N 0 0 328.441 4.002 20 10 EICDRN Cn1cc2c(cccc2Nc2ccc(Cc3ccc(N)cc3)cc2)n1 ZINC001175592299 1051661527 /nfs/dbraw/zinc/66/15/27/1051661527.db2.gz RPVUJQCRWYLGPB-UHFFFAOYSA-N 0 0 328.419 4.490 20 10 EICDRN CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513879 1051662488 /nfs/dbraw/zinc/66/24/88/1051662488.db2.gz VWHHDWZJNAPNBN-HFAKWTLXSA-N 0 0 343.298 4.365 20 10 EICDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC001182716136 1051683834 /nfs/dbraw/zinc/68/38/34/1051683834.db2.gz URJLPEINJVEXGZ-UHFFFAOYSA-N 0 0 343.417 4.442 20 10 EICDRN CCc1nnc([C@@H](C)[NH2+][C@H](CC)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000775524101 1051699303 /nfs/dbraw/zinc/69/93/03/1051699303.db2.gz CODAXTZHYVYNRR-LDYMZIIASA-N 0 0 343.258 4.181 20 10 EICDRN CCc1nnc([C@@H](C)[NH2+][C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000775524097 1051699596 /nfs/dbraw/zinc/69/95/96/1051699596.db2.gz CODAXTZHYVYNRR-KCJUWKMLSA-N 0 0 343.258 4.181 20 10 EICDRN COc1ccc(N(C)C[C@H](OC)c2ccc(Cl)cc2)c(OC)c1 ZINC001192399768 1051723418 /nfs/dbraw/zinc/72/34/18/1051723418.db2.gz BPKZZRCZNPVSKJ-SFHVURJKSA-N 0 0 335.831 4.181 20 10 EICDRN Cc1nc(N)ncc1Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001175675066 1051725761 /nfs/dbraw/zinc/72/57/61/1051725761.db2.gz RYNIHDLUGWMPCS-SNAWJCMRSA-N 0 0 345.450 4.347 20 10 EICDRN O=C1c2ccccc2C(=O)c2cc(Nc3cnn(C4CCC4)c3)ccc21 ZINC001175758030 1051771362 /nfs/dbraw/zinc/77/13/62/1051771362.db2.gz UJMPKHUOMCTEHF-UHFFFAOYSA-N 0 0 343.386 4.127 20 10 EICDRN Cc1nc(C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)sc1C ZINC001192612719 1051777331 /nfs/dbraw/zinc/77/73/31/1051777331.db2.gz KZVLJKQOTBXEKK-INIZCTEOSA-N 0 0 344.480 4.136 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(SC)s1 ZINC001192643631 1051787950 /nfs/dbraw/zinc/78/79/50/1051787950.db2.gz FGMWNKBUTLTXBT-UHFFFAOYSA-N 0 0 334.510 4.198 20 10 EICDRN COCCOc1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1 ZINC001175791596 1051789445 /nfs/dbraw/zinc/78/94/45/1051789445.db2.gz QEEATWIBORGXAM-UHFFFAOYSA-N 0 0 348.402 4.081 20 10 EICDRN Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C1=CC(=O)CS1 ZINC000774598489 1051805927 /nfs/dbraw/zinc/80/59/27/1051805927.db2.gz ABGUYEJBXTWXSS-GFCCVEGCSA-N 0 0 329.343 4.186 20 10 EICDRN COc1ccc(NCc2cc(OC)c(OC)cc2O)c2ccccc12 ZINC001183205798 1051811843 /nfs/dbraw/zinc/81/18/43/1051811843.db2.gz MJSJHSQMSLJLMY-UHFFFAOYSA-N 0 0 339.391 4.183 20 10 EICDRN Cc1c2ccccc2sc1CC(=O)NCc1c(C)cc(C)cc1O ZINC001183246753 1051816177 /nfs/dbraw/zinc/81/61/77/1051816177.db2.gz NKQDUPHLTBRZLB-UHFFFAOYSA-N 0 0 339.460 4.391 20 10 EICDRN COc1ccc(N(Cc2ccccc2)c2ccc(N)cc2)cc1CO ZINC001175987107 1051859632 /nfs/dbraw/zinc/85/96/32/1051859632.db2.gz QDJANQRQNBGFMS-UHFFFAOYSA-N 0 0 334.419 4.108 20 10 EICDRN COc1ccc(Nc2ccccc2C(=O)c2ccccc2)cc1CO ZINC001175986000 1051859733 /nfs/dbraw/zinc/85/97/33/1051859733.db2.gz FQZFBHOACXTLML-UHFFFAOYSA-N 0 0 333.387 4.162 20 10 EICDRN CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CCO2 ZINC000775574219 1051875852 /nfs/dbraw/zinc/87/58/52/1051875852.db2.gz OJSOHHMRDMNUDV-APPDUMDISA-N 0 0 349.377 4.244 20 10 EICDRN COc1ccc(N2CCN(C(=O)CCCC3CCCCC3)CC2)cc1 ZINC000078868122 1051887564 /nfs/dbraw/zinc/88/75/64/1051887564.db2.gz RRKPNDFPRMMMCE-UHFFFAOYSA-N 0 0 344.499 4.094 20 10 EICDRN CC(C)[C@H](NC(=O)c1ccc(O)c(O)c1Cl)c1ccc(F)cc1 ZINC001193236676 1051889004 /nfs/dbraw/zinc/88/90/04/1051889004.db2.gz MPVFSVAHHCUAJM-HNNXBMFYSA-N 0 0 337.778 4.017 20 10 EICDRN CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(O)c(O)c2Cl)cc1 ZINC001193247172 1051890063 /nfs/dbraw/zinc/89/00/63/1051890063.db2.gz NPUBBJPPYATXMP-GFCCVEGCSA-N 0 0 347.842 4.441 20 10 EICDRN Cc1[nH]c2c(cccc2NC(=O)c2ccc(O)c(O)c2Cl)c1C ZINC001193230033 1051893373 /nfs/dbraw/zinc/89/33/73/1051893373.db2.gz PCSVTNKZXGANNM-UHFFFAOYSA-N 0 0 330.771 4.102 20 10 EICDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC001183788684 1051899401 /nfs/dbraw/zinc/89/94/01/1051899401.db2.gz OLCMYNHKXWGKPB-MRXNPFEDSA-N 0 0 331.362 4.207 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cnc(C)c(C)c1 ZINC001176062934 1051899772 /nfs/dbraw/zinc/89/97/72/1051899772.db2.gz CTAIHYOYNCYIPU-UHFFFAOYSA-N 0 0 325.437 4.420 20 10 EICDRN Cc1noc(Cc2ccc(NCc3ccc4ccccc4c3O)cc2)n1 ZINC001184078357 1051950629 /nfs/dbraw/zinc/95/06/29/1051950629.db2.gz UNHATRJCAJUBFZ-UHFFFAOYSA-N 0 0 345.402 4.440 20 10 EICDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c2ccccc12 ZINC001193865304 1052018937 /nfs/dbraw/zinc/01/89/37/1052018937.db2.gz XYAJUWJLTPTVGN-UHFFFAOYSA-N 0 0 347.823 4.308 20 10 EICDRN Cc1ccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)c2ccccc12 ZINC001193862758 1052019954 /nfs/dbraw/zinc/01/99/54/1052019954.db2.gz FGJDOMMHHSZBQQ-UHFFFAOYSA-N 0 0 341.432 4.271 20 10 EICDRN C[C@@H]1CCC[C@@H](C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)C1 ZINC001184501807 1052032780 /nfs/dbraw/zinc/03/27/80/1052032780.db2.gz BLWRTYJOWBFNBZ-LIVJURKVSA-N 0 0 337.427 4.432 20 10 EICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)Oc1ccccc1 ZINC001194281509 1052119650 /nfs/dbraw/zinc/11/96/50/1052119650.db2.gz ZBBQVZIXRINZCX-GOSISDBHSA-N 0 0 325.408 4.421 20 10 EICDRN Cc1noc(C)c1NC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001185219606 1052196959 /nfs/dbraw/zinc/19/69/59/1052196959.db2.gz IYNSFSOVMBEBGM-QGZVFWFLSA-N 0 0 343.427 4.059 20 10 EICDRN CC(C)[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000184896384 1052296982 /nfs/dbraw/zinc/29/69/82/1052296982.db2.gz GPQRLCBKMNZICI-XCLFUZPHSA-N 0 0 345.414 4.350 20 10 EICDRN CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000185107142 1052434275 /nfs/dbraw/zinc/43/42/75/1052434275.db2.gz GMBHUDPCKYHHQI-MLGOLLRUSA-N 0 0 331.387 4.104 20 10 EICDRN Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1F ZINC000072840258 1052609769 /nfs/dbraw/zinc/60/97/69/1052609769.db2.gz DCPHUSHBQBWWJC-UHFFFAOYSA-N 0 0 339.366 4.275 20 10 EICDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCC(F)(F)C3)c2C)cc1 ZINC000763872807 1052623629 /nfs/dbraw/zinc/62/36/29/1052623629.db2.gz TZFJMLOSDGLEHO-AWEZNQCLSA-N 0 0 348.393 4.020 20 10 EICDRN CCc1cnc(Cl)nc1NCc1cc(Cl)c2cccnc2c1O ZINC001168528666 1052634133 /nfs/dbraw/zinc/63/41/33/1052634133.db2.gz YETAZQKOHFWXNK-UHFFFAOYSA-N 0 0 349.221 4.212 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000185658571 1052666297 /nfs/dbraw/zinc/66/62/97/1052666297.db2.gz OKWLJQIYSNXCBS-TXPKVOOTSA-N 0 0 342.458 4.235 20 10 EICDRN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c(C)n1-c1ccccn1 ZINC001299248236 1052758758 /nfs/dbraw/zinc/75/87/58/1052758758.db2.gz IWLOADUIRFBJFS-QZTJIDSGSA-N 0 0 339.483 4.434 20 10 EICDRN COCc1cccc(NCc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000850053665 1053063740 /nfs/dbraw/zinc/06/37/40/1053063740.db2.gz KXAHCIFVCHVPTD-UHFFFAOYSA-N 0 0 329.440 4.457 20 10 EICDRN CCN(Cc1ccccc1)c1ccc(C=Cc2nccc(=O)[nH]2)cc1 ZINC000764442313 1053106968 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C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000015134840 1053268261 /nfs/dbraw/zinc/26/82/61/1053268261.db2.gz VVQSRIJRDAITCY-CYBMUJFWSA-N 0 0 348.899 4.203 20 10 EICDRN CC[C@@H](C)OC(=O)Nc1c(C)ccc2c1C(=O)c1ccccc1C2=O ZINC001195114572 1053273512 /nfs/dbraw/zinc/27/35/12/1053273512.db2.gz FXNKUZKWWGDUAU-GFCCVEGCSA-N 0 0 337.375 4.117 20 10 EICDRN C[C@@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775639016 1053278837 /nfs/dbraw/zinc/27/88/37/1053278837.db2.gz MFMXCZRBAGWKKN-SNVBAGLBSA-N 0 0 337.345 4.053 20 10 EICDRN CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850523454 1053279815 /nfs/dbraw/zinc/27/98/15/1053279815.db2.gz JBILHCSBKVENTM-BXUZGUMPSA-N 0 0 330.255 4.451 20 10 EICDRN COc1ccc(O)c(CN(C)Cc2cccc(Cl)c2Cl)c1 ZINC000775642540 1053310014 /nfs/dbraw/zinc/31/00/14/1053310014.db2.gz LSWWMABSXBLNLK-UHFFFAOYSA-N 0 0 326.223 4.340 20 10 EICDRN CCN(C)c1ccc([C@H](C)Nc2cccc(-c3cn(C)nn3)c2)cc1 ZINC000850564096 1053317705 /nfs/dbraw/zinc/31/77/05/1053317705.db2.gz 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CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Cl)c1[O-] ZINC000806139285 1047163818 /nfs/dbraw/zinc/16/38/18/1047163818.db2.gz MTUICHNOKGCHHG-HZMBPMFUSA-N 0 0 345.830 4.429 20 10 EICDRN CC[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc(Cl)c1[O-] ZINC000806142017 1047165566 /nfs/dbraw/zinc/16/55/66/1047165566.db2.gz BRANFZHCMGZRGJ-CQSZACIVSA-N 0 0 325.239 4.377 20 10 EICDRN CC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144410 1047171277 /nfs/dbraw/zinc/17/12/77/1047171277.db2.gz QHCLVCHZABDMIG-PKWAYOAASA-N 0 0 343.298 4.365 20 10 EICDRN CC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148307 1047173392 /nfs/dbraw/zinc/17/33/92/1047173392.db2.gz FMTXBNQIPWPUGQ-PSLIRLAXSA-N 0 0 342.270 4.402 20 10 EICDRN CC[C@@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)c1cccc(Cl)c1[O-] ZINC000806150127 1047173586 /nfs/dbraw/zinc/17/35/86/1047173586.db2.gz LVZXCNFTTPIMMT-SUMWQHHRSA-N 0 0 347.842 4.099 20 10 EICDRN CC[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cccc(Cl)c1[O-] ZINC000806149554 1047176202 /nfs/dbraw/zinc/17/62/02/1047176202.db2.gz VMWPPESBBMJYIV-QZTJIDSGSA-N 0 0 330.859 4.273 20 10 EICDRN CC[C@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1cccc(Cl)c1[O-] ZINC000806161688 1047183910 /nfs/dbraw/zinc/18/39/10/1047183910.db2.gz MANNKTXBHKYQKU-ZBFHGGJFSA-N 0 0 335.879 4.260 20 10 EICDRN CC[C@H]([NH2+]CCOC(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806160917 1047184387 /nfs/dbraw/zinc/18/43/87/1047184387.db2.gz FYUIQGNJRMOBEH-JTQLQIEISA-N 0 0 332.149 4.276 20 10 EICDRN CCN(C)C(=O)c1cccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000806169159 1047190106 /nfs/dbraw/zinc/19/01/06/1047190106.db2.gz BQMURQZTVZLPIF-MLGOLLRUSA-N 0 0 342.414 4.284 20 10 EICDRN CCN(C)C(=O)c1cccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000806169158 1047191374 /nfs/dbraw/zinc/19/13/74/1047191374.db2.gz BQMURQZTVZLPIF-LRDDRELGSA-N 0 0 342.414 4.284 20 10 EICDRN C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000806182864 1047193859 /nfs/dbraw/zinc/19/38/59/1047193859.db2.gz FPMFGMXVONIKRS-ZIAGYGMSSA-N 0 0 335.394 4.316 20 10 EICDRN C[C@@H]([NH2+]CCSC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000788557623 1047223399 /nfs/dbraw/zinc/22/33/99/1047223399.db2.gz NSUJTBXUQAVMLZ-SSDOTTSWSA-N 0 0 333.297 4.315 20 10 EICDRN CN1CCCc2cc(CN[C@@H]3COCc4cccc(Cl)c43)ccc21 ZINC000788583534 1047238106 /nfs/dbraw/zinc/23/81/06/1047238106.db2.gz LSTJPFKAVZOBTN-GOSISDBHSA-N 0 0 342.870 4.084 20 10 EICDRN CC[C@@H]1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H](CC)CO1 ZINC001130608631 1047242907 /nfs/dbraw/zinc/24/29/07/1047242907.db2.gz IHFNRFYBZJKYRC-AZUAARDMSA-N 0 0 340.467 4.124 20 10 EICDRN C[C@@H]([NH2+]CCc1ccc(O)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000788647932 1047247042 /nfs/dbraw/zinc/24/70/42/1047247042.db2.gz NVKJWKYRQBWRNH-LLVKDONJSA-N 0 0 325.330 4.010 20 10 EICDRN C[C@@H](CCCC(F)(F)F)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897564231 1047259907 /nfs/dbraw/zinc/25/99/07/1047259907.db2.gz WASKQILDGKFAEL-QMMMGPOBSA-N 0 0 347.358 4.163 20 10 EICDRN Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N(C)C)cc2)c(C)c1 ZINC000918000578 1047268053 /nfs/dbraw/zinc/26/80/53/1047268053.db2.gz SKFYUDRUPOJALK-QGZVFWFLSA-N 0 0 339.483 4.272 20 10 EICDRN Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788671640 1047270600 /nfs/dbraw/zinc/27/06/00/1047270600.db2.gz NAVLYFOBANJNRO-NXEZZACHSA-N 0 0 342.361 4.470 20 10 EICDRN C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000788752909 1047287378 /nfs/dbraw/zinc/28/73/78/1047287378.db2.gz XPWHPVXDQBTUHZ-QWHCGFSZSA-N 0 0 331.378 4.411 20 10 EICDRN Cc1cc(C)c([C@@H](C)Nc2ccc(N3CCOCC3)c(F)c2)c(O)c1 ZINC000788735621 1047299950 /nfs/dbraw/zinc/29/99/50/1047299950.db2.gz MNEFKBZZZAWLNE-OAHLLOKOSA-N 0 0 344.430 4.158 20 10 EICDRN CC(C)CC[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918055955 1047306521 /nfs/dbraw/zinc/30/65/21/1047306521.db2.gz OQSFAOXJAIWVTR-MRXNPFEDSA-N 0 0 331.504 4.251 20 10 EICDRN CC(=Cc1cccc(C(F)(F)F)c1)C=C1SC(=S)NC1=O ZINC000806569392 1047310692 /nfs/dbraw/zinc/31/06/92/1047310692.db2.gz SLUYPFXLRJGBBH-XSIURBDDSA-N 0 0 329.368 4.141 20 10 EICDRN C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788776501 1047312926 /nfs/dbraw/zinc/31/29/26/1047312926.db2.gz OVSFBXMURSHKKA-TZMCWYRMSA-N 0 0 342.405 4.079 20 10 EICDRN C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788817775 1047318608 /nfs/dbraw/zinc/31/86/08/1047318608.db2.gz NBFWRLSWMFCPKK-LLVKDONJSA-N 0 0 349.356 4.181 20 10 EICDRN C[C@@H](NC(=O)NCc1ccccc1O)c1ccc(F)c2ccccc21 ZINC000806644367 1047341606 /nfs/dbraw/zinc/34/16/06/1047341606.db2.gz YZGLKUJEBOFTMQ-CYBMUJFWSA-N 0 0 338.382 4.245 20 10 EICDRN C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(Br)cc1O ZINC000806661868 1047347476 /nfs/dbraw/zinc/34/74/76/1047347476.db2.gz FVTDRVHCKNLGRI-JMCQJSRRSA-N 0 0 338.167 4.146 20 10 EICDRN C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(Br)cc1O ZINC000806661871 1047347633 /nfs/dbraw/zinc/34/76/33/1047347633.db2.gz FVTDRVHCKNLGRI-KRTXAFLBSA-N 0 0 338.167 4.146 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2cccs2)cc1 ZINC000918186654 1047372801 /nfs/dbraw/zinc/37/28/01/1047372801.db2.gz PUMIUUCEJWTVMC-CQSZACIVSA-N 0 0 331.485 4.155 20 10 EICDRN C[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000918211139 1047380257 /nfs/dbraw/zinc/38/02/57/1047380257.db2.gz GQLHQLURMGJEQA-HKUYNNGSSA-N 0 0 343.515 4.397 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]2c2ccccc2)cc1 ZINC000918228847 1047385392 /nfs/dbraw/zinc/38/53/92/1047385392.db2.gz MZWCKZRCIURXMP-FQEVSTJZSA-N 0 0 337.467 4.189 20 10 EICDRN COC(=O)c1cc(CSc2ncc(-c3ccccc3)n2C)c(C)o1 ZINC000747365400 1047393256 /nfs/dbraw/zinc/39/32/56/1047393256.db2.gz PIHAYVJFCXYBTD-UHFFFAOYSA-N 0 0 342.420 4.067 20 10 EICDRN CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001126784084 1047413054 /nfs/dbraw/zinc/41/30/54/1047413054.db2.gz WQODPOKEGPHJKU-LSDHHAIUSA-N 0 0 348.450 4.407 20 10 EICDRN CCCCN(C(=O)NCCc1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000841953550 1047426234 /nfs/dbraw/zinc/42/62/34/1047426234.db2.gz AGMOQFNHJXOSCY-KRWDZBQOSA-N 0 0 339.483 4.384 20 10 EICDRN CC[C@@H](SC)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000746822003 1047430157 /nfs/dbraw/zinc/43/01/57/1047430157.db2.gz LFKUKAQXHQJQOM-GOSISDBHSA-N 0 0 346.496 4.016 20 10 EICDRN C[C@@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@@H]1O ZINC000789833415 1047477883 /nfs/dbraw/zinc/47/78/83/1047477883.db2.gz JTJSVSSXOHBYOZ-KDOFPFPSSA-N 0 0 338.411 4.337 20 10 EICDRN CCCN(CCC)c1ccc(CNc2ccc(C(N)=O)cc2)cc1 ZINC000789880363 1047479852 /nfs/dbraw/zinc/47/98/52/1047479852.db2.gz LDRMMDSTXTYPIR-UHFFFAOYSA-N 0 0 325.456 4.024 20 10 EICDRN Cc1ccc(O)c(CNc2ccc(C(=O)NCC(C)C)cc2C)c1 ZINC000789889533 1047480934 /nfs/dbraw/zinc/48/09/34/1047480934.db2.gz HXPVMYCOTGFITN-UHFFFAOYSA-N 0 0 326.440 4.007 20 10 EICDRN Cc1cc(C(=O)NC[C@H]2CCCSC2)c(C)n1-c1ccc(F)cc1 ZINC000807724175 1047488591 /nfs/dbraw/zinc/48/85/91/1047488591.db2.gz ZSCVCCHKZDESJQ-OAHLLOKOSA-N 0 0 346.471 4.106 20 10 EICDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])c1cncs1 ZINC000897929919 1047509883 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Cc1cc(C(=O)N(C)Cc2ccoc2)c(C)n1-c1ccc(F)cc1 ZINC000918683694 1047581044 /nfs/dbraw/zinc/58/10/44/1047581044.db2.gz CRROOOBSKJSSKH-UHFFFAOYSA-N 0 0 326.371 4.098 20 10 EICDRN CN(C)c1ccc(CN(C(=O)C2(C(F)F)CCCC2)C2CC2)cc1 ZINC000808113067 1047608524 /nfs/dbraw/zinc/60/85/24/1047608524.db2.gz VXVMPYZDNZZAGQ-UHFFFAOYSA-N 0 0 336.426 4.069 20 10 EICDRN Cc1ccsc1CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001127482470 1047823402 /nfs/dbraw/zinc/82/34/02/1047823402.db2.gz NUQMJLINPQZJJZ-UHFFFAOYSA-N 0 0 338.476 4.437 20 10 EICDRN Cc1cccc(NC(=O)NCCCSc2nccs2)c1Cl ZINC000154977126 1047838120 /nfs/dbraw/zinc/83/81/20/1047838120.db2.gz CBZQNQVZVVIOCH-UHFFFAOYSA-N 0 0 341.889 4.409 20 10 EICDRN Cc1cc(=O)[nH]c2cc(C(=O)Nc3cccc(N4CCCC4)c3)ccc12 ZINC000808280631 1047854979 /nfs/dbraw/zinc/85/49/79/1047854979.db2.gz NUUXDFYXPOBRAG-UHFFFAOYSA-N 0 0 347.418 4.101 20 10 EICDRN COc1ccc(Cl)cc1/C=C1\SC(=S)N(C2CCC2)C1=O ZINC000814185724 1047881764 /nfs/dbraw/zinc/88/17/64/1047881764.db2.gz ODBMMDHUMMRGRU-JYRVWZFOSA-N 0 0 339.869 4.102 20 10 EICDRN CCOc1ccc(Cl)c(NCc2cc(OC)c(OC)cc2O)c1 ZINC000824678163 1047898810 /nfs/dbraw/zinc/89/88/10/1047898810.db2.gz OLXBPDMEKOZMKX-UHFFFAOYSA-N 0 0 337.803 4.074 20 10 EICDRN Cc1csc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])c1 ZINC000824751394 1047939140 /nfs/dbraw/zinc/93/91/40/1047939140.db2.gz VCZKYNGTLNJKQQ-UHFFFAOYSA-N 0 0 326.259 4.123 20 10 EICDRN O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1Cc1ccccc1 ZINC000814271462 1047926434 /nfs/dbraw/zinc/92/64/34/1047926434.db2.gz MPODSVSJCCQKQQ-OVCLIPMQSA-N 0 0 347.411 4.366 20 10 EICDRN COc1cccc(N2C(=O)/C(=C/c3sccc3C)SC2=S)c1 ZINC000814276916 1047931323 /nfs/dbraw/zinc/93/13/23/1047931323.db2.gz NKJJIXQUANCWFH-ZROIWOOFSA-N 0 0 347.486 4.471 20 10 EICDRN COc1cc(Br)c(CSc2nccs2)cc1OC ZINC000919675711 1047965967 /nfs/dbraw/zinc/96/59/67/1047965967.db2.gz VJBDQQCFWZBJJI-UHFFFAOYSA-N 0 0 346.271 4.215 20 10 EICDRN Cc1c2cccc(C)c2oc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000919683203 1047983505 /nfs/dbraw/zinc/98/35/05/1047983505.db2.gz ZMVWKIYROLGXML-UHFFFAOYSA-N 0 0 336.435 4.388 20 10 EICDRN C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000814367697 1047991647 /nfs/dbraw/zinc/99/16/47/1047991647.db2.gz VRTFTZWEOSNAHW-CYBMUJFWSA-N 0 0 336.395 4.382 20 10 EICDRN COCc1ccccc1NCc1cc(C)cc(Br)c1O ZINC000824998407 1048006076 /nfs/dbraw/zinc/00/60/76/1048006076.db2.gz PVMOLVNTPTXKRM-UHFFFAOYSA-N 0 0 336.229 4.222 20 10 EICDRN Cc1cc(O)c(CNc2ccc(N3CCOC[C@H]3C)cc2)cc1Cl ZINC000825027320 1048021523 /nfs/dbraw/zinc/02/15/23/1048021523.db2.gz XLSWYRFHJPXAEH-CQSZACIVSA-N 0 0 346.858 4.191 20 10 EICDRN Cc1cc(O)c(CNc2cccc(N3CCOC3=O)c2C)cc1Cl ZINC000825033612 1048022273 /nfs/dbraw/zinc/02/22/73/1048022273.db2.gz QRDTXVQBULSTLF-UHFFFAOYSA-N 0 0 346.814 4.231 20 10 EICDRN Cc1cc(CC(=O)N[C@H]2CCCC3(CC3)C2)c(C)n1-c1ccccc1 ZINC001134362076 1048027237 /nfs/dbraw/zinc/02/72/37/1048027237.db2.gz MUSSOAOHLUFFIO-IBGZPJMESA-N 0 0 336.479 4.476 20 10 EICDRN Cc1cc(Cl)cc([C@@H](C)Nc2cccc(C(=O)N(C)C)c2)c1O ZINC000808712285 1048058752 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Cc1ccc(C)n1-c1ccc(C(=O)N2CC(C)(CC(F)F)C2)cc1 ZINC000844011434 1048177732 /nfs/dbraw/zinc/17/77/32/1048177732.db2.gz ULOPNKAYBJADRC-UHFFFAOYSA-N 0 0 332.394 4.211 20 10 EICDRN Cc1cc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)ccc1N(C)C ZINC000815020108 1048298898 /nfs/dbraw/zinc/29/88/98/1048298898.db2.gz YVAUJQQMTCSEHW-GOSISDBHSA-N 0 0 340.471 4.049 20 10 EICDRN C[C@H]1CC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000844423267 1048320986 /nfs/dbraw/zinc/32/09/86/1048320986.db2.gz MVSMXVNCKXJCOC-SHTZXODSSA-N 0 0 334.423 4.161 20 10 EICDRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc2c(c1)CCCC2=O ZINC000815098380 1048345006 /nfs/dbraw/zinc/34/50/06/1048345006.db2.gz JMZOJOZNZNZYPW-UHFFFAOYSA-N 0 0 348.446 4.448 20 10 EICDRN Cc1cc(C(=O)NCc2ccoc2)c(C)n1-c1cccc(Cl)c1 ZINC000919980423 1048366626 /nfs/dbraw/zinc/36/66/26/1048366626.db2.gz XWYMMAHODZEEKB-UHFFFAOYSA-N 0 0 328.799 4.271 20 10 EICDRN COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1C ZINC000815149848 1048368834 /nfs/dbraw/zinc/36/88/34/1048368834.db2.gz 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EICDRN CCCN(Cc1ccccc1O)C(=O)c1cnc2c(F)cccc2c1 ZINC000815797280 1048606041 /nfs/dbraw/zinc/60/60/41/1048606041.db2.gz JXPIBFWYWVXDCE-UHFFFAOYSA-N 0 0 338.382 4.132 20 10 EICDRN C[C@H]1CCCC[C@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000920241438 1048613278 /nfs/dbraw/zinc/61/32/78/1048613278.db2.gz CDHPYHFITQUZEB-WMZOPIPTSA-N 0 0 343.515 4.253 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCC[C@H]1C ZINC000920243218 1048613316 /nfs/dbraw/zinc/61/33/16/1048613316.db2.gz RRIFCWQALFHQSF-SJLPKXTDSA-N 0 0 331.504 4.110 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2cnc(C)s2)cc1 ZINC001132027461 1048614495 /nfs/dbraw/zinc/61/44/95/1048614495.db2.gz YXGNMDGWVQTADB-CQSZACIVSA-N 0 0 339.464 4.350 20 10 EICDRN Cc1cc(CNC(=O)c2ccc(F)c(F)c2)c(C)n1-c1ccccc1 ZINC001132047968 1048623992 /nfs/dbraw/zinc/62/39/92/1048623992.db2.gz DJUAKJHMBJNSME-UHFFFAOYSA-N 0 0 340.373 4.302 20 10 EICDRN Cc1ccc2c(c1)ncnc2NCc1cc(Br)ccc1O ZINC001171173909 1048633877 /nfs/dbraw/zinc/63/38/77/1048633877.db2.gz 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ZINC000846170872 1048827921 /nfs/dbraw/zinc/82/79/21/1048827921.db2.gz MPTPLNACUIIMMJ-ZDUSSCGKSA-N 0 0 329.444 4.304 20 10 EICDRN COc1cc(N[C@@H](C)c2cccc(OC)c2O)c(Cl)c(OC)c1 ZINC000846170040 1048828083 /nfs/dbraw/zinc/82/80/83/1048828083.db2.gz VCABQMAWJQHYQU-JTQLQIEISA-N 0 0 337.803 4.245 20 10 EICDRN Cc1ccccc1C1([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000846174646 1048829548 /nfs/dbraw/zinc/82/95/48/1048829548.db2.gz OSQXCKWAXBGKHY-CQSZACIVSA-N 0 0 326.396 4.339 20 10 EICDRN Cc1nc(-c2cccc(NCc3cc(Cl)c(F)cc3O)c2)no1 ZINC000816526190 1048830755 /nfs/dbraw/zinc/83/07/55/1048830755.db2.gz WWGPZSWUBKVLIJ-UHFFFAOYSA-N 0 0 333.750 4.155 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000816528495 1048831193 /nfs/dbraw/zinc/83/11/93/1048831193.db2.gz FIUKUJYMEHSZNY-UHFFFAOYSA-N 0 0 331.721 4.076 20 10 EICDRN COc1cc(NCc2ccc3ccccc3c2O)cc(-n2cccn2)c1 ZINC000816594494 1048833018 /nfs/dbraw/zinc/83/30/18/1048833018.db2.gz GBXUREXWSFMKSN-UHFFFAOYSA-N 0 0 345.402 4.352 20 10 EICDRN COc1ccc(N(C)Cc2conc2Cc2ccccc2)cc1F ZINC000816565863 1048837280 /nfs/dbraw/zinc/83/72/80/1048837280.db2.gz DPEDJWDJGBQBCM-UHFFFAOYSA-N 0 0 326.371 4.050 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1nc2ccccc2s1 ZINC000816610669 1048844275 /nfs/dbraw/zinc/84/42/75/1048844275.db2.gz TVQIBIDHAWCBPW-UHFFFAOYSA-N 0 0 336.819 4.127 20 10 EICDRN CCN(Cc1cn2cc(Cl)ccc2n1)c1ccc(OC)c(OC)c1 ZINC000921061290 1048845420 /nfs/dbraw/zinc/84/54/20/1048845420.db2.gz BBFOLDUTUUUMEW-UHFFFAOYSA-N 0 0 345.830 4.031 20 10 EICDRN CCOc1cccc(CN2CCc3cc(OC)c(Cl)cc3C2)c1O ZINC000816665217 1048851768 /nfs/dbraw/zinc/85/17/68/1048851768.db2.gz XTEDDUHATKYGHB-UHFFFAOYSA-N 0 0 347.842 4.011 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(NC)ccc1Cl ZINC000816914558 1048880770 /nfs/dbraw/zinc/88/07/70/1048880770.db2.gz VXOZVPJJVMKWOZ-UHFFFAOYSA-N 0 0 332.831 4.140 20 10 EICDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCc2sc(Cl)cc21 ZINC000817019447 1048886771 /nfs/dbraw/zinc/88/67/71/1048886771.db2.gz JRQGXALAOYTKSW-HWPRWLFBSA-N 0 0 349.839 4.020 20 10 EICDRN Clc1cc(OCc2nnc(C3CC3)o2)ccc1N1CCCCC1 ZINC000817381621 1048952906 /nfs/dbraw/zinc/95/29/06/1048952906.db2.gz HYGDMKSNVJBAPO-UHFFFAOYSA-N 0 0 333.819 4.170 20 10 EICDRN CCc1oc2ccccc2c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001135914545 1048966463 /nfs/dbraw/zinc/96/64/63/1048966463.db2.gz JPZFYJZQIUDNIG-UHFFFAOYSA-N 0 0 336.435 4.333 20 10 EICDRN Cc1ccc(/C=C\C(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)cn1 ZINC000817481988 1048978502 /nfs/dbraw/zinc/97/85/02/1048978502.db2.gz GFJKYYMRVBDKSM-HLRDLLSLSA-N 0 0 346.352 4.486 20 10 EICDRN Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)Cc1ccccc1O ZINC000174935744 1049012364 /nfs/dbraw/zinc/01/23/64/1049012364.db2.gz XQIWZTXQDLKQAS-UHFFFAOYSA-N 0 0 338.329 4.383 20 10 EICDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@]2(CC=CCC2)C1 ZINC001146353902 1049019522 /nfs/dbraw/zinc/01/95/22/1049019522.db2.gz MVNJHKDAWKJGHT-LJQANCHMSA-N 0 0 343.448 4.275 20 10 EICDRN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC001146465903 1049023740 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SPMQPKMKCFGTOI-UHFFFAOYSA-N 0 0 340.452 4.123 20 10 EICDRN Nc1ccc(N(CCO)c2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC001192524316 1051746423 /nfs/dbraw/zinc/74/64/23/1051746423.db2.gz OMKWXBZGZGZDAU-UHFFFAOYSA-N 0 0 330.737 4.071 20 10 EICDRN CC[C@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000775535652 1051762084 /nfs/dbraw/zinc/76/20/84/1051762084.db2.gz CULXHTKOZAYHTQ-UWVGGRQHSA-N 0 0 346.176 4.317 20 10 EICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC001182977552 1051764902 /nfs/dbraw/zinc/76/49/02/1051764902.db2.gz GMLOILZWENBECJ-MRXNPFEDSA-N 0 0 339.826 4.008 20 10 EICDRN CC[C@@H](Nc1ccc(OC)cn1)c1cc(Br)ccc1O ZINC000775540155 1051785340 /nfs/dbraw/zinc/78/53/40/1051785340.db2.gz KCVVLPOZJQYGEL-CYBMUJFWSA-N 0 0 337.217 4.122 20 10 EICDRN CC[C@@H](Nc1cccc(C(=O)N(C)C)c1)c1cc(Cl)ccc1O ZINC000775544692 1051801500 /nfs/dbraw/zinc/80/15/00/1051801500.db2.gz VPONRSLANNDEGH-MRXNPFEDSA-N 0 0 332.831 4.311 20 10 EICDRN COc1c(Cl)cccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775555718 1051840503 /nfs/dbraw/zinc/84/05/03/1051840503.db2.gz BORXOVFKGBSLQB-LBPRGKRZSA-N 0 0 347.846 4.297 20 10 EICDRN CCOc1ccc(N(C)Cc2ccc3oc(C(=O)OC)cc3c2)cc1 ZINC001175945232 1051845718 /nfs/dbraw/zinc/84/57/18/1051845718.db2.gz CKLYTWXZZUZELY-UHFFFAOYSA-N 0 0 339.391 4.255 20 10 EICDRN Oc1cccc2c1CN(Cc1ccc(Br)c(Cl)c1)C2 ZINC001183453847 1051847067 /nfs/dbraw/zinc/84/70/67/1051847067.db2.gz HTHALYNLEYJIGM-UHFFFAOYSA-N 0 0 338.632 4.324 20 10 EICDRN Cc1cc(O)c(CNc2ccc3[nH]c(=O)n(C4CC4)c3c2)cc1Cl ZINC001183480381 1051848323 /nfs/dbraw/zinc/84/83/23/1051848323.db2.gz AQODQBZCBSYXTC-UHFFFAOYSA-N 0 0 343.814 4.356 20 10 EICDRN CCOc1ccc(N(C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001175947558 1051864681 /nfs/dbraw/zinc/86/46/81/1051864681.db2.gz SWYVUHSQUUIMRJ-MRXNPFEDSA-N 0 0 348.487 4.169 20 10 EICDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC001193164442 1051882318 /nfs/dbraw/zinc/88/23/18/1051882318.db2.gz BLQFDYHKUWTLBD-KGLIPLIRSA-N 0 0 329.419 4.013 20 10 EICDRN O=C(CSc1nccs1)N(Cc1ccccc1)c1ccccc1 ZINC000071971265 1051890429 /nfs/dbraw/zinc/89/04/29/1051890429.db2.gz LFOQOWWITKGLBN-UHFFFAOYSA-N 0 0 340.473 4.469 20 10 EICDRN CCOCc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775590481 1051899935 /nfs/dbraw/zinc/89/99/35/1051899935.db2.gz JNKUZBQZFMJKIS-HNNXBMFYSA-N 0 0 341.455 4.172 20 10 EICDRN C[C@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237783949 1051900045 /nfs/dbraw/zinc/90/00/45/1051900045.db2.gz MONPPGFSHGGLBP-QMMMGPOBSA-N 0 0 338.167 4.015 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC001183887564 1051915143 /nfs/dbraw/zinc/91/51/43/1051915143.db2.gz ZGDUTHQUFRDGMS-NSHDSACASA-N 0 0 340.851 4.096 20 10 EICDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ccc(N(C)C)cc1 ZINC001193448964 1051921776 /nfs/dbraw/zinc/92/17/76/1051921776.db2.gz YPRLFTHAQGYFFU-YWZLYKJASA-N 0 0 344.886 4.368 20 10 EICDRN CCCCCCOC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001194197385 1052104355 /nfs/dbraw/zinc/10/43/55/1052104355.db2.gz XMKLDRVZYJZXPJ-UHFFFAOYSA-N 0 0 336.819 4.400 20 10 EICDRN Cc1cc(Br)ccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001184830695 1052112231 /nfs/dbraw/zinc/11/22/31/1052112231.db2.gz OKDMESHNXXZHSJ-NSHDSACASA-N 0 0 349.228 4.346 20 10 EICDRN COc1ccc(N(Cc2nc(C)c3ccccc3n2)CC2CC2)cc1 ZINC001194468338 1052151924 /nfs/dbraw/zinc/15/19/24/1052151924.db2.gz XRELQQKTAULDOX-UHFFFAOYSA-N 0 0 333.435 4.363 20 10 EICDRN COc1ccc(N2CCC(Nc3nc4ccc(F)cc4o3)CC2)cc1 ZINC001185188220 1052189212 /nfs/dbraw/zinc/18/92/12/1052189212.db2.gz FGYWPUGJDIQBOQ-UHFFFAOYSA-N 0 0 341.386 4.056 20 10 EICDRN COc1nscc1NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001176764001 1052192584 /nfs/dbraw/zinc/19/25/84/1052192584.db2.gz PBIURRFXDQVNIF-UHFFFAOYSA-N 0 0 341.436 4.120 20 10 EICDRN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000774844502 1052198094 /nfs/dbraw/zinc/19/80/94/1052198094.db2.gz DHZGEGVYFPEISZ-LBPRGKRZSA-N 0 0 348.374 4.031 20 10 EICDRN COc1ccc(N(Cc2nccs2)Cc2ccccc2)cc1OC ZINC001177021573 1052218468 /nfs/dbraw/zinc/21/84/68/1052218468.db2.gz BNYLIBSEKKUBAG-UHFFFAOYSA-N 0 0 340.448 4.367 20 10 EICDRN C[C@H](NC(=O)N1CCC[C@@H]1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000773610197 1052222238 /nfs/dbraw/zinc/22/22/38/1052222238.db2.gz CBKMSPIPFVRSIY-HNAYVOBHSA-N 0 0 329.488 4.178 20 10 EICDRN C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000184856827 1052266181 /nfs/dbraw/zinc/26/61/81/1052266181.db2.gz QYFNNNIWGPURNU-RHSMWYFYSA-N 0 0 332.419 4.002 20 10 EICDRN CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(F)cc1[O-])O[C@@H](C)C2 ZINC000184897961 1052298088 /nfs/dbraw/zinc/29/80/88/1052298088.db2.gz STXPLNFDPSDEHP-QWHCGFSZSA-N 0 0 345.414 4.104 20 10 EICDRN Cc1ccc(O)c([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000185124049 1052446370 /nfs/dbraw/zinc/44/63/70/1052446370.db2.gz DWQPLVOJNDRLFA-MRXNPFEDSA-N 0 0 343.442 4.239 20 10 EICDRN CCc1nc(Cl)cc(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001168528631 1052629180 /nfs/dbraw/zinc/62/91/80/1052629180.db2.gz XASCYLBPFGIRQI-UHFFFAOYSA-N 0 0 349.221 4.212 20 10 EICDRN CCC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCCC1 ZINC000763938191 1052649362 /nfs/dbraw/zinc/64/93/62/1052649362.db2.gz BEOVUYOYGAQRPG-UHFFFAOYSA-N 0 0 346.540 4.217 20 10 EICDRN C[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccc(F)cc1[O-] ZINC000185720717 1052685477 /nfs/dbraw/zinc/68/54/77/1052685477.db2.gz GFCLKIXKVPINPX-MEDUHNTESA-N 0 0 331.412 4.130 20 10 EICDRN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)c(C)n1-c1ccccn1 ZINC001299248240 1052759107 /nfs/dbraw/zinc/75/91/07/1052759107.db2.gz IWLOADUIRFBJFS-ZWKOTPCHSA-N 0 0 339.483 4.434 20 10 EICDRN c1csc(-c2nnc(NCc3ccc(N4CCCCC4)cc3)o2)c1 ZINC000186012430 1052845351 /nfs/dbraw/zinc/84/53/51/1052845351.db2.gz LHEJUMZVESWTIS-UHFFFAOYSA-N 0 0 340.452 4.401 20 10 EICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1ccoc1 ZINC000186134878 1052937931 /nfs/dbraw/zinc/93/79/31/1052937931.db2.gz BANOHRLQYCPFRQ-INIZCTEOSA-N 0 0 335.403 4.318 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000764322088 1053059206 /nfs/dbraw/zinc/05/92/06/1053059206.db2.gz IMPFBTCZGUROEN-NSHDSACASA-N 0 0 333.453 4.251 20 10 EICDRN CCc1nc(CNCc2cc(OC)cc(C(C)(C)C)c2O)cs1 ZINC000850128900 1053076408 /nfs/dbraw/zinc/07/64/08/1053076408.db2.gz BKAZQNJWGTVIRV-UHFFFAOYSA-N 0 0 334.485 4.007 20 10 EICDRN COc1ccc(C=C2SC(Nc3ccccc3C)=NC2=O)cc1F ZINC000007367254 1053119744 /nfs/dbraw/zinc/11/97/44/1053119744.db2.gz ZMXBSGPNICDVOL-YBEGLDIGSA-N 0 0 342.395 4.225 20 10 EICDRN CC[C@H](Nc1cccc(-n2nccn2)c1)c1cc(Cl)ccc1O ZINC000864024501 1053156247 /nfs/dbraw/zinc/15/62/47/1053156247.db2.gz YTSVSDKDXBOHFO-INIZCTEOSA-N 0 0 328.803 4.190 20 10 EICDRN CCOc1ccc(N(Cc2ccc(OC(C)=O)cc2)CC2CC2)cc1 ZINC000864033224 1053175876 /nfs/dbraw/zinc/17/58/76/1053175876.db2.gz QEWGNUJKEBHFEA-UHFFFAOYSA-N 0 0 339.435 4.427 20 10 EICDRN CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccc2ccccc2c1 ZINC000864095175 1053207743 /nfs/dbraw/zinc/20/77/43/1053207743.db2.gz PLBTXGIBEPTIHI-QBFSEMIESA-N 0 0 339.398 4.459 20 10 EICDRN COC(=O)c1cccc(CN(C)c2ccc(-c3nccs3)cc2)c1 ZINC001194992443 1053218784 /nfs/dbraw/zinc/21/87/84/1053218784.db2.gz CQJYLIFAJIEHOU-UHFFFAOYSA-N 0 0 338.432 4.233 20 10 EICDRN CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000850499661 1053259205 /nfs/dbraw/zinc/25/92/05/1053259205.db2.gz UIRRNOPTAMUJBP-KPXOXKRLSA-N 0 0 341.242 4.037 20 10 EICDRN C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850493577 1053260144 /nfs/dbraw/zinc/26/01/44/1053260144.db2.gz JTJBNKIZGIQYNU-GHMZBOCLSA-N 0 0 331.287 4.222 20 10 EICDRN CC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850524365 1053283955 /nfs/dbraw/zinc/28/39/55/1053283955.db2.gz XFMRJYFYSWDJOB-GWCFXTLKSA-N 0 0 330.255 4.451 20 10 EICDRN C[C@@H]([NH2+]CCCOC(C)(C)C)c1cc(Br)cc(F)c1[O-] ZINC000850528028 1053291509 /nfs/dbraw/zinc/29/15/09/1053291509.db2.gz ZWKXFPXANVFFAN-SNVBAGLBSA-N 0 0 348.256 4.150 20 10 EICDRN CC[C@@H]([NH2+]Cc1cc(COC)cs1)c1cccc(Cl)c1[O-] ZINC000850533239 1053299575 /nfs/dbraw/zinc/29/95/75/1053299575.db2.gz TXIGPANJIKGLAF-OAHLLOKOSA-N 0 0 325.861 4.494 20 10 EICDRN Cc1cc(C)cc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000764782677 1053303279 /nfs/dbraw/zinc/30/32/79/1053303279.db2.gz HKARNFSYPNVVGF-UHFFFAOYSA-N 0 0 349.478 4.021 20 10 EICDRN COc1ccc(C[NH2+]C[C@H](CC(=O)[O-])[C@H]2CCC[C@@H](C)C2)cc1C ZINC000864532307 1053309055 /nfs/dbraw/zinc/30/90/55/1053309055.db2.gz FIQWSXWMTBZFQC-JLSDUUJJSA-N 0 0 333.472 4.010 20 10 EICDRN CC[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cccc(Cl)c1[O-] ZINC000850565931 1053320579 /nfs/dbraw/zinc/32/05/79/1053320579.db2.gz HXOZAVJXNZDUCC-CYBMUJFWSA-N 0 0 333.806 4.027 20 10 EICDRN C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1cc(F)cc(F)c1[O-] ZINC000850569937 1053323098 /nfs/dbraw/zinc/32/30/98/1053323098.db2.gz NVBZNBHYUNIOLA-QMMMGPOBSA-N 0 0 347.283 4.262 20 10 EICDRN COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])c1 ZINC000775644851 1053333172 /nfs/dbraw/zinc/33/31/72/1053333172.db2.gz WAXYJPNWFJZQTI-QGZVFWFLSA-N 0 0 347.842 4.400 20 10 EICDRN CC(C)C[C@@H](C(=O)NCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000850712291 1053342339 /nfs/dbraw/zinc/34/23/39/1053342339.db2.gz VYKYYTAACGYSDC-GOSISDBHSA-N 0 0 330.859 4.368 20 10 EICDRN Cc1cnc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)nc1C ZINC001195254742 1053348668 /nfs/dbraw/zinc/34/86/68/1053348668.db2.gz LVDHGFWKBRXDQT-WCWDXBQESA-N 0 0 347.378 4.467 20 10 EICDRN CC(C)(O)CCCNC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278452 1053356234 /nfs/dbraw/zinc/35/62/34/1053356234.db2.gz GNCUOAGFMJACID-QURGRASLSA-N 0 0 341.411 4.089 20 10 EICDRN CC1(C)C[C@H](CNC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)O1 ZINC001195279779 1053357577 /nfs/dbraw/zinc/35/75/77/1053357577.db2.gz RPVJACVINXFLRX-UCMDFWOYSA-N 0 0 339.395 4.105 20 10 EICDRN Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1N ZINC000850778826 1053360643 /nfs/dbraw/zinc/36/06/43/1053360643.db2.gz GPMPZTMXXNDQOI-UHFFFAOYSA-N 0 0 340.471 4.086 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](SC)c1ccccc1 ZINC000764894351 1053360866 /nfs/dbraw/zinc/36/08/66/1053360866.db2.gz DMQONCFAVDRPMD-IBGZPJMESA-N 0 0 342.508 4.205 20 10 EICDRN Cc1ccc2ncnc(NCc3cccc(Br)c3O)c2c1 ZINC000764934877 1053388844 /nfs/dbraw/zinc/38/88/44/1053388844.db2.gz PYVIRWNOBHBSQG-UHFFFAOYSA-N 0 0 344.212 4.018 20 10 EICDRN COCc1sccc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000864950639 1053393406 /nfs/dbraw/zinc/39/34/06/1053393406.db2.gz YNZVFGYRYPHGHG-UHFFFAOYSA-N 0 0 346.496 4.011 20 10 EICDRN CCc1nc([C@H]2CCCCN2Cc2cc(Cl)cc(C)c2O)no1 ZINC000775660350 1053421649 /nfs/dbraw/zinc/42/16/49/1053421649.db2.gz SXVSEDRARKUCLU-CQSZACIVSA-N 0 0 335.835 4.027 20 10 EICDRN Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000775658112 1053423606 /nfs/dbraw/zinc/42/36/06/1053423606.db2.gz MBGGZDLCTBPRTC-KRWDZBQOSA-N 0 0 341.842 4.269 20 10 EICDRN CC[C@H](Nc1ccc(C)c(C(=O)N(C)C)c1)c1ccc(C)cc1O ZINC000794815978 1053425805 /nfs/dbraw/zinc/42/58/05/1053425805.db2.gz IVFIJGDJCCYJAT-SFHVURJKSA-N 0 0 326.440 4.274 20 10 EICDRN [O-]c1c(Cl)cccc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000775662426 1053429310 /nfs/dbraw/zinc/42/93/10/1053429310.db2.gz XGSWPPAWOIZWNN-KRWDZBQOSA-N 0 0 331.843 4.227 20 10 EICDRN COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000794822928 1053438411 /nfs/dbraw/zinc/43/84/11/1053438411.db2.gz DMVISQLMVLEGTN-WMLDXEAASA-N 0 0 349.421 4.359 20 10 EICDRN [O-]c1c(Cl)cccc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000775665886 1053441908 /nfs/dbraw/zinc/44/19/08/1053441908.db2.gz MMUIKOKDCRHZHD-QGZVFWFLSA-N 0 0 349.833 4.366 20 10 EICDRN COC(=O)c1coc([C@H](C)Sc2ncc(C(C)(C)C)s2)n1 ZINC000865358998 1053482674 /nfs/dbraw/zinc/48/26/74/1053482674.db2.gz CSRQUEUMVBNDDI-QMMMGPOBSA-N 0 0 326.443 4.069 20 10 EICDRN COc1ccc(N(C)CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC001195818402 1053496649 /nfs/dbraw/zinc/49/66/49/1053496649.db2.gz AYDPSVFKDINCOC-AWEZNQCLSA-N 0 0 346.858 4.004 20 10 EICDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCc3ccc(F)cc32)c1 ZINC000794837819 1053497255 /nfs/dbraw/zinc/49/72/55/1053497255.db2.gz ZTACVEHEGYQQMP-XIKOKIGWSA-N 0 0 343.398 4.046 20 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FQTIBVKYQPFXKI-UHFFFAOYSA-N 0 0 346.430 4.259 20 10 EICDRN CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1O ZINC000917500711 1046916305 /nfs/dbraw/zinc/91/63/05/1046916305.db2.gz GHFLDMJKQVYJPF-QGZVFWFLSA-N 0 0 330.815 4.268 20 10 EICDRN CCN(CC)c1ccc(CNC(=S)Nc2cccc(OC)c2)cc1 ZINC000917576424 1047005515 /nfs/dbraw/zinc/00/55/15/1047005515.db2.gz YFJQDOCHAMLORN-UHFFFAOYSA-N 0 0 343.496 4.028 20 10 EICDRN CCN(CC)c1ccc(CNC(=S)Nc2cccc(C)c2)cc1 ZINC000917576089 1047005956 /nfs/dbraw/zinc/00/59/56/1047005956.db2.gz HYYIJBJQQKGHPH-UHFFFAOYSA-N 0 0 327.497 4.328 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)N[C@@H]1CCCC[C@H]1C ZINC000917593275 1047014012 /nfs/dbraw/zinc/01/40/12/1047014012.db2.gz MIPBRXDDUDWSLW-VQIMIIECSA-N 0 0 347.572 4.416 20 10 EICDRN Cc1ccc(C)c(NC(=S)NCCCN(C)c2ccccc2F)c1 ZINC000917599036 1047018270 /nfs/dbraw/zinc/01/82/70/1047018270.db2.gz AONVMYWEHIFSOI-UHFFFAOYSA-N 0 0 345.487 4.255 20 10 EICDRN CC[C@H](CO)SC1=NC(=O)/C(=C/c2csc3ccccc23)S1 ZINC000917764939 1047112575 /nfs/dbraw/zinc/11/25/75/1047112575.db2.gz FNWRKSLCFQAKTG-DKTFCQPKSA-N 0 0 349.502 4.376 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCSc3ncccc32)cc1 ZINC000154516461 1047116596 /nfs/dbraw/zinc/11/65/96/1047116596.db2.gz ATUXYKMOXFIIQH-UHFFFAOYSA-N 0 0 349.459 4.242 20 10 EICDRN CC[C@@H]([NH2+]CCCCNc1ccccn1)c1cccc(Cl)c1[O-] ZINC000806136997 1047132968 /nfs/dbraw/zinc/13/29/68/1047132968.db2.gz JMRFNLASTWGXTK-MRXNPFEDSA-N 0 0 333.863 4.374 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138654 1047136630 /nfs/dbraw/zinc/13/66/30/1047136630.db2.gz YUEYBXQBGRTQAK-MEBBXXQBSA-N 0 0 331.287 4.222 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cccc(Cl)c1[O-] ZINC000806129587 1047153179 /nfs/dbraw/zinc/15/31/79/1047153179.db2.gz GXDOMFGCSZXMOR-CVEARBPZSA-N 0 0 338.904 4.451 20 10 EICDRN CC[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cccc(Cl)c1[O-] ZINC000806130559 1047154818 /nfs/dbraw/zinc/15/48/18/1047154818.db2.gz ARAAEDJFPCFKPB-HZPDHXFCSA-N 0 0 335.879 4.398 20 10 EICDRN CC[C@@H]([NH2+]CCc1cn2cccc(C)c2n1)c1cccc(Cl)c1[O-] ZINC000806140823 1047165916 /nfs/dbraw/zinc/16/59/16/1047165916.db2.gz CATRRBUMBZYAQG-QGZVFWFLSA-N 0 0 343.858 4.285 20 10 EICDRN CC[C@H]([NH2+]CCc1ccncc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806142657 1047167434 /nfs/dbraw/zinc/16/74/34/1047167434.db2.gz FQXKKLVLDINQRD-HNNXBMFYSA-N 0 0 325.239 4.377 20 10 EICDRN CC[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cccc(Cl)c1[O-] ZINC000806143841 1047167584 /nfs/dbraw/zinc/16/75/84/1047167584.db2.gz MJLKHROUCZTMDA-ZDUSSCGKSA-N 0 0 347.768 4.045 20 10 EICDRN CC[C@@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1cccc(Cl)c1[O-] ZINC000806141152 1047168029 /nfs/dbraw/zinc/16/80/29/1047168029.db2.gz GUXXQWIDFMVCJS-PIGZYNQJSA-N 0 0 335.879 4.068 20 10 EICDRN CC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144408 1047170028 /nfs/dbraw/zinc/17/00/28/1047170028.db2.gz QHCLVCHZABDMIG-IETSOEAISA-N 0 0 343.298 4.365 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cccc(Cl)c1[O-] ZINC000806147877 1047172483 /nfs/dbraw/zinc/17/24/83/1047172483.db2.gz NVMMCLXAKALTPH-OPAMFIHVSA-N 0 0 337.872 4.024 20 10 EICDRN CC[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1cccc(Cl)c1[O-] ZINC000806149140 1047172729 /nfs/dbraw/zinc/17/27/29/1047172729.db2.gz BCUGFSPSMAUAOG-CJNGLKHVSA-N 0 0 339.863 4.162 20 10 EICDRN CC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc(Cl)c1[O-] ZINC000806149492 1047175481 /nfs/dbraw/zinc/17/54/81/1047175481.db2.gz UNACBNWKFZVJNA-INIZCTEOSA-N 0 0 347.842 4.448 20 10 EICDRN CCNC(=O)c1cccc(N[C@@H](CC)c2cccc(Cl)c2O)c1 ZINC000806155578 1047179446 /nfs/dbraw/zinc/17/94/46/1047179446.db2.gz RZOFPPMWYBISKY-INIZCTEOSA-N 0 0 332.831 4.359 20 10 EICDRN CC[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc(Cl)c1[O-] ZINC000806165732 1047188968 /nfs/dbraw/zinc/18/89/68/1047188968.db2.gz OJWPCYKIAKFRIF-INIZCTEOSA-N 0 0 329.831 4.205 20 10 EICDRN CC[C@@H]([NH2+]CCCOC(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806165500 1047189203 /nfs/dbraw/zinc/18/92/03/1047189203.db2.gz KXSCXZJNZMTWSV-LLVKDONJSA-N 0 0 328.186 4.369 20 10 EICDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1cc(F)cc(F)c1 ZINC000806177212 1047202169 /nfs/dbraw/zinc/20/21/69/1047202169.db2.gz VYRTWPZKORSZDK-UHFFFAOYSA-N 0 0 347.148 4.299 20 10 EICDRN CC[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1[O-] ZINC000806181005 1047203662 /nfs/dbraw/zinc/20/36/62/1047203662.db2.gz VAFJMQRBPGNCGI-GUYCJALGSA-N 0 0 337.822 4.002 20 10 EICDRN CC[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1[O-] ZINC000806181004 1047204564 /nfs/dbraw/zinc/20/45/64/1047204564.db2.gz VAFJMQRBPGNCGI-DYVFJYSZSA-N 0 0 337.822 4.002 20 10 EICDRN COCc1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC000788508890 1047209650 /nfs/dbraw/zinc/20/96/50/1047209650.db2.gz XTCNDBJSZFAMCW-LBPRGKRZSA-N 0 0 339.357 4.408 20 10 EICDRN c1ccc(Oc2ccnc(NCc3ccc(N4CCCC4)cc3)n2)cc1 ZINC000788537245 1047216762 /nfs/dbraw/zinc/21/67/62/1047216762.db2.gz INQYNRXFJAIPOJ-UHFFFAOYSA-N 0 0 346.434 4.481 20 10 EICDRN Cc1cc(C(=O)N(C)CCCCO)c(C)n1-c1ccc(C(C)C)cc1 ZINC000788553399 1047223062 /nfs/dbraw/zinc/22/30/62/1047223062.db2.gz XGKBWFDROGXYEN-UHFFFAOYSA-N 0 0 342.483 4.062 20 10 EICDRN C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000788561647 1047225579 /nfs/dbraw/zinc/22/55/79/1047225579.db2.gz GSIUJLJJZOIPRH-NEPJUHHUSA-N 0 0 339.357 4.315 20 10 EICDRN CCc1cnc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000788607056 1047245985 /nfs/dbraw/zinc/24/59/85/1047245985.db2.gz BTWUPWFPQQRKAO-VIFPVBQESA-N 0 0 330.375 4.281 20 10 EICDRN C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000788618794 1047249657 /nfs/dbraw/zinc/24/96/57/1047249657.db2.gz BKLLHAIRQBXXQP-HUUCEWRRSA-N 0 0 346.421 4.238 20 10 EICDRN C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000788618789 1047250343 /nfs/dbraw/zinc/25/03/43/1047250343.db2.gz BKLLHAIRQBXXQP-CABCVRRESA-N 0 0 346.421 4.238 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000788642067 1047258055 /nfs/dbraw/zinc/25/80/55/1047258055.db2.gz DDHCLEFLGGZNHR-DTWKUNHWSA-N 0 0 345.283 4.029 20 10 EICDRN C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788693377 1047264923 /nfs/dbraw/zinc/26/49/23/1047264923.db2.gz SQWNKNICBLUZOF-QWHCGFSZSA-N 0 0 345.405 4.250 20 10 EICDRN C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000788672883 1047271022 /nfs/dbraw/zinc/27/10/22/1047271022.db2.gz SSVZDGDXWCQIEN-HEHGZKQESA-N 0 0 345.405 4.393 20 10 EICDRN Cc1cc(C)c([C@@H](C)Nc2cccc(N3CCOCC3)c2)c(O)c1 ZINC000788704358 1047272595 /nfs/dbraw/zinc/27/25/95/1047272595.db2.gz PGPPXMGKQAHOPL-MRXNPFEDSA-N 0 0 326.440 4.019 20 10 EICDRN C[C@H](Nc1cnn(CC2CC2)c1)c1cccc(C(F)(F)F)c1O ZINC000788708742 1047274368 /nfs/dbraw/zinc/27/43/68/1047274368.db2.gz AFKAZPQGIRJVBX-JTQLQIEISA-N 0 0 325.334 4.191 20 10 EICDRN CCC(CC)[C@@H](CC[NH2+]Cc1cccc(Br)c1[O-])OC ZINC000746761560 1047289095 /nfs/dbraw/zinc/28/90/95/1047289095.db2.gz QIANCTIZMXXFJW-OAHLLOKOSA-N 0 0 344.293 4.086 20 10 EICDRN COc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)ccc1Cl ZINC000788760769 1047290033 /nfs/dbraw/zinc/29/00/33/1047290033.db2.gz DKYOTBFPDXZMFP-UHFFFAOYSA-N 0 0 347.846 4.045 20 10 EICDRN O=C1[C@H](Sc2nccs2)CCN1c1ccc(Cl)cc1Cl ZINC000788810868 1047312785 /nfs/dbraw/zinc/31/27/85/1047312785.db2.gz HFUYZRLQWLYVPU-LLVKDONJSA-N 0 0 345.276 4.348 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)n(C(C)C)c2C)cc1 ZINC000918112607 1047327613 /nfs/dbraw/zinc/32/76/13/1047327613.db2.gz HAADIKQRVAOGNI-UHFFFAOYSA-N 0 0 341.499 4.462 20 10 EICDRN COc1ccc(CNC(=O)Nc2cccc(-c3ccccc3)c2)c(O)c1 ZINC000806760843 1047355990 /nfs/dbraw/zinc/35/59/90/1047355990.db2.gz OZJFUBGEUABQMR-UHFFFAOYSA-N 0 0 348.402 4.390 20 10 EICDRN O=C(NCCCSc1nccs1)Nc1cccc(F)c1Cl ZINC000806772411 1047357984 /nfs/dbraw/zinc/35/79/84/1047357984.db2.gz QHUHHLDNGUYHMX-UHFFFAOYSA-N 0 0 345.852 4.240 20 10 EICDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccc(F)c1Cl ZINC000806770872 1047358526 /nfs/dbraw/zinc/35/85/26/1047358526.db2.gz DIMPCDOBIQQJPA-UHFFFAOYSA-N 0 0 348.805 4.385 20 10 EICDRN CN(C)c1ccc(CN(C(=O)c2cccc3[nH]ccc32)C2CC2)cc1 ZINC000747355349 1047370543 /nfs/dbraw/zinc/37/05/43/1047370543.db2.gz MQHZNHXDUSFKHV-UHFFFAOYSA-N 0 0 333.435 4.039 20 10 EICDRN COc1cccc(CNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1O ZINC000760456101 1047375954 /nfs/dbraw/zinc/37/59/54/1047375954.db2.gz VCYONVMSHZMCTF-HNNXBMFYSA-N 0 0 341.451 4.019 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)c2cc3sccc3s2)cc1 ZINC000918278584 1047397074 /nfs/dbraw/zinc/39/70/74/1047397074.db2.gz AJFPZKCYWFZBBL-UHFFFAOYSA-N 0 0 330.478 4.301 20 10 EICDRN Oc1c(CNc2cnc3ccoc3c2)cc(Cl)c2cccnc12 ZINC001168523647 1047400181 /nfs/dbraw/zinc/40/01/81/1047400181.db2.gz QMUPNRPWNVUGBY-UHFFFAOYSA-N 0 0 325.755 4.347 20 10 EICDRN C[C@H](NC(=O)N(C)C1CCC(F)(F)CC1)c1ccc(N(C)C)cc1 ZINC000807140872 1047415786 /nfs/dbraw/zinc/41/57/86/1047415786.db2.gz OXNHSLZRRBXMKZ-ZDUSSCGKSA-N 0 0 339.430 4.033 20 10 EICDRN CCCCN(C(=O)NCCc1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000841953552 1047425544 /nfs/dbraw/zinc/42/55/44/1047425544.db2.gz AGMOQFNHJXOSCY-QGZVFWFLSA-N 0 0 339.483 4.384 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000789769300 1047470217 /nfs/dbraw/zinc/47/02/17/1047470217.db2.gz NRNBUECTZRTECV-UHFFFAOYSA-N 0 0 336.140 4.406 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccc(F)cc1[O-] ZINC000796694405 1047480505 /nfs/dbraw/zinc/48/05/05/1047480505.db2.gz NAGHEAKFPVREQP-GOSISDBHSA-N 0 0 344.430 4.489 20 10 EICDRN Cc1cc(O)c(CNc2ccc(C(=O)NCC(C)C)cc2C)cc1C ZINC000789889380 1047481140 /nfs/dbraw/zinc/48/11/40/1047481140.db2.gz FZNVRILCWGYROH-UHFFFAOYSA-N 0 0 340.467 4.315 20 10 EICDRN COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)C1=CC(=O)CS1 ZINC000807679407 1047483284 /nfs/dbraw/zinc/48/32/84/1047483284.db2.gz HGHDQSIBOFEFPI-SWLSCSKDSA-N 0 0 331.437 4.076 20 10 EICDRN C=C/C(C)=C/CC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000789989231 1047498517 /nfs/dbraw/zinc/49/85/17/1047498517.db2.gz MQGDRDVYQMCWFH-WUXMJOGZSA-N 0 0 338.245 4.026 20 10 EICDRN O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1ccsc1 ZINC000790107206 1047514449 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ZINC000808029045 1047587934 /nfs/dbraw/zinc/58/79/34/1047587934.db2.gz VPSQRBDZXPBQMV-UHFFFAOYSA-N 0 0 348.899 4.205 20 10 EICDRN CCOc1ccc(O)c(CNc2ccc(C(F)(F)F)c(OC)c2)c1 ZINC000790484391 1047595603 /nfs/dbraw/zinc/59/56/03/1047595603.db2.gz ZWFDIZZJRWHVRL-UHFFFAOYSA-N 0 0 341.329 4.430 20 10 EICDRN CO[C@H]1CCOc2c(NCc3c(O)ccc(Cl)c3F)cccc21 ZINC000790487221 1047596454 /nfs/dbraw/zinc/59/64/54/1047596454.db2.gz WPCNEVIVVWFSPZ-HNNXBMFYSA-N 0 0 337.778 4.267 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1oc(SC)cc1C ZINC000824234961 1047847244 /nfs/dbraw/zinc/84/72/44/1047847244.db2.gz YPOUCKGPVUTPIA-UHFFFAOYSA-N 0 0 332.469 4.038 20 10 EICDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2CC2CCCC2)cc1 ZINC000824317923 1047853747 /nfs/dbraw/zinc/85/37/47/1047853747.db2.gz UZYRWAUTJHWTLH-MRXNPFEDSA-N 0 0 328.416 4.034 20 10 EICDRN CC[C@@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001136854653 1047855164 /nfs/dbraw/zinc/85/51/64/1047855164.db2.gz GCMFROQZFYXEKP-HIFRSBDPSA-N 0 0 328.456 4.267 20 10 EICDRN 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C[C@H](CN(C)C(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC001143680269 1048150683 /nfs/dbraw/zinc/15/06/83/1048150683.db2.gz ZMLNPYDREOHGCW-GFCCVEGCSA-N 0 0 341.432 4.188 20 10 EICDRN C[C@@H]1CCC[C@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000919915940 1048290069 /nfs/dbraw/zinc/29/00/69/1048290069.db2.gz JYQDLLGMTONLDZ-AEFFLSMTSA-N 0 0 343.515 4.253 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2cc(C)ccc2n1 ZINC000815131737 1048359377 /nfs/dbraw/zinc/35/93/77/1048359377.db2.gz KTNVYWKHXNWOIU-UHFFFAOYSA-N 0 0 347.462 4.272 20 10 EICDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000920059719 1048406301 /nfs/dbraw/zinc/40/63/01/1048406301.db2.gz OHQYBEAJVUTISL-DOTOQJQBSA-N 0 0 332.488 4.386 20 10 EICDRN CCCC(C)(C)C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001144109049 1048425244 /nfs/dbraw/zinc/42/52/44/1048425244.db2.gz BKUCRIGTMVJEKQ-ZKOWVJSDSA-N 0 0 325.416 4.432 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000809730258 1048481628 /nfs/dbraw/zinc/48/16/28/1048481628.db2.gz HFMYITOSNFIGRA-UHFFFAOYSA-N 0 0 337.250 4.474 20 10 EICDRN CCC[N@H+](CCc1ccccn1)Cc1cccc(Br)c1[O-] ZINC000809734734 1048485179 /nfs/dbraw/zinc/48/51/79/1048485179.db2.gz PGSKOPONOKPRPW-UHFFFAOYSA-N 0 0 349.272 4.004 20 10 EICDRN Cc1cc(C(=O)N(C)c2cn[nH]c2)c(C)n1-c1cccc(C(C)C)c1 ZINC000748000011 1048493206 /nfs/dbraw/zinc/49/32/06/1048493206.db2.gz XKADBWYHQFXROZ-UHFFFAOYSA-N 0 0 336.439 4.217 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000809775582 1048504761 /nfs/dbraw/zinc/50/47/61/1048504761.db2.gz DXWIILINSOHBNI-UHFFFAOYSA-N 0 0 343.279 4.324 20 10 EICDRN CC(C)n1ccc(C[C@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000809775855 1048507198 /nfs/dbraw/zinc/50/71/98/1048507198.db2.gz MBCHDTHQFYDFKH-NSHDSACASA-N 0 0 342.270 4.197 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C1CCOCC1 ZINC000815585846 1048522070 /nfs/dbraw/zinc/52/20/70/1048522070.db2.gz UKFIWHQWTBLXOG-NHYWBVRUSA-N 0 0 331.378 4.267 20 10 EICDRN C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815586043 1048523096 /nfs/dbraw/zinc/52/30/96/1048523096.db2.gz YDUCDRPCXNNWOF-NSHDSACASA-N 0 0 347.377 4.184 20 10 EICDRN Cc1cc(Br)c([O-])c(C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000809763913 1048523289 /nfs/dbraw/zinc/52/32/89/1048523289.db2.gz SLQOOXZOQWPGOG-UHFFFAOYSA-N 0 0 347.256 4.023 20 10 EICDRN Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815585521 1048523974 /nfs/dbraw/zinc/52/39/74/1048523974.db2.gz JYSKPLGQRXCFNU-MLGOLLRUSA-N 0 0 339.357 4.104 20 10 EICDRN C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815614273 1048540148 /nfs/dbraw/zinc/54/01/48/1048540148.db2.gz KYSZOLKWBMZLHL-GWCFXTLKSA-N 0 0 331.378 4.408 20 10 EICDRN C[C@H](Nc1ccc(F)c(NC(N)=O)c1)c1ccc2ccccc2c1O ZINC000815631959 1048555299 /nfs/dbraw/zinc/55/52/99/1048555299.db2.gz YCQCGGOIQLHNMN-NSHDSACASA-N 0 0 339.370 4.348 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc(F)cc1[O-] ZINC000815647679 1048574029 /nfs/dbraw/zinc/57/40/29/1048574029.db2.gz RCUKCPPATPBQGA-QWHCGFSZSA-N 0 0 343.377 4.268 20 10 EICDRN C[N@H+](CCc1cccs1)Cc1cc(Br)c(F)cc1[O-] ZINC001144299974 1048575589 /nfs/dbraw/zinc/57/55/89/1048575589.db2.gz NWVKEQQJELLZKL-UHFFFAOYSA-N 0 0 344.249 4.030 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(Cl)cc(OC)c1 ZINC000815797253 1048605669 /nfs/dbraw/zinc/60/56/69/1048605669.db2.gz INGFSSPLSXRIPS-UHFFFAOYSA-N 0 0 333.815 4.107 20 10 EICDRN Oc1ccc(Br)cc1CNc1ccc2ccncc2c1 ZINC001171175036 1048643618 /nfs/dbraw/zinc/64/36/18/1048643618.db2.gz GLZCWYDAPGUMBV-UHFFFAOYSA-N 0 0 329.197 4.315 20 10 EICDRN CCO[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000920293986 1048643494 /nfs/dbraw/zinc/64/34/94/1048643494.db2.gz JPKBSLHJWBBZOO-LJQANCHMSA-N 0 0 340.467 4.044 20 10 EICDRN CCN(CC)c1ccc(CNc2cccc3[nH]c(=O)oc32)cc1F ZINC000810161398 1048665785 /nfs/dbraw/zinc/66/57/85/1048665785.db2.gz KOMZRRMZPAFMNJ-UHFFFAOYSA-N 0 0 329.375 4.131 20 10 EICDRN COc1ccc(N(C)Cc2cc(-c3ccc(C)cc3)no2)cc1OC ZINC000920418621 1048670754 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CC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1cccc(Cl)c1[O-] ZINC000810247083 1048726551 /nfs/dbraw/zinc/72/65/51/1048726551.db2.gz SQJXWLWAVQCRLE-QRFRQXIXSA-N 0 0 345.870 4.253 20 10 EICDRN COC/C(C)=C/C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000845915203 1048754721 /nfs/dbraw/zinc/75/47/21/1048754721.db2.gz PAXHTXYEIGOYCF-HJUDDPQBSA-N 0 0 339.435 4.075 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C3=CCCC3)cc2)c1 ZINC000810347529 1048768584 /nfs/dbraw/zinc/76/85/84/1048768584.db2.gz GWUSFXWLDQQJGD-AWEZNQCLSA-N 0 0 337.419 4.459 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cccnc2Cl)cc1 ZINC000920928803 1048812261 /nfs/dbraw/zinc/81/22/61/1048812261.db2.gz NNWYUFFJOOXBGY-UHFFFAOYSA-N 0 0 346.862 4.245 20 10 EICDRN Cc1cccc(CNc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)c1O ZINC000846107626 1048812842 /nfs/dbraw/zinc/81/28/42/1048812842.db2.gz QTENIYFQIBUSJZ-GASCZTMLSA-N 0 0 344.430 4.065 20 10 EICDRN CSc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1C ZINC000846108089 1048813606 /nfs/dbraw/zinc/81/36/06/1048813606.db2.gz NDOAWULHALKTIS-UHFFFAOYSA-N 0 0 328.481 4.166 20 10 EICDRN Cc1nc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)sc1C ZINC000920940191 1048816171 /nfs/dbraw/zinc/81/61/71/1048816171.db2.gz YSSWLISUGREGGC-UHFFFAOYSA-N 0 0 346.500 4.268 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(Br)c1 ZINC000816543647 1048826978 /nfs/dbraw/zinc/82/69/78/1048826978.db2.gz IWPGPYUPHFISQQ-UHFFFAOYSA-N 0 0 344.611 4.237 20 10 EICDRN COc1cccc([C@@H](C)Nc2ccc(NC(=O)C(C)C)cc2)c1O ZINC000846157829 1048824377 /nfs/dbraw/zinc/82/43/77/1048824377.db2.gz GLZVLAQYYAYRSE-CYBMUJFWSA-N 0 0 328.412 4.168 20 10 EICDRN CCOCCOCc1cccc(N[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846160482 1048825548 /nfs/dbraw/zinc/82/55/48/1048825548.db2.gz XFGJPVPZSONXOO-HNNXBMFYSA-N 0 0 345.439 4.127 20 10 EICDRN COc1cccc([C@H](C)Nc2cccc(N3CCCCC3=O)c2)c1O ZINC000846160765 1048825583 /nfs/dbraw/zinc/82/55/83/1048825583.db2.gz YRHUQHKOJAHEJG-AWEZNQCLSA-N 0 0 340.423 4.091 20 10 EICDRN CC(C)OCc1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816531741 1048825720 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CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774204310 1051500088 /nfs/dbraw/zinc/50/00/88/1051500088.db2.gz SSLHDRHPNLNNSN-NWDGAFQWSA-N 0 0 334.287 4.394 20 10 EICDRN Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774183604 1051506701 /nfs/dbraw/zinc/50/67/01/1051506701.db2.gz NHDICFFBOMQVKY-DIFFPNOSSA-N 0 0 340.250 4.392 20 10 EICDRN CN(C)c1ccc(Nc2ccc(CCc3ccc(N)cc3)cc2)cn1 ZINC001175342920 1051512367 /nfs/dbraw/zinc/51/23/67/1051512367.db2.gz AZGXTHXSDAXMID-UHFFFAOYSA-N 0 0 332.451 4.259 20 10 EICDRN C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774245987 1051519609 /nfs/dbraw/zinc/51/96/09/1051519609.db2.gz WSKSMWYGTBAVCB-VFZGTOFNSA-N 0 0 344.213 4.222 20 10 EICDRN C[S@](=O)c1ccccc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001175311321 1051522615 /nfs/dbraw/zinc/52/26/15/1051522615.db2.gz NYUZYHUSEAMOMO-DEOSSOPVSA-N 0 0 336.460 4.341 20 10 EICDRN Cc1cc(NC(=O)N2CCCc3cc(O)c(O)cc3C2)ccc1Cl ZINC001191760370 1051525174 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CCOc1ccc(N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC001192412404 1051725386 /nfs/dbraw/zinc/72/53/86/1051725386.db2.gz HRNRIBKPBSXPBW-MRXNPFEDSA-N 0 0 328.431 4.108 20 10 EICDRN CC[C@@H](Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1O ZINC000775532778 1051750804 /nfs/dbraw/zinc/75/08/04/1051750804.db2.gz YIQVHZVZSSJWTI-GOSISDBHSA-N 0 0 346.858 4.445 20 10 EICDRN CC[C@@H](Nc1cnn(Cc2ccncc2)c1)c1cc(Cl)ccc1O ZINC000775542652 1051795578 /nfs/dbraw/zinc/79/55/78/1051795578.db2.gz QZXFRBYGTDQUQO-QGZVFWFLSA-N 0 0 342.830 4.249 20 10 EICDRN C[C@H]1CC(=O)N(C)c2ccc(NCc3ccc(Cl)cc3O)cc21 ZINC001183171491 1051799870 /nfs/dbraw/zinc/79/98/70/1051799870.db2.gz VEZKUINHOOTLEG-NSHDSACASA-N 0 0 330.815 4.128 20 10 EICDRN CCN(CC)c1ccc(CNc2cccc3c2OCC[C@@H]3O)cc1F ZINC000184063152 1051806131 /nfs/dbraw/zinc/80/61/31/1051806131.db2.gz ZNURPLMBWLPTPF-IBGZPJMESA-N 0 0 344.430 4.100 20 10 EICDRN Cc1cc(CNCc2nc(Cl)cs2)c(C)n1-c1ccccc1 ZINC001183279209 1051812779 /nfs/dbraw/zinc/81/27/79/1051812779.db2.gz 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EICDRN Cc1cc(C[NH2+][C@@H](C)c2cnc(C)nc2C)c(C)n1-c1ccccc1 ZINC000858541509 1054511491 /nfs/dbraw/zinc/51/14/91/1054511491.db2.gz ARCYROMALNIUTK-HNNXBMFYSA-N 0 0 334.467 4.352 20 10 EICDRN Cc1cc(C[NH2+][C@@H](C)c2cncnc2C)c(C)n1-c1cccc(C)c1 ZINC000858543088 1054512118 /nfs/dbraw/zinc/51/21/18/1054512118.db2.gz PYBQWQULVOVSKW-INIZCTEOSA-N 0 0 334.467 4.352 20 10 EICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(F)cc1Br ZINC000776044048 1054512416 /nfs/dbraw/zinc/51/24/16/1054512416.db2.gz ZKCHNXNUSVFFEM-UHFFFAOYSA-N 0 0 344.611 4.237 20 10 EICDRN CC[C@@H](Nc1ccc(COCCOC)cc1)c1ccc(C)cc1O ZINC000858550735 1054514192 /nfs/dbraw/zinc/51/41/92/1054514192.db2.gz SUIKGLFXCXOFDT-LJQANCHMSA-N 0 0 329.440 4.427 20 10 EICDRN COCc1ccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1OC ZINC000858567866 1054520631 /nfs/dbraw/zinc/52/06/31/1054520631.db2.gz LMYUXVFXAXMVLS-XHDPSFHLSA-N 0 0 331.387 4.347 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858582904 1054528200 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CN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000124862278 1054630637 /nfs/dbraw/zinc/63/06/37/1054630637.db2.gz OBIYXADUFLPBAW-UHFFFAOYSA-N 0 0 343.732 4.337 20 10 EICDRN C[C@H](c1ccccc1)N(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000874248091 1054641416 /nfs/dbraw/zinc/64/14/16/1054641416.db2.gz YAEOVVXEAVAYNO-CYBMUJFWSA-N 0 0 336.395 4.215 20 10 EICDRN CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874247892 1054642637 /nfs/dbraw/zinc/64/26/37/1054642637.db2.gz SOESOCISJDDXRX-KRWDZBQOSA-N 0 0 338.411 4.462 20 10 EICDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CC12CCC2 ZINC000874356744 1054650869 /nfs/dbraw/zinc/65/08/69/1054650869.db2.gz OSJXJSUWSRDPDD-KRWDZBQOSA-N 0 0 348.406 4.099 20 10 EICDRN C[C@@H](NC(=O)c1ccc(C(C)(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000794436497 1054652321 /nfs/dbraw/zinc/65/23/21/1054652321.db2.gz ZOTWTYPJUBTTFS-CYBMUJFWSA-N 0 0 332.394 4.355 20 10 EICDRN CCNC(=O)Nc1cccc(NCc2cc(Cl)c(C)cc2O)c1C ZINC000825726505 1054652787 /nfs/dbraw/zinc/65/27/87/1054652787.db2.gz 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N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccc(C2CC2)nc1 ZINC001201701975 1054882031 /nfs/dbraw/zinc/88/20/31/1054882031.db2.gz BQYRQBGOAGZUIE-XKCNPXHNSA-N 0 0 330.395 4.227 20 10 EICDRN CN(C)c1ccc(/C=C\CNc2cnccc2OC(C)(C)C)cc1 ZINC001201794638 1054906944 /nfs/dbraw/zinc/90/69/44/1054906944.db2.gz DZKFMIGRDJCGLU-SREVYHEPSA-N 0 0 325.456 4.450 20 10 EICDRN CCN(Cc1ccccc1O)C(=O)Nc1ccccc1Br ZINC001201975098 1054952433 /nfs/dbraw/zinc/95/24/33/1054952433.db2.gz UCVZEYJCXKEHLN-UHFFFAOYSA-N 0 0 349.228 4.209 20 10 EICDRN CC[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000825906032 1054954635 /nfs/dbraw/zinc/95/46/35/1054954635.db2.gz UGPVHWJEFSCTKH-QAPCUYQASA-N 0 0 327.424 4.340 20 10 EICDRN Cc1ccc(CNc2ccc(N3CCCC3=O)c(Cl)c2)c(O)c1 ZINC000876820970 1054964462 /nfs/dbraw/zinc/96/44/62/1054964462.db2.gz YBMATDNQWPBXIT-UHFFFAOYSA-N 0 0 330.815 4.093 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)cc1C ZINC000118816466 1055031159 /nfs/dbraw/zinc/03/11/59/1055031159.db2.gz FCWWHVVEGYZWCD-UHFFFAOYSA-N 0 0 328.412 4.153 20 10 EICDRN C[C@@H](c1cccc(O)c1)N(C)Cc1c(O)cccc1Br ZINC000862243390 1055034690 /nfs/dbraw/zinc/03/46/90/1055034690.db2.gz ZPZXHELZZOHFNY-NSHDSACASA-N 0 0 336.229 4.053 20 10 EICDRN C[C@H](CN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)(C)C ZINC000877425221 1055051849 /nfs/dbraw/zinc/05/18/49/1055051849.db2.gz CVPHCLIJWMUFCN-CYBMUJFWSA-N 0 0 345.512 4.070 20 10 EICDRN CC[C@H](C)[C@H](C)N(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000776245663 1055054938 /nfs/dbraw/zinc/05/49/38/1055054938.db2.gz IDXDMMKZLXIRLB-JYJNAYRXSA-N 0 0 331.504 4.422 20 10 EICDRN [O-]c1c(Cl)cccc1C[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000776252299 1055057180 /nfs/dbraw/zinc/05/71/80/1055057180.db2.gz BDNJUCHZEOOLHY-UHFFFAOYSA-N 0 0 331.843 4.275 20 10 EICDRN CCc1ccc(-c2noc([C@H](C)NCc3ccc(C)cc3O)n2)cc1 ZINC000877472662 1055057835 /nfs/dbraw/zinc/05/78/35/1055057835.db2.gz YQDLEMCDUFWKEC-AWEZNQCLSA-N 0 0 337.423 4.164 20 10 EICDRN Cc1cc(Cl)cc(CN[C@@H](c2nccs2)C(F)(F)F)c1O ZINC000862431372 1055063711 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CCCCSCCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001129974802 1046821168 /nfs/dbraw/zinc/82/11/68/1046821168.db2.gz SDLTWMZCCJBSDZ-MRXNPFEDSA-N 0 0 336.545 4.032 20 10 EICDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(Cl)cc1F ZINC001129973746 1046821313 /nfs/dbraw/zinc/82/13/13/1046821313.db2.gz LEYBMXUIIFCIHM-CYBMUJFWSA-N 0 0 348.849 4.215 20 10 EICDRN Cc1ccc([C@H](C)Nc2cccc(N3CCNC3=O)c2C)c(O)c1C ZINC000786985843 1046891692 /nfs/dbraw/zinc/89/16/92/1046891692.db2.gz PYXJCMBBVZONMS-HNNXBMFYSA-N 0 0 339.439 4.020 20 10 EICDRN CC(C)[C@H](N[C@H](C)c1ccc(Br)cc1O)C(F)(F)F ZINC000786984457 1046892139 /nfs/dbraw/zinc/89/21/39/1046892139.db2.gz YCUWHUABMOSGKA-PELKAZGASA-N 0 0 340.183 4.392 20 10 EICDRN CCN(C(=O)/C=C/c1cnccc1C)c1cccc(C(F)(F)F)c1 ZINC001130216418 1046899730 /nfs/dbraw/zinc/89/97/30/1046899730.db2.gz YHGHQZCGZRVVMY-BQYQJAHWSA-N 0 0 334.341 4.475 20 10 EICDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC001130216060 1046899839 /nfs/dbraw/zinc/89/98/39/1046899839.db2.gz SPCNQWJVEMZBPJ-VOTSOKGWSA-N 0 0 338.304 4.306 20 10 EICDRN Cc1ccc(SCCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000917524518 1046931120 /nfs/dbraw/zinc/93/11/20/1046931120.db2.gz GEUQKQXVQOMCCM-UHFFFAOYSA-N 0 0 342.508 4.202 20 10 EICDRN CC(C)c1cccc(NC(=S)NNc2ccccc2[N+](=O)[O-])c1 ZINC000917569481 1046973837 /nfs/dbraw/zinc/97/38/37/1046973837.db2.gz VZVCVKQSHRCHJL-UHFFFAOYSA-N 0 0 330.413 4.032 20 10 EICDRN CN(Cc1ccccc1O)C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000787425865 1047003908 /nfs/dbraw/zinc/00/39/08/1047003908.db2.gz NVJIZHVRBBCFSH-UHFFFAOYSA-N 0 0 340.810 4.313 20 10 EICDRN CCN(CC)c1ccc(CNC(=S)Nc2ccc(C)c(F)c2)cc1 ZINC000917576280 1047006004 /nfs/dbraw/zinc/00/60/04/1047006004.db2.gz PTCBSDWDHFTKJF-UHFFFAOYSA-N 0 0 345.487 4.467 20 10 EICDRN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)N(Cc1ccccc1O)C1CCCCC1 ZINC000787401227 1047006386 /nfs/dbraw/zinc/00/63/86/1047006386.db2.gz OPJPONGITNVTDT-DZFIZOCASA-N 0 0 328.456 4.035 20 10 EICDRN C[C@@H]1CCCC[C@@H]1NC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917594544 1047014651 /nfs/dbraw/zinc/01/46/51/1047014651.db2.gz BYROFNQBFCPFAR-BEFAXECRSA-N 0 0 345.556 4.170 20 10 EICDRN CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@H]2c2cccs2)c1O ZINC000805840920 1047030593 /nfs/dbraw/zinc/03/05/93/1047030593.db2.gz XWYJTHYWUTUFBO-QGZVFWFLSA-N 0 0 333.428 4.379 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cncc2ccccc21 ZINC000917647397 1047046996 /nfs/dbraw/zinc/04/69/96/1047046996.db2.gz IGBNAQFNEQPOSP-UHFFFAOYSA-N 0 0 347.462 4.352 20 10 EICDRN Oc1ccc(Cl)c(F)c1CNc1ccc(-c2ccccc2)nn1 ZINC000787787996 1047054026 /nfs/dbraw/zinc/05/40/26/1047054026.db2.gz IYOJCVFZBHQVGH-UHFFFAOYSA-N 0 0 329.762 4.254 20 10 EICDRN Cc1cc(F)c2c(c1)CCCN2C(=O)/C=C\c1cnc2ccccc2n1 ZINC000917690917 1047063274 /nfs/dbraw/zinc/06/32/74/1047063274.db2.gz TVSUPHHEUZRUQT-HJWRWDBZSA-N 0 0 347.393 4.070 20 10 EICDRN COCCCONC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000806101778 1047117213 /nfs/dbraw/zinc/11/72/13/1047117213.db2.gz QKOJIMKCUFJVFS-UHFFFAOYSA-N 0 0 328.372 4.192 20 10 EICDRN C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(F)cc1[O-] ZINC000788258041 1047142098 /nfs/dbraw/zinc/14/20/98/1047142098.db2.gz FCQJDNHCHIUNEO-NSHDSACASA-N 0 0 325.330 4.026 20 10 EICDRN C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1cc(F)cc(F)c1[O-] ZINC000788259668 1047147073 /nfs/dbraw/zinc/14/70/73/1047147073.db2.gz OKSPIQQFKVIYAB-SNVBAGLBSA-N 0 0 343.320 4.165 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806128401 1047152024 /nfs/dbraw/zinc/15/20/24/1047152024.db2.gz KJSPMEDYODWSHA-HZPDHXFCSA-N 0 0 340.250 4.473 20 10 EICDRN CC[C@H]([NH2+]Cc1cccnc1OC(C)C)c1cccc(Cl)c1[O-] ZINC000806130632 1047155409 /nfs/dbraw/zinc/15/54/09/1047155409.db2.gz ACJCXGRSYTXDAT-INIZCTEOSA-N 0 0 334.847 4.469 20 10 EICDRN CC[C@@H]([NH2+]CCc1cccc(OC)c1OC)c1cccc(Cl)c1[O-] ZINC000806131002 1047155889 /nfs/dbraw/zinc/15/58/89/1047155889.db2.gz GCFHPWDSMCQGJR-MRXNPFEDSA-N 0 0 349.858 4.346 20 10 EICDRN CC[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cccc(Cl)c1[O-] ZINC000806140177 1047165085 /nfs/dbraw/zinc/16/50/85/1047165085.db2.gz VMQZOTSFXYGJGL-KRWDZBQOSA-N 0 0 331.843 4.264 20 10 EICDRN CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144679 1047171716 /nfs/dbraw/zinc/17/17/16/1047171716.db2.gz YXSGJMMAGGBYIO-QMTHXVAHSA-N 0 0 328.243 4.025 20 10 EICDRN CC[C@@H]([NH2+][C@H](CO)c1sccc1C)c1cccc(Cl)c1[O-] ZINC000806148691 1047173320 /nfs/dbraw/zinc/17/33/20/1047173320.db2.gz WWDLFCAKOUWMCK-ZIAGYGMSSA-N 0 0 325.861 4.190 20 10 EICDRN CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806150517 1047176037 /nfs/dbraw/zinc/17/60/37/1047176037.db2.gz VBEYWGCYSPGOQT-JQWIXIFHSA-N 0 0 346.176 4.053 20 10 EICDRN CC[C@@H]([NH2+]CC(CC)(CC)C(=O)OC)c1cccc(Cl)c1[O-] ZINC000806158069 1047180124 /nfs/dbraw/zinc/18/01/24/1047180124.db2.gz DJUWTMDPFCFUPQ-CQSZACIVSA-N 0 0 327.852 4.066 20 10 EICDRN CC[C@@H](Nc1cnn(-c2ccccn2)c1)c1cccc(Cl)c1O ZINC000806156096 1047180708 /nfs/dbraw/zinc/18/07/08/1047180708.db2.gz XTTCDONVWPKYBJ-OAHLLOKOSA-N 0 0 328.803 4.190 20 10 EICDRN CC[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806162780 1047185325 /nfs/dbraw/zinc/18/53/25/1047185325.db2.gz FYKBPTYLJVXFAL-IUODEOHRSA-N 0 0 332.271 4.291 20 10 EICDRN CC[C@@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806162360 1047186434 /nfs/dbraw/zinc/18/64/34/1047186434.db2.gz VLFASTDLZGEKPJ-NEPJUHHUSA-N 0 0 325.758 4.054 20 10 EICDRN CC[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806164355 1047187964 /nfs/dbraw/zinc/18/79/64/1047187964.db2.gz QZCLPOYNQBROTE-QAPCUYQASA-N 0 0 333.859 4.080 20 10 EICDRN CC[C@H]([NH2+]C[C@@H](O)c1cc(C)cc(C)c1)c1cccc(Cl)c1[O-] ZINC000806164676 1047188044 /nfs/dbraw/zinc/18/80/44/1047188044.db2.gz ANNWSHRXPYSAHP-ZWKOTPCHSA-N 0 0 333.859 4.437 20 10 EICDRN CC[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(C)cc1O ZINC000806179778 1047202247 /nfs/dbraw/zinc/20/22/47/1047202247.db2.gz HKCIOBZLMQWBNS-QAPCUYQASA-N 0 0 333.859 4.171 20 10 EICDRN CCN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc2[nH]ccc2c1 ZINC000788546441 1047220651 /nfs/dbraw/zinc/22/06/51/1047220651.db2.gz DMWHASURFQZKJL-XBXARRHUSA-N 0 0 325.799 4.283 20 10 EICDRN CCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc2[nH]ccc2c1 ZINC000788546446 1047220690 /nfs/dbraw/zinc/22/06/90/1047220690.db2.gz DMWHASURFQZKJL-YWEYNIOJSA-N 0 0 325.799 4.283 20 10 EICDRN Cc1cc(C(=O)N(C)CCCCO)c(C)n1-c1cccc(C(C)C)c1 ZINC000788552500 1047222102 /nfs/dbraw/zinc/22/21/02/1047222102.db2.gz BKHIFIWKJAGNAB-UHFFFAOYSA-N 0 0 342.483 4.062 20 10 EICDRN C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC000788561651 1047224493 /nfs/dbraw/zinc/22/44/93/1047224493.db2.gz GSIUJLJJZOIPRH-RYUDHWBXSA-N 0 0 339.357 4.315 20 10 EICDRN CSC1(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CCC1 ZINC000788607497 1047231743 /nfs/dbraw/zinc/23/17/43/1047231743.db2.gz VBTWMGPOMSHXLY-SECBINFHSA-N 0 0 348.281 4.230 20 10 EICDRN CC[C@@H](C)n1ncc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1C ZINC000897551612 1047232975 /nfs/dbraw/zinc/23/29/75/1047232975.db2.gz DEPOPUZEGXZMLL-SECBINFHSA-N 0 0 345.424 4.041 20 10 EICDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(Cl)c(OC)c2)c1 ZINC000788610251 1047233903 /nfs/dbraw/zinc/23/39/03/1047233903.db2.gz HFIDIOCRTZYRGB-SNVBAGLBSA-N 0 0 335.787 4.014 20 10 EICDRN C[C@H]1c2ccccc2CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000746751916 1047237645 /nfs/dbraw/zinc/23/76/45/1047237645.db2.gz ZANXITNDAUYPQJ-INIZCTEOSA-N 0 0 335.451 4.073 20 10 EICDRN Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788602261 1047243180 /nfs/dbraw/zinc/24/31/80/1047243180.db2.gz APHVJBYYQOBMFG-IUCAKERBSA-N 0 0 328.334 4.428 20 10 EICDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc(C(F)(F)F)c1[O-] ZINC000788604029 1047245404 /nfs/dbraw/zinc/24/54/04/1047245404.db2.gz SMBAKPWVWKCFOQ-MEBBXXQBSA-N 0 0 345.386 4.031 20 10 EICDRN Cc1ccc2[nH]c(C[NH2+][C@@H](C)c3cccc(C(F)(F)F)c3[O-])nc2c1 ZINC000788606933 1047245627 /nfs/dbraw/zinc/24/56/27/1047245627.db2.gz BDRIOFBZQVXOFE-NSHDSACASA-N 0 0 349.356 4.447 20 10 EICDRN CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CCO1 ZINC000788646926 1047247090 /nfs/dbraw/zinc/24/70/90/1047247090.db2.gz FHKCVJOAAUMCJA-ZOWXZIJZSA-N 0 0 331.378 4.265 20 10 EICDRN Cc1ccnc(C)c1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000806538888 1047279384 /nfs/dbraw/zinc/27/93/84/1047279384.db2.gz YDHYUCMRPQZGGV-UHFFFAOYSA-N 0 0 340.471 4.207 20 10 EICDRN Cc1cc(C)c([C@@H](C)Nc2ccc(N3CCOC[C@H]3C)cc2)c(O)c1 ZINC000788729451 1047280679 /nfs/dbraw/zinc/28/06/79/1047280679.db2.gz KJNZOALMAJMPJZ-IAGOWNOFSA-N 0 0 340.467 4.407 20 10 EICDRN C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788741790 1047301451 /nfs/dbraw/zinc/30/14/51/1047301451.db2.gz VDZDXYBRKUOZGH-UPJWGTAASA-N 0 0 331.378 4.267 20 10 EICDRN C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788776495 1047312895 /nfs/dbraw/zinc/31/28/95/1047312895.db2.gz OVSFBXMURSHKKA-GXTWGEPZSA-N 0 0 342.405 4.079 20 10 EICDRN CCn1c2ccc(F)cc2nc1/C(Cl)=C\c1cn(C(C)C)nn1 ZINC000806572072 1047314495 /nfs/dbraw/zinc/31/44/95/1047314495.db2.gz VARUMVKAPKHWQU-MDWZMJQESA-N 0 0 333.798 4.105 20 10 EICDRN Cc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1F ZINC000760338244 1047331675 /nfs/dbraw/zinc/33/16/75/1047331675.db2.gz QJXBDHFVWKZKRH-UHFFFAOYSA-N 0 0 326.415 4.005 20 10 EICDRN O=C(/C=C\c1cnccn1)N(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000918168792 1047356744 /nfs/dbraw/zinc/35/67/44/1047356744.db2.gz MZGDWGXNNNZENG-FLIBITNWSA-N 0 0 349.821 4.377 20 10 EICDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(F)c1Cl ZINC000806771548 1047358324 /nfs/dbraw/zinc/35/83/24/1047358324.db2.gz FOKLFRIJCWAOTJ-UHFFFAOYSA-N 0 0 345.805 4.177 20 10 EICDRN CCCCS[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000918154290 1047360090 /nfs/dbraw/zinc/36/00/90/1047360090.db2.gz JDQYSQDHMKLHSK-INIZCTEOSA-N 0 0 336.545 4.411 20 10 EICDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(SC)n1 ZINC000806783339 1047361593 /nfs/dbraw/zinc/36/15/93/1047361593.db2.gz DLGWBNABBPQUFR-UHFFFAOYSA-N 0 0 345.468 4.343 20 10 EICDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1 ZINC000760458765 1047375855 /nfs/dbraw/zinc/37/58/55/1047375855.db2.gz RQUKUGGOQQHLAD-UHFFFAOYSA-N 0 0 348.349 4.138 20 10 EICDRN CC(C)n1ncnc1CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000789306336 1047398506 /nfs/dbraw/zinc/39/85/06/1047398506.db2.gz IHLATNPZHTUYEU-UHFFFAOYSA-N 0 0 336.439 4.074 20 10 EICDRN Oc1c(F)cc(Cl)cc1CN1CCC[C@H](O)c2cc(F)ccc21 ZINC000789573613 1047441442 /nfs/dbraw/zinc/44/14/42/1047441442.db2.gz MOCOSSPEHHNROB-INIZCTEOSA-N 0 0 339.769 4.158 20 10 EICDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001142512657 1047453197 /nfs/dbraw/zinc/45/31/97/1047453197.db2.gz HLRBLEGCHXRREJ-UHFFFAOYSA-N 0 0 329.390 4.150 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc(Cl)cc1 ZINC000789890225 1047480591 /nfs/dbraw/zinc/48/05/91/1047480591.db2.gz WFGHPFUUOOYHMC-UHFFFAOYSA-N 0 0 344.886 4.387 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000789918172 1047482972 /nfs/dbraw/zinc/48/29/72/1047482972.db2.gz FKAIXGGLXCFNTC-IPMKNSEASA-N 0 0 343.515 4.253 20 10 EICDRN O=C(c1c(F)ccc(O)c1O)N1Cc2ccccc2-c2ccccc2C1 ZINC000789974174 1047503185 /nfs/dbraw/zinc/50/31/85/1047503185.db2.gz OYOIBZGVVVQUSP-UHFFFAOYSA-N 0 0 349.361 4.060 20 10 EICDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])c1cncs1 ZINC000897929918 1047510842 /nfs/dbraw/zinc/51/08/42/1047510842.db2.gz DPUXLMWXFYSDAV-SSDOTTSWSA-N 0 0 347.665 4.115 20 10 EICDRN COc1ccc(/C=C2\SC(=S)N(c3ccsc3)C2=O)s1 ZINC000790111189 1047513641 /nfs/dbraw/zinc/51/36/41/1047513641.db2.gz QJQXSGMRUNWOCF-POHAHGRESA-N 0 0 339.488 4.224 20 10 EICDRN CCSCc1ccnc(NCc2c(O)ccc(Cl)c2F)c1 ZINC000790240499 1047540739 /nfs/dbraw/zinc/54/07/39/1047540739.db2.gz GTXXCPTTZGGPBN-UHFFFAOYSA-N 0 0 326.824 4.445 20 10 EICDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cnn(CC2CCC2)c1 ZINC000898181710 1047576695 /nfs/dbraw/zinc/57/66/95/1047576695.db2.gz MKQVLYBJCWYUQG-NSHDSACASA-N 0 0 337.826 4.032 20 10 EICDRN CCN(CC)c1ccc(CNc2cccc(N3CCC3=O)c2)cc1F ZINC000790486921 1047597455 /nfs/dbraw/zinc/59/74/55/1047597455.db2.gz QRALCJYYYGSWLJ-UHFFFAOYSA-N 0 0 341.430 4.021 20 10 EICDRN 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EICDRN C[C@H](CO)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1 ZINC000814772245 1048165843 /nfs/dbraw/zinc/16/58/43/1048165843.db2.gz RHKCJHMDAQMPHV-WBERELSBSA-N 0 0 349.502 4.233 20 10 EICDRN C[C@H](Nc1cccc(C(=O)OC(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000814877536 1048216705 /nfs/dbraw/zinc/21/67/05/1048216705.db2.gz ZRBCTOPIZIDVTD-AWEZNQCLSA-N 0 0 341.455 4.276 20 10 EICDRN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccn1C(C)C ZINC000815070853 1048319102 /nfs/dbraw/zinc/31/91/02/1048319102.db2.gz HOONEUIMMKOXJB-UHFFFAOYSA-N 0 0 341.499 4.494 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc3c2COC3=O)cc1 ZINC000809381960 1048334885 /nfs/dbraw/zinc/33/48/85/1048334885.db2.gz UWLUGGIKUMUHQM-UHFFFAOYSA-N 0 0 346.386 4.017 20 10 EICDRN Cc1cc(CN[C@H](c2cc(F)ccc2F)C(F)F)ccc1N(C)C ZINC000815101655 1048345049 /nfs/dbraw/zinc/34/50/49/1048345049.db2.gz ARDKKMDYGGPINE-QGZVFWFLSA-N 0 0 340.364 4.435 20 10 EICDRN Cc1cc(C(=O)NCC[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1 ZINC000919978935 1048353608 /nfs/dbraw/zinc/35/36/08/1048353608.db2.gz DHYOCEFAEVDEFD-QGZVFWFLSA-N 0 0 346.858 4.046 20 10 EICDRN C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809701478 1048467085 /nfs/dbraw/zinc/46/70/85/1048467085.db2.gz XWSHJZXDONPTGC-SMDDNHRTSA-N 0 0 332.271 4.215 20 10 EICDRN CC[C@H](CSC)[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000809767637 1048499340 /nfs/dbraw/zinc/49/93/40/1048499340.db2.gz PVDQBACFUBITNL-GFCCVEGCSA-N 0 0 332.307 4.037 20 10 EICDRN Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCCO1 ZINC000815565844 1048511466 /nfs/dbraw/zinc/51/14/66/1048511466.db2.gz BOOHTNFAGVPBBW-ICSRJNTNSA-N 0 0 325.452 4.225 20 10 EICDRN CCc1cnc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000815584415 1048522610 /nfs/dbraw/zinc/52/26/10/1048522610.db2.gz CNDIKCUTLXVTIU-SNVBAGLBSA-N 0 0 344.402 4.323 20 10 EICDRN C[C@H]([NH2+]CCOCc1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815585741 1048523897 /nfs/dbraw/zinc/52/38/97/1048523897.db2.gz QUBMGOXRIASQBB-ZDUSSCGKSA-N 0 0 339.357 4.278 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(C(F)(F)F)c1[O-] ZINC000815589291 1048524669 /nfs/dbraw/zinc/52/46/69/1048524669.db2.gz ODSXCBUDGWNSQJ-QMGNLALYSA-N 0 0 329.362 4.019 20 10 EICDRN CC[N@H+](Cc1cccc(Br)c1[O-])[C@H](C)c1cccnc1 ZINC000809764737 1048524852 /nfs/dbraw/zinc/52/48/52/1048524852.db2.gz HLWLVTOQANOJMO-GFCCVEGCSA-N 0 0 335.245 4.133 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(F)cc(N(C)C)c1 ZINC000844822967 1048527250 /nfs/dbraw/zinc/52/72/50/1048527250.db2.gz AZYBCVPOSFCZKX-UHFFFAOYSA-N 0 0 345.418 4.041 20 10 EICDRN CC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccccc1OC ZINC000844887287 1048536867 /nfs/dbraw/zinc/53/68/67/1048536867.db2.gz XYRIFRWPLUQRAI-OAHLLOKOSA-N 0 0 348.830 4.005 20 10 EICDRN Cc1cc(C)c([C@H](C)Nc2cc(N3CCCC3=O)ccc2F)c(O)c1 ZINC000815608941 1048538629 /nfs/dbraw/zinc/53/86/29/1048538629.db2.gz RQAZLKNGMFALQR-AWEZNQCLSA-N 0 0 342.414 4.448 20 10 EICDRN Cc1cc(C)c([C@@H](C)Nc2ccc3oc(N(C)C)nc3c2)c(O)c1 ZINC000815613375 1048541044 /nfs/dbraw/zinc/54/10/44/1048541044.db2.gz LPOJWLIHKKTZGI-CYBMUJFWSA-N 0 0 325.412 4.389 20 10 EICDRN Cc1cc(C)c([C@@H](C)Nc2ccc(N3CCOCC3)c(C)c2)c(O)c1 ZINC000815615128 1048542933 /nfs/dbraw/zinc/54/29/33/1048542933.db2.gz JAMGTZUSRGWYQL-QGZVFWFLSA-N 0 0 340.467 4.327 20 10 EICDRN C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815628006 1048550148 /nfs/dbraw/zinc/55/01/48/1048550148.db2.gz OYKQJHCPVHDWSA-LLVKDONJSA-N 0 0 349.356 4.149 20 10 EICDRN C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1cccc(C(F)(F)F)c1[O-] ZINC000815625998 1048552118 /nfs/dbraw/zinc/55/21/18/1048552118.db2.gz RUTRUOUNARVPKR-IUCAKERBSA-N 0 0 346.299 4.496 20 10 EICDRN COCCOCc1cccc(N[C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815603035 1048555803 /nfs/dbraw/zinc/55/58/03/1048555803.db2.gz RPNUGWLLBGGLRM-INIZCTEOSA-N 0 0 329.440 4.345 20 10 EICDRN Cc1cc(Cl)cc([C@H](C)Nc2ccc(F)c(NC(N)=O)c2)c1O ZINC000815631956 1048556395 /nfs/dbraw/zinc/55/63/95/1048556395.db2.gz YAKWMPOUSREDET-VIFPVBQESA-N 0 0 337.782 4.157 20 10 EICDRN COc1cc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])ccc1Cl ZINC000815658122 1048561800 /nfs/dbraw/zinc/56/18/00/1048561800.db2.gz UASOOHVLENIMGH-SNVBAGLBSA-N 0 0 341.785 4.226 20 10 EICDRN CSc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(F)cc2[O-])N(C)C)cc1 ZINC000815659465 1048562087 /nfs/dbraw/zinc/56/20/87/1048562087.db2.gz CFYMENPBALFVQC-UGSOOPFHSA-N 0 0 348.487 4.207 20 10 EICDRN CCOC1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CCCC1 ZINC000815644552 1048567722 /nfs/dbraw/zinc/56/77/22/1048567722.db2.gz FSFOAJVDNCDBCW-LBPRGKRZSA-N 0 0 331.378 4.411 20 10 EICDRN C[N@H+](Cc1cccc(F)c1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298533 1048574133 /nfs/dbraw/zinc/57/41/33/1048574133.db2.gz FTIWPOZSNKVZIP-UHFFFAOYSA-N 0 0 342.183 4.065 20 10 EICDRN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC001144299672 1048575243 /nfs/dbraw/zinc/57/52/43/1048575243.db2.gz FWNNBTLKTLDYCB-UHFFFAOYSA-N 0 0 328.225 4.060 20 10 EICDRN CC1(C)C[C@]1(C(=O)NCCCSc1nccs1)c1ccccc1 ZINC001144322755 1048591029 /nfs/dbraw/zinc/59/10/29/1048591029.db2.gz YWWGHHCJOZIMEF-GOSISDBHSA-N 0 0 346.521 4.109 20 10 EICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845117787 1048598986 /nfs/dbraw/zinc/59/89/86/1048598986.db2.gz WYOUVGZWRJMPPD-VQTJNVASSA-N 0 0 326.484 4.072 20 10 EICDRN CN(C)c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000810000211 1048600040 /nfs/dbraw/zinc/60/00/40/1048600040.db2.gz FGTKVPOCWCCIJR-UHFFFAOYSA-N 0 0 329.787 4.035 20 10 EICDRN Cc1cc(CCNC(=O)c2cc(C)cc(C)n2)c(C)n1-c1ccccc1 ZINC001132011319 1048600359 /nfs/dbraw/zinc/60/03/59/1048600359.db2.gz KPNBLZCVGPJQIQ-UHFFFAOYSA-N 0 0 347.462 4.078 20 10 EICDRN CN(C)c1ccc(OCc2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000810000706 1048600483 /nfs/dbraw/zinc/60/04/83/1048600483.db2.gz KVBABDGQOHDLNY-UHFFFAOYSA-N 0 0 329.787 4.035 20 10 EICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]3C(C)(C)C)ccc21 ZINC001135206904 1048606156 /nfs/dbraw/zinc/60/61/56/1048606156.db2.gz MFWUAXVXGONAHG-IBGZPJMESA-N 0 0 342.483 4.165 20 10 EICDRN COc1ccc(N(C)Cc2ccccc2Br)cc1OC ZINC000920418323 1048671175 /nfs/dbraw/zinc/67/11/75/1048671175.db2.gz JYLMIWWUIZXGFM-UHFFFAOYSA-N 0 0 336.229 4.103 20 10 EICDRN CCCCN(CC)C(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001135338586 1048671295 /nfs/dbraw/zinc/67/12/95/1048671295.db2.gz LPAQOQMGMHVOEI-UHFFFAOYSA-N 0 0 326.440 4.169 20 10 EICDRN Cc1ccc(CCC(=O)NCc2ccc(N3CCCCC3)cc2)s1 ZINC000810245652 1048727783 /nfs/dbraw/zinc/72/77/83/1048727783.db2.gz GAAZHAHPTQOPLH-UHFFFAOYSA-N 0 0 342.508 4.296 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)Cc1cccc(Cl)c1F ZINC000810305764 1048757338 /nfs/dbraw/zinc/75/73/38/1048757338.db2.gz SFDDPJOAURYJRP-UHFFFAOYSA-N 0 0 335.806 4.166 20 10 EICDRN COc1ccccc1[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816514822 1048822396 /nfs/dbraw/zinc/82/23/96/1048822396.db2.gz IFQZPNOCUXHVFL-LBPRGKRZSA-N 0 0 335.806 4.183 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000816531333 1048823924 /nfs/dbraw/zinc/82/39/24/1048823924.db2.gz OCNIYHKCWSFHAV-UHFFFAOYSA-N 0 0 349.711 4.373 20 10 EICDRN COc1cccc([C@H](C)Nc2ccc(N3CCCC3)cc2C)c1O ZINC000846157230 1048824354 /nfs/dbraw/zinc/82/43/54/1048824354.db2.gz BPWQOMVDQFMDST-HNNXBMFYSA-N 0 0 326.440 4.483 20 10 EICDRN CC(C)COC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccco1 ZINC000816544465 1048826421 /nfs/dbraw/zinc/82/64/21/1048826421.db2.gz JLTZEMUQVDJZBW-HNNXBMFYSA-N 0 0 341.810 4.281 20 10 EICDRN CC(C)(C)c1csc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000816547897 1048828671 /nfs/dbraw/zinc/82/86/71/1048828671.db2.gz NHPGTZVSYUGPPP-UHFFFAOYSA-N 0 0 342.867 4.271 20 10 EICDRN CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548862 1048828951 /nfs/dbraw/zinc/82/89/51/1048828951.db2.gz VMRXKHJQDAYELS-INIZCTEOSA-N 0 0 335.806 4.361 20 10 EICDRN CCn1cnnc1-c1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816525221 1048830048 /nfs/dbraw/zinc/83/00/48/1048830048.db2.gz KVZVQUMBXMEYFS-UHFFFAOYSA-N 0 0 344.418 4.436 20 10 EICDRN CC[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000846210801 1048833425 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Cc1cc(C[NH+]2CCC(CCC(=O)[O-])CC2)ccc1N1CCCCC1 ZINC000846225234 1048844210 /nfs/dbraw/zinc/84/42/10/1048844210.db2.gz LJNJFGCMZWKLFJ-UHFFFAOYSA-N 0 0 344.499 4.062 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000816631002 1048846003 /nfs/dbraw/zinc/84/60/03/1048846003.db2.gz AZXQTRSMLYUPHA-GOSISDBHSA-N 0 0 349.833 4.178 20 10 EICDRN CCN(Cc1cc(Cl)nc(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000921061840 1048846246 /nfs/dbraw/zinc/84/62/46/1048846246.db2.gz ONDPBNPSZDRNBU-UHFFFAOYSA-N 0 0 341.238 4.432 20 10 EICDRN Cc1cc(Cl)cc(CN2Cc3cnn(-c4ccccc4)c3C2)c1O ZINC000816668639 1048853427 /nfs/dbraw/zinc/85/34/27/1048853427.db2.gz UHBTXXXOCPFLSK-UHFFFAOYSA-N 0 0 339.826 4.056 20 10 EICDRN Cc1cc(C(=O)NC/C=C\c2cccnc2)c(C)n1-c1ccccc1C ZINC000816738701 1048855310 /nfs/dbraw/zinc/85/53/10/1048855310.db2.gz KNRMDIQIGMKMSG-YFHOEESVSA-N 0 0 345.446 4.241 20 10 EICDRN Nc1ccc(NC(=O)N2CCCC[C@H]2Cc2ccccc2F)cc1 ZINC000846311262 1048856253 /nfs/dbraw/zinc/85/62/53/1048856253.db2.gz 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CC[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955159 1049066047 /nfs/dbraw/zinc/06/60/47/1049066047.db2.gz RNTJQZVMYDGETB-CABCVRRESA-N 0 0 339.266 4.440 20 10 EICDRN CCC(CC)(CC)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817952491 1049067725 /nfs/dbraw/zinc/06/77/25/1049067725.db2.gz RCWPDIKJIPCIQG-UHFFFAOYSA-N 0 0 331.485 4.015 20 10 EICDRN C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(F)cc1[O-] ZINC000817975047 1049075625 /nfs/dbraw/zinc/07/56/25/1049075625.db2.gz HZUVISYJQACGEU-ZBEGNZNMSA-N 0 0 330.403 4.067 20 10 EICDRN COc1ccc(N(C)Cc2cscc2C(F)(F)F)cc1OC ZINC000811489231 1049084145 /nfs/dbraw/zinc/08/41/45/1049084145.db2.gz ASFZUDBSPADIOA-UHFFFAOYSA-N 0 0 331.359 4.421 20 10 EICDRN COc1cc(O)c(CN2CC[C@H](C)Sc3ccccc32)cc1OC ZINC000811502565 1049117161 /nfs/dbraw/zinc/11/71/61/1049117161.db2.gz AQCUDIMBPKIQKA-ZDUSSCGKSA-N 0 0 345.464 4.300 20 10 EICDRN CCC1(CC)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001147335729 1049127016 /nfs/dbraw/zinc/12/70/16/1049127016.db2.gz INYFIOCLQFRVDX-UHFFFAOYSA-N 0 0 333.453 4.355 20 10 EICDRN CC[C@H](Nc1ccc(COCCO)cc1)c1cc(Cl)ccc1O ZINC000818362523 1049148380 /nfs/dbraw/zinc/14/83/80/1049148380.db2.gz WICONKQNSRFKRO-KRWDZBQOSA-N 0 0 335.831 4.118 20 10 EICDRN CCC(CC)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)C(=O)[O-] ZINC000818631343 1049193486 /nfs/dbraw/zinc/19/34/86/1049193486.db2.gz FVQVMBPKPAMDOJ-UHFFFAOYSA-N 0 0 327.424 4.040 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cc(C)ccc1O ZINC001147956528 1049248223 /nfs/dbraw/zinc/24/82/23/1049248223.db2.gz DYBWZNXNIZYUIJ-UHFFFAOYSA-N 0 0 340.448 4.100 20 10 EICDRN CC1(C)CCC(C)(C)N(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001148023109 1049252939 /nfs/dbraw/zinc/25/29/39/1049252939.db2.gz GLHIBOKFEPSJSV-UHFFFAOYSA-N 0 0 333.453 4.353 20 10 EICDRN Cc1cc(C(=O)NCCC(C)(C)C2CC2)c(C)n1-c1ccccn1 ZINC000819155523 1049266127 /nfs/dbraw/zinc/26/61/27/1049266127.db2.gz GVYQWUNUKBSJJJ-UHFFFAOYSA-N 0 0 325.456 4.045 20 10 EICDRN Cc1ccc(C2(C(=O)NCc3ccc(N4CCCC4)cc3)CCC2)cc1 ZINC001136189770 1049266994 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C[C@H](NC(=O)CCCCC(=O)c1ccccc1)c1ccccc1O ZINC000827978301 1049449747 /nfs/dbraw/zinc/44/97/47/1049449747.db2.gz OTHKHDIDRJINOM-HNNXBMFYSA-N 0 0 325.408 4.013 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282796709 1049480047 /nfs/dbraw/zinc/48/00/47/1049480047.db2.gz WXEVMZOTBPGNGH-AWEZNQCLSA-N 0 0 330.255 4.138 20 10 EICDRN CC[C@H](C)[C@@H](C)N(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000175557786 1049507517 /nfs/dbraw/zinc/50/75/17/1049507517.db2.gz VZHQIGQRUGEBRT-DLBZAZTESA-N 0 0 341.499 4.171 20 10 EICDRN C[C@H](CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000773012267 1049526101 /nfs/dbraw/zinc/52/61/01/1049526101.db2.gz GQFLIIDDJLCKLH-HUUCEWRRSA-N 0 0 328.431 4.263 20 10 EICDRN C[C@@H](CSc1ccccc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773012206 1049527637 /nfs/dbraw/zinc/52/76/37/1049527637.db2.gz WPIOBQSVDANLPQ-JKSUJKDBSA-N 0 0 342.508 4.358 20 10 EICDRN C[C@@H](NC(=O)[C@H]1CCc2c1cccc2Cl)c1ccc(N(C)C)cc1 ZINC000773017234 1049529637 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CCSCc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000774939397 1050168493 /nfs/dbraw/zinc/16/84/93/1050168493.db2.gz UFUQVDIIESIMEC-UHFFFAOYSA-N 0 0 348.424 4.174 20 10 EICDRN Cc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773631161 1050174017 /nfs/dbraw/zinc/17/40/17/1050174017.db2.gz WTGVZXZTFKRCPA-AWEZNQCLSA-N 0 0 331.485 4.025 20 10 EICDRN Oc1ccccc1CN(Cc1ccco1)c1nc2cccc(F)c2o1 ZINC001185948950 1050190558 /nfs/dbraw/zinc/19/05/58/1050190558.db2.gz LBEATQHJZAIYBB-UHFFFAOYSA-N 0 0 338.338 4.472 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)CCc1ccccc1 ZINC001186021023 1050216301 /nfs/dbraw/zinc/21/63/01/1050216301.db2.gz LVDIGEZMNQMXQN-GOSISDBHSA-N 0 0 338.495 4.370 20 10 EICDRN Cc1cc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)no1 ZINC000181585264 1050232344 /nfs/dbraw/zinc/23/23/44/1050232344.db2.gz VHYGKXZVZOGVAW-HNNXBMFYSA-N 0 0 336.391 4.092 20 10 EICDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3ccncc3F)n2)cc1 ZINC001212699459 1050263356 /nfs/dbraw/zinc/26/33/56/1050263356.db2.gz 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C[C@@]1(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1(F)F ZINC001187072209 1050471612 /nfs/dbraw/zinc/47/16/12/1050471612.db2.gz DABCKUGJALKMRG-KRWDZBQOSA-N 0 0 346.333 4.283 20 10 EICDRN Cc1c2ccccc2n(C)c1CNc1cn(C)nc1-c1ccccc1 ZINC001178469295 1050476781 /nfs/dbraw/zinc/47/67/81/1050476781.db2.gz MIWLDNRYYSZXRB-UHFFFAOYSA-N 0 0 330.435 4.499 20 10 EICDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cccnc1C1CC1 ZINC001212735970 1050479902 /nfs/dbraw/zinc/47/99/02/1050479902.db2.gz BDTVLJPOSLWAPE-GEQPAYBISA-N 0 0 330.395 4.227 20 10 EICDRN CCN(C)c1ccc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000773765489 1050535184 /nfs/dbraw/zinc/53/51/84/1050535184.db2.gz LOSXWIHBHVJKCX-BEFAXECRSA-N 0 0 330.497 4.166 20 10 EICDRN COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC001178932294 1050583650 /nfs/dbraw/zinc/58/36/50/1050583650.db2.gz YMIBKMRDPNYWJD-SNVBAGLBSA-N 0 0 341.785 4.053 20 10 EICDRN Cc1c(NCc2cc(C)cc(Br)c2O)n[nH]c1C(C)C ZINC001179025162 1050603006 /nfs/dbraw/zinc/60/30/06/1050603006.db2.gz 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/nfs/dbraw/zinc/64/21/07/1050642107.db2.gz YNMRXVDFFRMFIG-UKLSTIIHSA-N 0 0 337.358 4.102 20 10 EICDRN CN(C)C(=O)c1ccc(Nc2ccc(Cc3ccc(N)cc3)cc2)cc1 ZINC001174008220 1050679183 /nfs/dbraw/zinc/67/91/83/1050679183.db2.gz UVFZPVKCGUJVAD-UHFFFAOYSA-N 0 0 345.446 4.305 20 10 EICDRN CC(=O)Nc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1 ZINC001173977228 1050686370 /nfs/dbraw/zinc/68/63/70/1050686370.db2.gz PMPBOSWZYVSNCS-UHFFFAOYSA-N 0 0 332.407 4.279 20 10 EICDRN Nc1ccc(-c2ccc(Nc3ccnc4ccccc43)c(O)c2)cc1O ZINC001174039703 1050717345 /nfs/dbraw/zinc/71/73/45/1050717345.db2.gz YFCURUYKBWLIPY-UHFFFAOYSA-N 0 0 343.386 4.061 20 10 EICDRN CCC[C@H](O)CCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001179582843 1050732886 /nfs/dbraw/zinc/73/28/86/1050732886.db2.gz DZVHHCFRHDKDQI-KRWDZBQOSA-N 0 0 348.874 4.028 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)Nc2cccc(Cl)c2F)cc1 ZINC001188403188 1050772208 /nfs/dbraw/zinc/77/22/08/1050772208.db2.gz HPLMUFIYWUCCOV-UHFFFAOYSA-N 0 0 335.810 4.209 20 10 EICDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H]1C[C@H]1C1CCCC1 ZINC001179815992 1050785934 /nfs/dbraw/zinc/78/59/34/1050785934.db2.gz JNPSBEXKNXWMCT-FZMZJTMJSA-N 0 0 342.252 4.210 20 10 EICDRN CCN(C)c1ccc(CN[C@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000773834889 1050798690 /nfs/dbraw/zinc/79/86/90/1050798690.db2.gz CKDXDHMMIZTGBL-OAHLLOKOSA-N 0 0 342.487 4.424 20 10 EICDRN COc1cccc(O)c1CN1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000775207203 1050862298 /nfs/dbraw/zinc/86/22/98/1050862298.db2.gz SACOKXZJCBXFCJ-UHFFFAOYSA-N 0 0 342.826 4.025 20 10 EICDRN Cc1ccc(C)c(OC2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC001180039379 1050862706 /nfs/dbraw/zinc/86/27/06/1050862706.db2.gz VNINWNRCMFENLI-UHFFFAOYSA-N 0 0 329.415 4.192 20 10 EICDRN CC(C)(C)c1cnc(SCC(=O)NCC2CCCCC2)s1 ZINC001188939018 1050868127 /nfs/dbraw/zinc/86/81/27/1050868127.db2.gz AGLLTZLGRZIJHN-UHFFFAOYSA-N 0 0 326.531 4.229 20 10 EICDRN Cc1ccc2[nH]cc(CN(C)C(=O)/C=C/c3ccc(N(C)C)cc3)c2c1 ZINC001180126549 1050892565 /nfs/dbraw/zinc/89/25/65/1050892565.db2.gz 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CCc1nc(C(C)C)ccc1C(=O)NCc1cccc(Cl)c1O ZINC001180410100 1050992061 /nfs/dbraw/zinc/99/20/61/1050992061.db2.gz JTVXRMMKLPAYOK-UHFFFAOYSA-N 0 0 332.831 4.056 20 10 EICDRN O=C(Nc1cccc(O)c1O)Nc1c(Cl)cccc1C(F)(F)F ZINC001189478176 1050992673 /nfs/dbraw/zinc/99/26/73/1050992673.db2.gz XBDSSWFQVSVASQ-UHFFFAOYSA-N 0 0 346.692 4.414 20 10 EICDRN Cc1cc(O)c(CN[C@H](CC(C)C)C(=O)OC(C)(C)C)cc1Cl ZINC001180469414 1051009724 /nfs/dbraw/zinc/00/97/24/1051009724.db2.gz JBKZUYBOPRZKSN-OAHLLOKOSA-N 0 0 341.879 4.200 20 10 EICDRN COc1ccc(N(c2cnn(CC3CC3)c2)c2ccc(N)cc2)cc1 ZINC001174469730 1051013679 /nfs/dbraw/zinc/01/36/79/1051013679.db2.gz MJDUEDYQVIEWSB-UHFFFAOYSA-N 0 0 334.423 4.354 20 10 EICDRN COc1ccc(C(=O)c2ccccc2Nc2cnn(CC3CC3)c2)cc1 ZINC001174471678 1051014951 /nfs/dbraw/zinc/01/49/51/1051014951.db2.gz BKADONKMLCRDLB-UHFFFAOYSA-N 0 0 347.418 4.276 20 10 EICDRN CNC(=O)c1ccc(Nc2cccc3c2C(=O)c2ccccc2-3)cc1 ZINC001174515460 1051047166 /nfs/dbraw/zinc/04/71/66/1051047166.db2.gz VYCKEEISDWBJNP-UHFFFAOYSA-N 0 0 328.371 4.001 20 10 EICDRN COc1ccc(C)cc1NCc1cccc(Br)c1OC ZINC000775312541 1051063524 /nfs/dbraw/zinc/06/35/24/1051063524.db2.gz NNLMYCVDPNLMRY-UHFFFAOYSA-N 0 0 336.229 4.387 20 10 EICDRN COc1cc(N(Cc2ccccc2)c2ccc(N)cc2)cnc1OC ZINC001174547288 1051079983 /nfs/dbraw/zinc/07/99/83/1051079983.db2.gz CUMNOVGRKDWFMR-UHFFFAOYSA-N 0 0 335.407 4.019 20 10 EICDRN CCC[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000773885218 1051096872 /nfs/dbraw/zinc/09/68/72/1051096872.db2.gz QIRXPGZDXQLXON-IBGZPJMESA-N 0 0 339.483 4.080 20 10 EICDRN Nc1ccc(Cc2ccccc2Nc2cnn([C@@H]3CCCCO3)c2)cc1 ZINC001174605891 1051106892 /nfs/dbraw/zinc/10/68/92/1051106892.db2.gz VKJSTJPTZDCYIQ-NRFANRHFSA-N 0 0 348.450 4.499 20 10 EICDRN Cc1cncc(Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)c1 ZINC001174762274 1051162568 /nfs/dbraw/zinc/16/25/68/1051162568.db2.gz ABYBDKAOWGMLOW-UHFFFAOYSA-N 0 0 333.395 4.360 20 10 EICDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1nc(C(F)F)nc2ccccc21 ZINC000183597895 1051179053 /nfs/dbraw/zinc/17/90/53/1051179053.db2.gz 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1051327319 /nfs/dbraw/zinc/32/73/19/1051327319.db2.gz IULKDKZPSNEVAR-AWEZNQCLSA-N 0 0 340.250 4.219 20 10 EICDRN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001175039110 1051332356 /nfs/dbraw/zinc/33/23/56/1051332356.db2.gz VGAQBZPOAPYEID-OAHLLOKOSA-N 0 0 338.451 4.313 20 10 EICDRN O=C(c1cc(C(F)(F)F)ccc1Cl)N1Cc2cccc(O)c2C1 ZINC001175039499 1051332878 /nfs/dbraw/zinc/33/28/78/1051332878.db2.gz YYQNJXDXPMHHHY-UHFFFAOYSA-N 0 0 341.716 4.220 20 10 EICDRN C[C@H](NC(=O)Nc1cccc2cccnc21)c1ccc(N(C)C)cc1 ZINC000775432382 1051344946 /nfs/dbraw/zinc/34/49/46/1051344946.db2.gz CATNXHOGXRAJLB-AWEZNQCLSA-N 0 0 334.423 4.184 20 10 EICDRN C[C@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000773991510 1051416196 /nfs/dbraw/zinc/41/61/96/1051416196.db2.gz ZABJVPBMMKDRMU-INIZCTEOSA-N 0 0 345.446 4.306 20 10 EICDRN CCc1nc2ccccc2c(C(=O)N(C)Cc2ccccc2O)c1C ZINC000774042918 1051426862 /nfs/dbraw/zinc/42/68/62/1051426862.db2.gz GAJMPGDRCZCYCF-UHFFFAOYSA-N 0 0 334.419 4.083 20 10 EICDRN CC(C)n1ccc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000774203210 1051499706 /nfs/dbraw/zinc/49/97/06/1051499706.db2.gz STYCHZLKQZKNDD-SNVBAGLBSA-N 0 0 328.243 4.327 20 10 EICDRN C[S@](=O)c1ccccc1Nc1ccccc1C(=O)c1ccccc1 ZINC001175303434 1051518143 /nfs/dbraw/zinc/51/81/43/1051518143.db2.gz DJHZPDNPJFSZLZ-DEOSSOPVSA-N 0 0 335.428 4.399 20 10 EICDRN C[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000774250503 1051522407 /nfs/dbraw/zinc/52/24/07/1051522407.db2.gz NPOMLKRATGRPJZ-NSHDSACASA-N 0 0 335.423 4.078 20 10 EICDRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000774253863 1051527450 /nfs/dbraw/zinc/52/74/50/1051527450.db2.gz GGIFYRLBBVXUDY-OAHLLOKOSA-N 0 0 327.497 4.417 20 10 EICDRN C[C@@H](NC(=S)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000774257372 1051530943 /nfs/dbraw/zinc/53/09/43/1051530943.db2.gz PVFBVZIQBZJCOQ-HUUCEWRRSA-N 0 0 327.497 4.039 20 10 EICDRN Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])c1 ZINC000774256108 1051531502 /nfs/dbraw/zinc/53/15/02/1051531502.db2.gz DZYYTZMDARAPMY-PIGZYNQJSA-N 0 0 340.250 4.392 20 10 EICDRN Cc1cccc(NCC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000774260965 1051532231 /nfs/dbraw/zinc/53/22/31/1051532231.db2.gz UKXUPOMRCQVBSH-LLVKDONJSA-N 0 0 340.254 4.165 20 10 EICDRN Cc1cnccc1CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774266881 1051535266 /nfs/dbraw/zinc/53/52/66/1051535266.db2.gz SALVLRLHDUZRNA-LLVKDONJSA-N 0 0 325.239 4.296 20 10 EICDRN CO[C@@H](CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])C(F)(F)F ZINC000774376051 1051566457 /nfs/dbraw/zinc/56/64/57/1051566457.db2.gz XAHFNWOJLPUKEE-KRTXAFLBSA-N 0 0 346.176 4.317 20 10 EICDRN C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000774380755 1051569502 /nfs/dbraw/zinc/56/95/02/1051569502.db2.gz SFJREKWESGVEID-YPMHNXCESA-N 0 0 343.298 4.367 20 10 EICDRN COc1ccc(N(c2ccc(N)cc2)c2cnc3n[nH]cc3c2)cc1 ZINC001175404528 1051575329 /nfs/dbraw/zinc/57/53/29/1051575329.db2.gz GCOJOUFLVILEIA-UHFFFAOYSA-N 0 0 331.379 4.019 20 10 EICDRN Cn1ncc2cccc(Nc3ccc(Cc4ccc(N)cc4)cc3)c21 ZINC001175446370 1051587234 /nfs/dbraw/zinc/58/72/34/1051587234.db2.gz LBTFITBYPFWXLM-UHFFFAOYSA-N 0 0 328.419 4.490 20 10 EICDRN Cn1cc2cccc(Nc3ccc(Cc4ccc(N)cc4)cc3)c2n1 ZINC001175461956 1051597072 /nfs/dbraw/zinc/59/70/72/1051597072.db2.gz BUGDVBAAISMIRW-UHFFFAOYSA-N 0 0 328.419 4.490 20 10 EICDRN COc1ccc(N2CCC(Nc3cc(C)c(OC)cc3C)CC2)cc1 ZINC000774486412 1051614767 /nfs/dbraw/zinc/61/47/67/1051614767.db2.gz XRANZJGHMNJSNL-UHFFFAOYSA-N 0 0 340.467 4.402 20 10 EICDRN CCOC(=O)CCCCN(Cc1ccccc1)c1ccc(OC)cc1 ZINC001192060657 1051627792 /nfs/dbraw/zinc/62/77/92/1051627792.db2.gz FSSSHJHSAMTVQG-UHFFFAOYSA-N 0 0 341.451 4.435 20 10 EICDRN Cc1cc(-n2c(=N)ccc(N=Nc3ccccc3)c2N)cc2c[nH]nc21 ZINC001175516489 1051644758 /nfs/dbraw/zinc/64/47/58/1051644758.db2.gz BYCXQCMPLGTMHY-GEQPAYBISA-N 0 0 343.394 4.139 20 10 EICDRN CCc1cccc(CN2CCOc3c2cccc3C(F)(F)F)c1O ZINC001182675415 1051665147 /nfs/dbraw/zinc/66/51/47/1051665147.db2.gz LSKLJXGCUFEATA-UHFFFAOYSA-N 0 0 337.341 4.372 20 10 EICDRN CCc1nnc([C@H](C)[NH2+][C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000775524099 1051699975 /nfs/dbraw/zinc/69/99/75/1051699975.db2.gz CODAXTZHYVYNRR-KWQFWETISA-N 0 0 343.258 4.181 20 10 EICDRN O=C1N[C@H](c2cc(Cl)c3ccccc3c2O)Nc2cc(F)ccc21 ZINC000774548128 1051720821 /nfs/dbraw/zinc/72/08/21/1051720821.db2.gz WGXUNTRNGSTMFK-QGZVFWFLSA-N 0 0 342.757 4.192 20 10 EICDRN COc1ccc(N(c2ccc(N)cc2)c2cc(OC)ncc2F)cc1 ZINC001175691755 1051730962 /nfs/dbraw/zinc/73/09/62/1051730962.db2.gz DDVXIZDMDSLYJC-UHFFFAOYSA-N 0 0 339.370 4.290 20 10 EICDRN O=C(c1ccncc1)c1ccccc1Nc1cnn(-c2ccccc2)c1 ZINC001175797547 1051763195 /nfs/dbraw/zinc/76/31/95/1051763195.db2.gz VBBJOHSDNNNEED-UHFFFAOYSA-N 0 0 340.386 4.242 20 10 EICDRN C[C@H](Nc1ncc(Br)cc1F)c1ccc(N(C)C)cc1 ZINC000775541238 1051782869 /nfs/dbraw/zinc/78/28/69/1051782869.db2.gz VCEBYZIOSUBCDS-JTQLQIEISA-N 0 0 338.224 4.222 20 10 EICDRN CCCn1nc(C)cc1Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001175803945 1051803396 /nfs/dbraw/zinc/80/33/96/1051803396.db2.gz XKXWEYXCVSAVDU-UHFFFAOYSA-N 0 0 345.402 4.121 20 10 EICDRN Nc1ccc(NC(=O)Nc2ccc(Nc3ccc(F)cn3)cc2)cc1 ZINC001175853202 1051820442 /nfs/dbraw/zinc/82/04/42/1051820442.db2.gz HLKVLPLIZWTLAZ-UHFFFAOYSA-N 0 0 337.358 4.191 20 10 EICDRN COc1cc(O)c(CNc2ccc(C(C)(C)C)c(F)c2)cc1OC ZINC001183581129 1051870521 /nfs/dbraw/zinc/87/05/21/1051870521.db2.gz DSROQLABERBOTP-UHFFFAOYSA-N 0 0 333.403 4.458 20 10 EICDRN C[C@H]1CCCCN(C(=O)c2csc(-c3ccc(N(C)C)cc3)n2)C1 ZINC001193163835 1051882508 /nfs/dbraw/zinc/88/25/08/1051882508.db2.gz FWKSDZUUVAITBK-AWEZNQCLSA-N 0 0 343.496 4.138 20 10 EICDRN C[C@H]1CCC[C@H](C)N1C(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193160766 1051882666 /nfs/dbraw/zinc/88/26/66/1051882666.db2.gz BWJZEAAGBCLTND-KBPBESRZSA-N 0 0 343.496 4.279 20 10 EICDRN O=C(Nc1ncccc1-c1ccccc1)c1ccc(O)c(O)c1Cl ZINC001193208994 1051885123 /nfs/dbraw/zinc/88/51/23/1051885123.db2.gz DRBHGJYCCPEMGI-UHFFFAOYSA-N 0 0 340.766 4.066 20 10 EICDRN CCCc1nc2ccc(NC(=O)c3ccc(O)c(O)c3Cl)cc2o1 ZINC001193232809 1051889229 /nfs/dbraw/zinc/88/92/29/1051889229.db2.gz QAGUUTKDISNUGP-UHFFFAOYSA-N 0 0 346.770 4.097 20 10 EICDRN O=C(Nc1cc(Cl)cc2[nH]ccc21)c1ccc(O)c(O)c1Cl ZINC001193229731 1051894391 /nfs/dbraw/zinc/89/43/91/1051894391.db2.gz LBSMPLJXHOGGRJ-UHFFFAOYSA-N 0 0 337.162 4.138 20 10 EICDRN CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775593730 1051917110 /nfs/dbraw/zinc/91/71/10/1051917110.db2.gz JGJFTJQQWDHJRU-GJZGRUSLSA-N 0 0 341.455 4.343 20 10 EICDRN C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1c([O-])cccc1F ZINC001183920259 1051928071 /nfs/dbraw/zinc/92/80/71/1051928071.db2.gz WIODMAZVBRXOSQ-NSHDSACASA-N 0 0 327.321 4.271 20 10 EICDRN Cc1c(C(=O)Nc2nnco2)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193558536 1051952901 /nfs/dbraw/zinc/95/29/01/1051952901.db2.gz AWGNROKYTIEYTA-UHFFFAOYSA-N 0 0 344.374 4.088 20 10 EICDRN C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CN(Cc2ccccc2)C1 ZINC001184265912 1051980502 /nfs/dbraw/zinc/98/05/02/1051980502.db2.gz WPRQPNVDVASMLG-MAUKXSAKSA-N 0 0 344.886 4.046 20 10 EICDRN COc1cccc2c1nc(NCc1ccc3ccccc3c1O)n2C ZINC001184463246 1052017885 /nfs/dbraw/zinc/01/78/85/1052017885.db2.gz YXHWRTWFRNXWSL-UHFFFAOYSA-N 0 0 333.391 4.053 20 10 EICDRN COc1ccc(N(CCC(C)C)C[C@H](O)Cc2ccc(F)cc2)cc1 ZINC001194074676 1052071699 /nfs/dbraw/zinc/07/16/99/1052071699.db2.gz YZQSKMIXFOCIMK-HXUWFJFHSA-N 0 0 345.458 4.290 20 10 EICDRN COc1nscc1CN(C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001176474356 1052084796 /nfs/dbraw/zinc/08/47/96/1052084796.db2.gz GBRLSJJUWHXFLJ-UHFFFAOYSA-N 0 0 345.512 4.082 20 10 EICDRN Cc1cc(Br)ccc1NC(=O)N[C@H](C)c1ccccc1O ZINC001184830694 1052113230 /nfs/dbraw/zinc/11/32/30/1052113230.db2.gz OKDMESHNXXZHSJ-LLVKDONJSA-N 0 0 349.228 4.346 20 10 EICDRN O=C(c1ccncc1)c1ccccc1Nc1cccnc1N1CCCC1 ZINC001185042331 1052158417 /nfs/dbraw/zinc/15/84/17/1052158417.db2.gz FOGOIERDXWQVLG-UHFFFAOYSA-N 0 0 344.418 4.051 20 10 EICDRN CCOc1cccc(CNc2cnn(CC(C)C)c2C(C)C)c1O ZINC000774825861 1052162524 /nfs/dbraw/zinc/16/25/24/1052162524.db2.gz FLNFWOXIOKNWKU-UHFFFAOYSA-N 0 0 331.460 4.379 20 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/nfs/dbraw/zinc/23/37/19/1052233719.db2.gz FOUVLXDFDDMXPK-QGZVFWFLSA-N 0 0 339.483 4.435 20 10 EICDRN CCCN(Cc1ccccc1O)c1nc2cc(C)nn2c2ccccc21 ZINC001185736493 1052289136 /nfs/dbraw/zinc/28/91/36/1052289136.db2.gz RCURLOAIEHEAPA-UHFFFAOYSA-N 0 0 346.434 4.313 20 10 EICDRN Oc1c(CNc2ncc3ccsc3n2)cc(Cl)c2cccnc12 ZINC001168527066 1052413808 /nfs/dbraw/zinc/41/38/08/1052413808.db2.gz CCCKKFWHNOZKGB-UHFFFAOYSA-N 0 0 342.811 4.211 20 10 EICDRN CSc1ncc(C)c(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001168527165 1052471607 /nfs/dbraw/zinc/47/16/07/1052471607.db2.gz DXTNFGXBQRCVRR-UHFFFAOYSA-N 0 0 346.843 4.026 20 10 EICDRN Cc1ccc(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000073118020 1052720060 /nfs/dbraw/zinc/72/00/60/1052720060.db2.gz OLTHVCUZZMDKHG-UHFFFAOYSA-N 0 0 349.430 4.455 20 10 EICDRN COc1ccc(CN2C(=O)/C(=C\c3ccsc3)SC2=S)cc1 ZINC000073139281 1052763106 /nfs/dbraw/zinc/76/31/06/1052763106.db2.gz SZKSRTOSDBSVFJ-RIYZIHGNSA-N 0 0 347.486 4.158 20 10 EICDRN CC(=O)CCCCCCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000764017887 1052898831 /nfs/dbraw/zinc/89/88/31/1052898831.db2.gz DVFRJPSPEQRRJE-UHFFFAOYSA-N 0 0 344.499 4.223 20 10 EICDRN COc1cc(CNc2ccc3oc(=O)[nH]c3c2)c(O)c(C(C)(C)C)c1 ZINC000850048447 1053064783 /nfs/dbraw/zinc/06/47/83/1053064783.db2.gz OKGRSCBDKAMVKF-UHFFFAOYSA-N 0 0 342.395 4.157 20 10 EICDRN COc1nccc2c(NCc3cc(Cl)c(F)cc3O)cccc21 ZINC000864015470 1053141493 /nfs/dbraw/zinc/14/14/93/1053141493.db2.gz PTJBTFSRSFYHBW-UHFFFAOYSA-N 0 0 332.762 4.354 20 10 EICDRN CCOc1ccc(N(Cc2cc(CO)ccc2F)CC2CC2)cc1 ZINC000864033603 1053173720 /nfs/dbraw/zinc/17/37/20/1053173720.db2.gz XWHFVEGGURXLEJ-UHFFFAOYSA-N 0 0 329.415 4.133 20 10 EICDRN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850493581 1053261628 /nfs/dbraw/zinc/26/16/28/1053261628.db2.gz JTJBNKIZGIQYNU-QWRGUYRKSA-N 0 0 331.287 4.222 20 10 EICDRN Cc1conc1NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000159362358 1053265447 /nfs/dbraw/zinc/26/54/47/1053265447.db2.gz MJOLIYJIOJZYAZ-UHFFFAOYSA-N 0 0 342.443 4.074 20 10 EICDRN C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000850525503 1053285335 /nfs/dbraw/zinc/28/53/35/1053285335.db2.gz JWAVIYZCFQSSOP-AMKSKSKJSA-N 0 0 337.341 4.240 20 10 EICDRN COc1cccc(C2([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])CCC2)c1 ZINC000850565430 1053320410 /nfs/dbraw/zinc/32/04/10/1053320410.db2.gz BBNWJYXOAUBQGQ-CYBMUJFWSA-N 0 0 342.395 4.039 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCc3c2cccc3Cl)cc1 ZINC000775647260 1053325314 /nfs/dbraw/zinc/32/53/14/1053325314.db2.gz QPUWSOGZCPPRKU-SFHVURJKSA-N 0 0 342.870 4.094 20 10 EICDRN CC[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000850573237 1053328148 /nfs/dbraw/zinc/32/81/48/1053328148.db2.gz XLHHKOLCKXBVIO-TVQRCGJNSA-N 0 0 328.243 4.234 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000775644819 1053333023 /nfs/dbraw/zinc/33/30/23/1053333023.db2.gz QOUIOIHDCBXHKO-UHFFFAOYSA-N 0 0 333.790 4.180 20 10 EICDRN CCC[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000109460412 1053339567 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Cc1cc(C)c2c(c1)N(C(=O)c1ccc(N=NC(N)=O)cc1)CCC2 ZINC000874315784 1054647333 /nfs/dbraw/zinc/64/73/33/1054647333.db2.gz ICGJEOOMWDBOIX-UHFFFAOYSA-N 0 0 336.395 4.059 20 10 EICDRN Cc1cc(NC(=S)NCc2nccc(Cl)c2Cl)ccc1F ZINC001201047065 1054650915 /nfs/dbraw/zinc/65/09/15/1054650915.db2.gz MFUCLYALCPWSRV-UHFFFAOYSA-N 0 0 344.242 4.323 20 10 EICDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3c(C)nn(C)c3C)n2)cc1 ZINC001212373023 1054704136 /nfs/dbraw/zinc/70/41/36/1054704136.db2.gz QHKVTOWDHPJTCL-UHFFFAOYSA-N 0 0 347.422 4.161 20 10 EICDRN CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000859697396 1054716141 /nfs/dbraw/zinc/71/61/41/1054716141.db2.gz GDVXGRRYWDDMPP-QGZVFWFLSA-N 0 0 327.403 4.208 20 10 EICDRN Cc1cc([C@@H](NC(=O)N2Cc3cccc(O)c3C2)C2CC2)ccc1F ZINC000875430713 1054790116 /nfs/dbraw/zinc/79/01/16/1054790116.db2.gz GYJMBUWRXQACHN-IBGZPJMESA-N 0 0 340.398 4.016 20 10 EICDRN CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001201424786 1054796723 /nfs/dbraw/zinc/79/67/23/1054796723.db2.gz CTUIXPDBBPXRSL-CYBMUJFWSA-N 0 0 335.394 4.446 20 10 EICDRN CC(C)Nc1ccc(Nc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001201498235 1054819951 /nfs/dbraw/zinc/81/99/51/1054819951.db2.gz VUEBEQATOBAMQA-UHFFFAOYSA-N 0 0 342.462 4.141 20 10 EICDRN CC(C)Nc1ccc(Nc2ccc(C3=NNC(=O)C[C@@H]3C)cc2)cc1 ZINC001201498097 1054820297 /nfs/dbraw/zinc/82/02/97/1054820297.db2.gz RNUZDHURMDZYQY-AWEZNQCLSA-N 0 0 336.439 4.111 20 10 EICDRN FC(F)(F)c1cccc(NC(=S)NCc2ccc(Cl)cn2)c1 ZINC000776192020 1054826777 /nfs/dbraw/zinc/82/67/77/1054826777.db2.gz HDXLNSLJMJMYFH-UHFFFAOYSA-N 0 0 345.777 4.240 20 10 EICDRN Cc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1-c1ncco1 ZINC001201699608 1054881135 /nfs/dbraw/zinc/88/11/35/1054881135.db2.gz ATDXXVRCFXLBDX-CYBMUJFWSA-N 0 0 337.379 4.238 20 10 EICDRN COc1c(F)ccc(F)c1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000125959027 1054906906 /nfs/dbraw/zinc/90/69/06/1054906906.db2.gz CBNYXSIGZYRYTF-UHFFFAOYSA-N 0 0 346.377 4.216 20 10 EICDRN COc1cc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])ccc1O ZINC000125976498 1054925191 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CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1ccn2C ZINC000726936062 1026365971 /nfs/dbraw/zinc/36/59/71/1026365971.db2.gz FMCOBSWBJCBXTI-UHFFFAOYSA-N 0 0 349.478 4.295 20 10 EICDRN C[C@@H](N[C@@H](C)c1cc(F)ccc1O)c1nc(C(F)(F)F)cs1 ZINC000279432395 1026425169 /nfs/dbraw/zinc/42/51/69/1026425169.db2.gz GSSFLEUBEGTEKU-JGVFFNPUSA-N 0 0 334.338 4.418 20 10 EICDRN CCC(CC)CN(CC)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127981202 1026861130 /nfs/dbraw/zinc/86/11/30/1026861130.db2.gz KDORHUWGFHNTKH-UHFFFAOYSA-N 0 0 329.488 4.031 20 10 EICDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H](C)c1ccccc1 ZINC000472239177 1026913248 /nfs/dbraw/zinc/91/32/48/1026913248.db2.gz HTRLYWIKEAVXJP-MRXNPFEDSA-N 0 0 335.451 4.389 20 10 EICDRN Cc1c2ccccc2n(C)c1CNC(=O)N(CC1CCC1)C(C)C ZINC000472243462 1026954144 /nfs/dbraw/zinc/95/41/44/1026954144.db2.gz UPPHJYJXOWCIPZ-UHFFFAOYSA-N 0 0 327.472 4.207 20 10 EICDRN Cc1cc(C(=O)Nc2ccnn2C2CCCC2)c(C)n1-c1ccccn1 ZINC000728520968 1027184849 /nfs/dbraw/zinc/18/48/49/1027184849.db2.gz SDASPCHHJFZRAO-UHFFFAOYSA-N 0 0 349.438 4.053 20 10 EICDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c(Cl)c1C ZINC001625877326 1027231948 /nfs/dbraw/zinc/23/19/48/1027231948.db2.gz DJDHQVXALFNPLS-UHFFFAOYSA-N 0 0 349.837 4.484 20 10 EICDRN CC(=O)c1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000302428107 1027311735 /nfs/dbraw/zinc/31/17/35/1027311735.db2.gz PDGFUDNNEFGFOH-LBPRGKRZSA-N 0 0 327.384 4.037 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccc(F)cc1[O-] ZINC000796663403 1027404865 /nfs/dbraw/zinc/40/48/65/1027404865.db2.gz MDXFNHGEDSRDCN-MSOLQXFVSA-N 0 0 334.410 4.014 20 10 EICDRN CCN(CC)C(=O)c1ccc(NCc2ccc(N(C)C)cc2C)cc1 ZINC000840883783 1027415515 /nfs/dbraw/zinc/41/55/15/1027415515.db2.gz HWSKTUJHTSDQFQ-UHFFFAOYSA-N 0 0 339.483 4.155 20 10 EICDRN COc1cc2c(cc1NCC(=O)N[C@H](C)C(C)C)oc1ccccc12 ZINC000025613029 1027512041 /nfs/dbraw/zinc/51/20/41/1027512041.db2.gz VRLSYQSKNAZBDM-CYBMUJFWSA-N 0 0 340.423 4.167 20 10 EICDRN CC[C@@H](C)n1nc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1C 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CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001142465555 1046136318 /nfs/dbraw/zinc/13/63/18/1046136318.db2.gz LZBOUVRGTVEPIC-LEWJYISDSA-N 0 0 348.490 4.051 20 10 EICDRN CC(C)(C)[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000793104370 1046145904 /nfs/dbraw/zinc/14/59/04/1046145904.db2.gz QYABYOCCOQDXLH-CYBMUJFWSA-N 0 0 341.546 4.093 20 10 EICDRN Cc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cn1 ZINC000770263136 1046166208 /nfs/dbraw/zinc/16/62/08/1046166208.db2.gz QQXWPXZEWKVXDC-UHFFFAOYSA-N 0 0 339.439 4.462 20 10 EICDRN Cc1cc(C)c(NC(=O)NCc2ccccc2O)c(Br)c1 ZINC000770276541 1046167758 /nfs/dbraw/zinc/16/77/58/1046167758.db2.gz YSJBGKBZIVLQAO-UHFFFAOYSA-N 0 0 349.228 4.093 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)Nc2nc(C(C)C)cs2)cc1 ZINC000916671278 1046175163 /nfs/dbraw/zinc/17/51/63/1046175163.db2.gz LMLHQWIZTVBDSW-UHFFFAOYSA-N 0 0 346.500 4.434 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000916668247 1046175610 /nfs/dbraw/zinc/17/56/10/1046175610.db2.gz VPAPQQXSXFRUMQ-UHFFFAOYSA-N 0 0 339.439 4.057 20 10 EICDRN C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1n1ccnc1 ZINC000770322884 1046178021 /nfs/dbraw/zinc/17/80/21/1046178021.db2.gz KUKLHUKFOCRINL-DYESRHJHSA-N 0 0 347.462 4.339 20 10 EICDRN COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000793232271 1046179394 /nfs/dbraw/zinc/17/93/94/1046179394.db2.gz KYUKKNLUGIJGEW-KRWDZBQOSA-N 0 0 333.859 4.173 20 10 EICDRN CCC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000793245140 1046189537 /nfs/dbraw/zinc/18/95/37/1046189537.db2.gz XKXRPEDHAAMSPO-CRAIPNDOSA-N 0 0 337.822 4.177 20 10 EICDRN Cc1nc(-c2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2)cs1 ZINC000770465744 1046205300 /nfs/dbraw/zinc/20/53/00/1046205300.db2.gz HZKJAJHQGVFHNX-UHFFFAOYSA-N 0 0 340.404 4.090 20 10 EICDRN CCN(C(=O)c1ccc(C)c(O)c1O)[C@H](C)c1cc2ccccc2o1 ZINC000770486174 1046214193 /nfs/dbraw/zinc/21/41/93/1046214193.db2.gz CYWPUTPTMDCDCQ-CYBMUJFWSA-N 0 0 339.391 4.376 20 10 EICDRN CCN(CC)c1ccc(CNc2ccc(OCC(C)(C)O)cc2)cc1 ZINC000770579476 1046227891 /nfs/dbraw/zinc/22/78/91/1046227891.db2.gz KUURWIFPBJSZTG-UHFFFAOYSA-N 0 0 342.483 4.295 20 10 EICDRN COc1ccc(Cn2cc(N[C@@H](C)c3cc(C)ccc3O)cn2)cc1 ZINC000793563299 1046291150 /nfs/dbraw/zinc/29/11/50/1046291150.db2.gz DZRGAOPGDLKHQV-HNNXBMFYSA-N 0 0 337.423 4.127 20 10 EICDRN C[C@@H](Nc1ccc2ccn(C)c(=O)c2c1)c1cc2c(cc1O)CCCC2 ZINC000793564192 1046293871 /nfs/dbraw/zinc/29/38/71/1046293871.db2.gz JVXGHXHHQAMMSH-CQSZACIVSA-N 0 0 348.446 4.296 20 10 EICDRN CCN(C)c1ccc([C@H](C)Nc2ccc3ccn(C)c(=O)c3c2)cc1 ZINC000793566320 1046294381 /nfs/dbraw/zinc/29/43/81/1046294381.db2.gz UMPSNJVIIICTRQ-HNNXBMFYSA-N 0 0 335.451 4.168 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000793619090 1046314654 /nfs/dbraw/zinc/31/46/54/1046314654.db2.gz DRYKDFKSLUGVKW-UHFFFAOYSA-N 0 0 325.733 4.349 20 10 EICDRN CC[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000793724477 1046325819 /nfs/dbraw/zinc/32/58/19/1046325819.db2.gz ALOSGFDUEFVGAS-QRQLOZEOSA-N 0 0 345.483 4.116 20 10 EICDRN CC[C@@H]1CCCC[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000793724463 1046326024 /nfs/dbraw/zinc/32/60/24/1046326024.db2.gz ALOSGFDUEFVGAS-BHIYHBOVSA-N 0 0 345.483 4.116 20 10 EICDRN CC[C@H](C)[C@@H](C)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000780594932 1046349517 /nfs/dbraw/zinc/34/95/17/1046349517.db2.gz BGFNNTBOZZDQIS-NWDGAFQWSA-N 0 0 342.277 4.185 20 10 EICDRN Oc1c(CNc2ccc3c(c2)CCOC3)cc(Cl)c2cccnc12 ZINC001168521413 1046365885 /nfs/dbraw/zinc/36/58/85/1046365885.db2.gz BNYBHCXGIJVQEN-UHFFFAOYSA-N 0 0 340.810 4.279 20 10 EICDRN O=C(CCCc1cccc(C(F)(F)F)c1)NCc1ccccc1O ZINC000771417223 1046389557 /nfs/dbraw/zinc/38/95/57/1046389557.db2.gz MUSZFUUFIWBABE-UHFFFAOYSA-N 0 0 337.341 4.050 20 10 EICDRN Clc1cc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2cc1Cl ZINC000916853962 1046391042 /nfs/dbraw/zinc/39/10/42/1046391042.db2.gz AWNRVOVOCKZOKG-UHFFFAOYSA-N 0 0 348.233 4.373 20 10 EICDRN COc1cc(C)ccc1OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000916856777 1046394633 /nfs/dbraw/zinc/39/46/33/1046394633.db2.gz YLGGTJLRHHYVSU-UHFFFAOYSA-N 0 0 336.391 4.025 20 10 EICDRN Cc1cnccc1C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000771449344 1046398736 /nfs/dbraw/zinc/39/87/36/1046398736.db2.gz ZJBFLEODPNPKPA-QGZVFWFLSA-N 0 0 346.430 4.499 20 10 EICDRN COc1ccc(CNC(=O)c2oc3c(c2C)c(C)ccc3C)c(O)c1 ZINC000794377586 1046405858 /nfs/dbraw/zinc/40/58/58/1046405858.db2.gz QNHAUVSQOHVFHA-UHFFFAOYSA-N 0 0 339.391 4.002 20 10 EICDRN CCN(CC)c1ccc(CNc2nnc(CC(F)(F)F)s2)cc1 ZINC000771757129 1046484983 /nfs/dbraw/zinc/48/49/83/1046484983.db2.gz LKVRZLOPHIYPLK-UHFFFAOYSA-N 0 0 344.406 4.101 20 10 EICDRN O=C1/C(=C\c2cscc2Cl)SC(=S)N1c1cccnc1 ZINC000771838788 1046496089 /nfs/dbraw/zinc/49/60/89/1046496089.db2.gz AUTJVWXJODYOSU-NYYWCZLTSA-N 0 0 338.866 4.202 20 10 EICDRN CC(C)[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000771939475 1046527997 /nfs/dbraw/zinc/52/79/97/1046527997.db2.gz OWJPIXZGOVLSRK-VQTJNVASSA-N 0 0 340.467 4.167 20 10 EICDRN CSCCNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000772028961 1046555991 /nfs/dbraw/zinc/55/59/91/1046555991.db2.gz SNCJKZPLFDPPDP-UHFFFAOYSA-N 0 0 342.468 4.261 20 10 EICDRN C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000804527796 1046570397 /nfs/dbraw/zinc/57/03/97/1046570397.db2.gz VXKMFNNUKZULEM-DEVPJACJSA-N 0 0 337.419 4.111 20 10 EICDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2ccon2)cc1 ZINC000772149056 1046581518 /nfs/dbraw/zinc/58/15/18/1046581518.db2.gz HVFVMSDWIPOVTF-UHFFFAOYSA-N 0 0 349.394 4.086 20 10 EICDRN C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000772301946 1046614313 /nfs/dbraw/zinc/61/43/13/1046614313.db2.gz YAIRJGTZRJUAHU-ZDUSSCGKSA-N 0 0 336.395 4.382 20 10 EICDRN COc1ccc(CNC(=O)c2coc3ccc(C(C)C)cc23)c(O)c1 ZINC000804645489 1046701413 /nfs/dbraw/zinc/70/14/13/1046701413.db2.gz RABZTWMZDGJOED-UHFFFAOYSA-N 0 0 339.391 4.200 20 10 EICDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc2ccccc2cc1O ZINC000917117884 1046730539 /nfs/dbraw/zinc/73/05/39/1046730539.db2.gz XPJURQJYDKYYKY-UHFFFAOYSA-N 0 0 346.430 4.076 20 10 EICDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc(Cl)c1F ZINC001129814491 1046737199 /nfs/dbraw/zinc/73/71/99/1046737199.db2.gz HKKBJJSLHBXZIN-CYBMUJFWSA-N 0 0 348.849 4.215 20 10 EICDRN O=C(NCc1ccccc1O)Nc1cc(-c2cccc(Cl)c2)on1 ZINC000786038696 1046805324 /nfs/dbraw/zinc/80/53/24/1046805324.db2.gz NAVILJYCISKHJH-UHFFFAOYSA-N 0 0 343.770 4.022 20 10 EICDRN Cc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cn1 ZINC000154305890 1046805376 /nfs/dbraw/zinc/80/53/76/1046805376.db2.gz FOXISTMZVDKMGU-ATTDUZETSA-N 0 0 340.473 4.352 20 10 EICDRN CC(C)C[C@@H](C)N(C)C(=O)CSc1ncc(-c2ccccc2)n1C ZINC000917192250 1046808701 /nfs/dbraw/zinc/80/87/01/1046808701.db2.gz FLJATYOZWXLTQI-OAHLLOKOSA-N 0 0 345.512 4.072 20 10 EICDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C12CCC(CC1)CC2 ZINC001129974424 1046820930 /nfs/dbraw/zinc/82/09/30/1046820930.db2.gz OXHUGTPSLZLSEA-ZGGTZUKQSA-N 0 0 328.500 4.079 20 10 EICDRN O=C(NCc1ccc(N2CCCC2)cc1)NC(C1CCC1)C1CCC1 ZINC000804967323 1046836319 /nfs/dbraw/zinc/83/63/19/1046836319.db2.gz NYCZYGPQGLEKTM-UHFFFAOYSA-N 0 0 341.499 4.055 20 10 EICDRN CCCCCOc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000917309452 1046839553 /nfs/dbraw/zinc/83/95/53/1046839553.db2.gz XJLRFCMYKJETFE-UHFFFAOYSA-N 0 0 327.424 4.233 20 10 EICDRN COc1cccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)c1 ZINC000033323275 1046874272 /nfs/dbraw/zinc/87/42/72/1046874272.db2.gz ZUWVINZORBPCJN-LFIBNONCSA-N 0 0 341.457 4.409 20 10 EICDRN CCCN(Cc1c(O)ccc2ccc(OC)cc21)CC(F)(F)F ZINC000917437318 1046878663 /nfs/dbraw/zinc/87/86/63/1046878663.db2.gz LHCJLOGFCDZAQK-UHFFFAOYSA-N 0 0 327.346 4.328 20 10 EICDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC001130216059 1046900818 /nfs/dbraw/zinc/90/08/18/1046900818.db2.gz SPCNQWJVEMZBPJ-SREVYHEPSA-N 0 0 338.304 4.306 20 10 EICDRN CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(N(C)C)cc1 ZINC000917499787 1046911865 /nfs/dbraw/zinc/91/18/65/1046911865.db2.gz LUTFGRYTTYDKCX-SFHVURJKSA-N 0 0 343.858 4.383 20 10 EICDRN O=C1/C(=C/c2ccc3c(c2)CCO3)SC(=S)N1c1ccccc1 ZINC000917516046 1046939107 /nfs/dbraw/zinc/93/91/07/1046939107.db2.gz IKXOBQSILZQMSM-WJDWOHSUSA-N 0 0 339.441 4.027 20 10 EICDRN COc1c(O)c(CNc2ccc(C3CCC3)cc2)ccc1[N+](=O)[O-] ZINC000787308271 1046990776 /nfs/dbraw/zinc/99/07/76/1046990776.db2.gz AZCVGNJAPIYZRG-UHFFFAOYSA-N 0 0 328.368 4.189 20 10 EICDRN CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000787416440 1047004136 /nfs/dbraw/zinc/00/41/36/1047004136.db2.gz FSOGYQONNDEQOU-NSHDSACASA-N 0 0 325.733 4.348 20 10 EICDRN CN1CCCc2cc(CNC(=O)N[C@@H](c3ccccc3)C3CC3)ccc21 ZINC000746718490 1047074372 /nfs/dbraw/zinc/07/43/72/1047074372.db2.gz DOZQTCHNUZIJBP-NRFANRHFSA-N 0 0 349.478 4.020 20 10 EICDRN Cc1nc(C)c(CN2CCCc3cc(OC(F)(F)F)ccc32)o1 ZINC000788020285 1047095605 /nfs/dbraw/zinc/09/56/05/1047095605.db2.gz PGCKCRYRNMYMJI-UHFFFAOYSA-N 0 0 326.318 4.143 20 10 EICDRN CCc1ccccc1NC(=O)NCc1cc(Br)ccc1O ZINC000806138266 1047133798 /nfs/dbraw/zinc/13/37/98/1047133798.db2.gz XSELEICFRZUBNV-UHFFFAOYSA-N 0 0 349.228 4.039 20 10 EICDRN Cc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000033396854 1047138838 /nfs/dbraw/zinc/13/88/38/1047138838.db2.gz ZPIIJSATMSNVMA-WJDWOHSUSA-N 0 0 325.458 4.396 20 10 EICDRN CCc1cccc(NC(=O)NCc2cc(Br)ccc2O)c1 ZINC000806123221 1047147368 /nfs/dbraw/zinc/14/73/68/1047147368.db2.gz MONZUATUTCTAFQ-UHFFFAOYSA-N 0 0 349.228 4.039 20 10 EICDRN Cc1cccc(C)c1NC(=O)NCc1cc(Br)ccc1O ZINC000806128037 1047147723 /nfs/dbraw/zinc/14/77/23/1047147723.db2.gz MLEROKLKPDBRTF-UHFFFAOYSA-N 0 0 349.228 4.093 20 10 EICDRN CC[C@H]([NH2+]CCOc1ccccc1OC)c1cccc(Cl)c1[O-] ZINC000806129413 1047153196 /nfs/dbraw/zinc/15/31/96/1047153196.db2.gz VXFLKEGJEWSIFH-HNNXBMFYSA-N 0 0 335.831 4.174 20 10 EICDRN CC[C@@H](Nc1cccc(C(=O)N(C)CC)c1)c1ccc(N(C)C)cc1 ZINC000806169716 1047154912 /nfs/dbraw/zinc/15/49/12/1047154912.db2.gz JOOZTPHVDFUEHH-HXUWFJFHSA-N 0 0 339.483 4.408 20 10 EICDRN CC[C@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1cccc(Cl)c1[O-] ZINC000806132082 1047155790 /nfs/dbraw/zinc/15/57/90/1047155790.db2.gz QWBGPYZPVRNLLV-KRWDZBQOSA-N 0 0 332.831 4.245 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806130365 1047156009 /nfs/dbraw/zinc/15/60/09/1047156009.db2.gz WVDDNJQBSQNTCA-CHWSQXEVSA-N 0 0 330.211 4.066 20 10 EICDRN CC[C@@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1cccc(Cl)c1[O-] ZINC000806141042 1047165041 /nfs/dbraw/zinc/16/50/41/1047165041.db2.gz PFSGRZYTHLZPMD-NVXWUHKLSA-N 0 0 331.847 4.262 20 10 EICDRN CC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140788 1047165506 /nfs/dbraw/zinc/16/55/06/1047165506.db2.gz MQNITUVMPCZEHQ-KBPBESRZSA-N 0 0 344.238 4.375 20 10 EICDRN CC[C@@H]([NH2+]Cc1nc2cc(C)ccc2[nH]1)c1cccc(Cl)c1[O-] ZINC000806140709 1047166596 /nfs/dbraw/zinc/16/65/96/1047166596.db2.gz BDXQGWNYWRPHQR-CQSZACIVSA-N 0 0 329.831 4.471 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cccc(Cl)c1[O-] ZINC000806147878 1047173630 /nfs/dbraw/zinc/17/36/30/1047173630.db2.gz NVMMCLXAKALTPH-ZHRRBRCNSA-N 0 0 337.872 4.024 20 10 EICDRN CC[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1[O-] ZINC000806160740 1047183778 /nfs/dbraw/zinc/18/37/78/1047183778.db2.gz JYMYMYIDGFNFQE-MRXNPFEDSA-N 0 0 344.842 4.258 20 10 EICDRN CCc1ccc([C@H](O)C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])cc1 ZINC000806165158 1047188238 /nfs/dbraw/zinc/18/82/38/1047188238.db2.gz DESFZBOSFZSSLA-ZWKOTPCHSA-N 0 0 333.859 4.382 20 10 EICDRN CC[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806164356 1047188391 /nfs/dbraw/zinc/18/83/91/1047188391.db2.gz QZCLPOYNQBROTE-YJBOKZPZSA-N 0 0 333.859 4.080 20 10 EICDRN CC(C)SCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000806168062 1047190798 /nfs/dbraw/zinc/19/07/98/1047190798.db2.gz VIDGGXGNOKWOTM-VIFPVBQESA-N 0 0 336.270 4.086 20 10 EICDRN CC(C)SCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000806167770 1047191469 /nfs/dbraw/zinc/19/14/69/1047191469.db2.gz JIOFDLJOULIHEM-VIFPVBQESA-N 0 0 336.270 4.086 20 10 EICDRN C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000806177216 1047201499 /nfs/dbraw/zinc/20/14/99/1047201499.db2.gz WARUTIQVAIWIBI-ZBEGNZNMSA-N 0 0 340.250 4.473 20 10 EICDRN C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000788503023 1047206639 /nfs/dbraw/zinc/20/66/39/1047206639.db2.gz LVYBYDDMYURUCW-GFCCVEGCSA-N 0 0 338.373 4.328 20 10 EICDRN Cc1ccccc1C1(C(=O)NCCCSc2nccs2)CCC1 ZINC000788513080 1047208887 /nfs/dbraw/zinc/20/88/87/1047208887.db2.gz NBFBXQXDLMHTGR-UHFFFAOYSA-N 0 0 346.521 4.172 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(c3ccccc3C)CCC2)c1 ZINC000788517626 1047211953 /nfs/dbraw/zinc/21/19/53/1047211953.db2.gz YOPLHGKJVWPJMX-OAHLLOKOSA-N 0 0 339.435 4.008 20 10 EICDRN C[C@@H]([NH2+]CCOC1CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788648628 1047247163 /nfs/dbraw/zinc/24/71/63/1047247163.db2.gz QGCQGCUEPKEGRN-GFCCVEGCSA-N 0 0 331.378 4.411 20 10 EICDRN C[C@H]([NH2+]CCOC1CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788648632 1047247753 /nfs/dbraw/zinc/24/77/53/1047247753.db2.gz QGCQGCUEPKEGRN-LBPRGKRZSA-N 0 0 331.378 4.411 20 10 EICDRN C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788629544 1047255937 /nfs/dbraw/zinc/25/59/37/1047255937.db2.gz WDNHIEZVWBQIHH-CYBMUJFWSA-N 0 0 345.405 4.395 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000918012332 1047262627 /nfs/dbraw/zinc/26/26/27/1047262627.db2.gz UBQOFZUOSJVCTB-HXUWFJFHSA-N 0 0 333.435 4.400 20 10 EICDRN C[C@@H](Nc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1O ZINC000788691827 1047265798 /nfs/dbraw/zinc/26/57/98/1047265798.db2.gz PJFFNWMMTNNCDG-SECBINFHSA-N 0 0 325.286 4.313 20 10 EICDRN Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788668663 1047267189 /nfs/dbraw/zinc/26/71/89/1047267189.db2.gz XMSGUCVQMUIEFJ-ZWNOBZJWSA-N 0 0 345.386 4.165 20 10 EICDRN Cc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000918000088 1047269710 /nfs/dbraw/zinc/26/97/10/1047269710.db2.gz SINQQVBDOBDMEH-UHFFFAOYSA-N 0 0 339.483 4.181 20 10 EICDRN Cc1cc(C)c([C@@H](C)Nc2ccc(N3CCO[C@H](C)C3)cc2)c(O)c1 ZINC000788730758 1047294611 /nfs/dbraw/zinc/29/46/11/1047294611.db2.gz XVZZBNPKVWIYED-IAGOWNOFSA-N 0 0 340.467 4.407 20 10 EICDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)c(Cl)cc1F ZINC000806583560 1047295421 /nfs/dbraw/zinc/29/54/21/1047295421.db2.gz BFKSVUVJIBHXFX-UHFFFAOYSA-N 0 0 335.810 4.175 20 10 EICDRN C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788741784 1047301112 /nfs/dbraw/zinc/30/11/12/1047301112.db2.gz VDZDXYBRKUOZGH-AGIUHOORSA-N 0 0 331.378 4.267 20 10 EICDRN C[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000918069774 1047303794 /nfs/dbraw/zinc/30/37/94/1047303794.db2.gz JYFSKHGHOSTYJD-WBVHZDCISA-N 0 0 329.488 4.005 20 10 EICDRN C[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[C@@H]1C ZINC000918055564 1047307098 /nfs/dbraw/zinc/30/70/98/1047307098.db2.gz FUCLPXQRVILVIQ-JXXFODFXSA-N 0 0 343.515 4.251 20 10 EICDRN CCOC1CC(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000788776153 1047312041 /nfs/dbraw/zinc/31/20/41/1047312041.db2.gz KIFMTNLJBPIDPY-HIFPTAJRSA-N 0 0 331.378 4.267 20 10 EICDRN CCOC[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])C(C)C ZINC000788984597 1047339119 /nfs/dbraw/zinc/33/91/19/1047339119.db2.gz LAVCSRGTRKYBHQ-HZMBPMFUSA-N 0 0 348.256 4.006 20 10 EICDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc3c2OC(C)(C)C3)c1 ZINC000788985128 1047341820 /nfs/dbraw/zinc/34/18/20/1047341820.db2.gz VKVJDCMGPTZLSM-LBPRGKRZSA-N 0 0 341.407 4.065 20 10 EICDRN CCCCS[C@H](C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000918147203 1047347175 /nfs/dbraw/zinc/34/71/75/1047347175.db2.gz XTWDQRWEZHLBFB-MRXNPFEDSA-N 0 0 336.545 4.413 20 10 EICDRN COc1ccc(O)c(CNC(=O)Nc2cccc(-c3ccccc3)c2)c1 ZINC000806759021 1047355082 /nfs/dbraw/zinc/35/50/82/1047355082.db2.gz VEXWSIAQCIUDHA-UHFFFAOYSA-N 0 0 348.402 4.390 20 10 EICDRN CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000918208916 1047381297 /nfs/dbraw/zinc/38/12/97/1047381297.db2.gz JYAIPTVIZJNMDJ-PKOBYXMFSA-N 0 0 329.488 4.055 20 10 EICDRN C[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000918216128 1047383135 /nfs/dbraw/zinc/38/31/35/1047383135.db2.gz OXUFXWWDWCQZHK-OAHLLOKOSA-N 0 0 328.431 4.044 20 10 EICDRN CCN(Cc1ccccc1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000918229574 1047385431 /nfs/dbraw/zinc/38/54/31/1047385431.db2.gz JIBUIXQMTUKZOC-UHFFFAOYSA-N 0 0 339.483 4.265 20 10 EICDRN CN1CCCc2cc(CNC(=O)c3csc4ccccc34)ccc21 ZINC000746811972 1047414985 /nfs/dbraw/zinc/41/49/85/1047414985.db2.gz VTTUDHMMOWQMIZ-UHFFFAOYSA-N 0 0 336.460 4.214 20 10 EICDRN CCc1ncsc1NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000747376827 1047426600 /nfs/dbraw/zinc/42/66/00/1047426600.db2.gz YQMKQOMLWABKAR-UHFFFAOYSA-N 0 0 346.500 4.216 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1csc(C2CC2)n1 ZINC000747375599 1047426644 /nfs/dbraw/zinc/42/66/44/1047426644.db2.gz PHVGSZWKTUNJRX-UHFFFAOYSA-N 0 0 343.496 4.137 20 10 EICDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(-n2cccc2)ccn1 ZINC000807486439 1047465072 /nfs/dbraw/zinc/46/50/72/1047465072.db2.gz QYIKGPWRQNNFLF-UHFFFAOYSA-N 0 0 349.434 4.020 20 10 EICDRN CCNC(=O)Nc1cccc(NCc2cccc(Cl)c2O)c1C ZINC000789764519 1047470133 /nfs/dbraw/zinc/47/01/33/1047470133.db2.gz HUWIAOJAZGSAIX-UHFFFAOYSA-N 0 0 333.819 4.108 20 10 EICDRN C=C/C(C)=C\CC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000789989229 1047497961 /nfs/dbraw/zinc/49/79/61/1047497961.db2.gz MQGDRDVYQMCWFH-SDQBBNPISA-N 0 0 338.245 4.026 20 10 EICDRN Cc1cc(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c(C)n1-c1ccccn1 ZINC000746870271 1047500076 /nfs/dbraw/zinc/50/00/76/1047500076.db2.gz CHDGDKCIWRFVOS-SJORKVTESA-N 0 0 347.462 4.411 20 10 EICDRN Cc1cc(C(=O)NCCOC(C)(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000746870093 1047502208 /nfs/dbraw/zinc/50/22/08/1047502208.db2.gz YAOYDRUDNOLDQD-UHFFFAOYSA-N 0 0 348.874 4.292 20 10 EICDRN CCOC(=O)CCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000749343830 1047505329 /nfs/dbraw/zinc/50/53/29/1047505329.db2.gz IWRYSXCKDLSZKE-UHFFFAOYSA-N 0 0 340.383 4.177 20 10 EICDRN Cc1cc(CN(Cc2ccccc2)Cc2cc(F)c(F)cc2O)on1 ZINC001142527152 1047524000 /nfs/dbraw/zinc/52/40/00/1047524000.db2.gz MGNAQCWBPHLXRD-UHFFFAOYSA-N 0 0 344.361 4.169 20 10 EICDRN Oc1cc(F)c(F)cc1CN1CCC[C@@H]1c1ccc(F)cc1F ZINC001142527277 1047526457 /nfs/dbraw/zinc/52/64/57/1047526457.db2.gz RBHSZPGKBMYOLQ-MRXNPFEDSA-N 0 0 325.305 4.286 20 10 EICDRN O=C(C1=CC(=O)CS1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000807867515 1047534835 /nfs/dbraw/zinc/53/48/35/1047534835.db2.gz DMWRYLRPTBKZQG-UHFFFAOYSA-N 0 0 344.411 4.094 20 10 EICDRN Oc1ccc(-c2ccccc2)cc1CNc1ccnn1[C@@H]1CCCOC1 ZINC000898094617 1047540823 /nfs/dbraw/zinc/54/08/23/1047540823.db2.gz CTFAWCLMCYPPPN-LJQANCHMSA-N 0 0 349.434 4.219 20 10 EICDRN CC(C)(C)c1cnc(S[C@H]2CCc3ccccc3NC2=O)s1 ZINC000790265111 1047552355 /nfs/dbraw/zinc/55/23/55/1047552355.db2.gz REPLPRJAHXRWJH-ZDUSSCGKSA-N 0 0 332.494 4.486 20 10 EICDRN CCC(CC)(C(=O)NCc1ccc(O)cc1O)c1ccc(Cl)cc1 ZINC001142533158 1047552593 /nfs/dbraw/zinc/55/25/93/1047552593.db2.gz FECFVDDVFHOCAR-UHFFFAOYSA-N 0 0 347.842 4.125 20 10 EICDRN Cc1cc(C(=O)NCc2cccc(C)n2)c(C)n1-c1ccccc1C ZINC000918647670 1047560757 /nfs/dbraw/zinc/56/07/57/1047560757.db2.gz NSMGTAOVSDMTNU-UHFFFAOYSA-N 0 0 333.435 4.036 20 10 EICDRN Cn1cc(C[NH2+]Cc2cccc(Cl)c2[O-])c(C2CCCCC2)n1 ZINC000898218231 1047569674 /nfs/dbraw/zinc/56/96/74/1047569674.db2.gz BDEHTUQCPCGVHY-UHFFFAOYSA-N 0 0 333.863 4.117 20 10 EICDRN CCn1c(C)cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000918658776 1047573079 /nfs/dbraw/zinc/57/30/79/1047573079.db2.gz TZPQINDOESQPBF-UHFFFAOYSA-N 0 0 341.499 4.242 20 10 EICDRN COc1cccc(F)c1NCc1cc(Cl)c2cccnc2c1O ZINC001168524236 1047663357 /nfs/dbraw/zinc/66/33/57/1047663357.db2.gz YEGFSMSIHTXIGO-UHFFFAOYSA-N 0 0 332.762 4.354 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(C(C)C)c(C)s2)c1 ZINC000824285864 1047848082 /nfs/dbraw/zinc/84/80/82/1047848082.db2.gz WZQLCEMEKGRLAM-SNVBAGLBSA-N 0 0 349.456 4.172 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)Nc1c(C)noc1C1CC1 ZINC000155007675 1047860254 /nfs/dbraw/zinc/86/02/54/1047860254.db2.gz BXTCXEGBFBYADZ-UHFFFAOYSA-N 0 0 329.400 4.010 20 10 EICDRN Cc1nc2ccc(/C=C3/SC(=S)N(C4CCC4)C3=O)cc2s1 ZINC000814185313 1047881931 /nfs/dbraw/zinc/88/19/31/1047881931.db2.gz CVUCTJQBDMOQAI-RIYZIHGNSA-N 0 0 346.502 4.358 20 10 EICDRN COc1ccc(N2CCC(Nc3ccccc3OCCF)CC2)cc1 ZINC000824559409 1047883826 /nfs/dbraw/zinc/88/38/26/1047883826.db2.gz SQTQKFGZZKJZDT-UHFFFAOYSA-N 0 0 344.430 4.124 20 10 EICDRN CCc1nc([C@@H]2CCCCN2Cc2cc(Cl)c(C)cc2O)no1 ZINC000824600706 1047891000 /nfs/dbraw/zinc/89/10/00/1047891000.db2.gz BNJVBRWGFVFJLN-AWEZNQCLSA-N 0 0 335.835 4.027 20 10 EICDRN COc1ccc(/C=C2\SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000814293894 1047924400 /nfs/dbraw/zinc/92/44/00/1047924400.db2.gz LROAXGAFWYYVGV-QTYNTPOMSA-N 0 0 347.505 4.475 20 10 EICDRN COc1ccccc1N1C(=O)/C(=C/c2ccccc2C)SC1=S ZINC000814272607 1047928401 /nfs/dbraw/zinc/92/84/01/1047928401.db2.gz OTZLXHCLDKQCEE-WJDWOHSUSA-N 0 0 341.457 4.409 20 10 EICDRN CC(C)[C@@H](Sc1nccs1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000919677025 1047970669 /nfs/dbraw/zinc/97/06/69/1047970669.db2.gz UPHIGTNBFNBXQS-SWLSCSKDSA-N 0 0 332.494 4.238 20 10 EICDRN CCSCc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000825068483 1048028348 /nfs/dbraw/zinc/02/83/48/1048028348.db2.gz QSZYAYZMPCDJGF-UHFFFAOYSA-N 0 0 342.508 4.388 20 10 EICDRN Cc1cc(Cl)cc([C@H](C)NCc2nc(C)c3ccccc3n2)c1O ZINC000808691582 1048038994 /nfs/dbraw/zinc/03/89/94/1048038994.db2.gz SRJLSHPOIYOCFN-LBPRGKRZSA-N 0 0 341.842 4.456 20 10 EICDRN Cc1cc(Cl)cc([C@@H](C)Nc2cnn(Cc3ccncc3)c2)c1O ZINC000808712590 1048059122 /nfs/dbraw/zinc/05/91/22/1048059122.db2.gz FTRAIOFRZUIAQP-CYBMUJFWSA-N 0 0 342.830 4.167 20 10 EICDRN COc1ccc(N[C@@H](C)c2cc(Cl)cc(C)c2O)cc1NC(C)=O ZINC000808710965 1048059745 /nfs/dbraw/zinc/05/97/45/1048059745.db2.gz QWTQAKFPBMPGME-NSHDSACASA-N 0 0 348.830 4.494 20 10 EICDRN CC(=O)N1CCc2c1cccc2N[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808715159 1048064903 /nfs/dbraw/zinc/06/49/03/1048064903.db2.gz SIWQHMSBWDHEOO-LBPRGKRZSA-N 0 0 344.842 4.436 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])[C@@H](O)c1ccccc1 ZINC000808721856 1048070749 /nfs/dbraw/zinc/07/07/49/1048070749.db2.gz ULPYJWKRIXEXEK-LYOVBCGYSA-N 0 0 340.250 4.472 20 10 EICDRN CO[C@H](C)c1nc(CN[C@H](C)c2cc(Cl)cc(C)c2O)cs1 ZINC000808701391 1048079735 /nfs/dbraw/zinc/07/97/35/1048079735.db2.gz WPSKAVZKPHCCFF-GHMZBOCLSA-N 0 0 340.876 4.369 20 10 EICDRN CSC(C)(C)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001137032257 1048088949 /nfs/dbraw/zinc/08/89/49/1048088949.db2.gz IKDQUQKMPLRYQI-UHFFFAOYSA-N 0 0 330.497 4.274 20 10 EICDRN Cc1cc(C(=O)N(C)CCc2ccccn2)c(C)n1-c1ccccc1C ZINC000217132869 1048129409 /nfs/dbraw/zinc/12/94/09/1048129409.db2.gz MOMWAZUIFQQLLX-UHFFFAOYSA-N 0 0 347.462 4.112 20 10 EICDRN CC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1C ZINC001143669405 1048142961 /nfs/dbraw/zinc/14/29/61/1048142961.db2.gz RJFPFKFENCJRRR-UHFFFAOYSA-N 0 0 347.418 4.252 20 10 EICDRN CC1CCC(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000919916700 1048290007 /nfs/dbraw/zinc/29/00/07/1048290007.db2.gz AULSJUBZLGPCLA-UHFFFAOYSA-N 0 0 343.515 4.253 20 10 EICDRN CCN(CC)c1ccc(CNCc2cccc(O)c2Cl)cc1F ZINC000815124320 1048337376 /nfs/dbraw/zinc/33/73/76/1048337376.db2.gz RZONHAKXLYMAQA-UHFFFAOYSA-N 0 0 336.838 4.321 20 10 EICDRN CC(C)(CO)[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000809655155 1048455957 /nfs/dbraw/zinc/45/59/57/1048455957.db2.gz CIGNZBLQIMIRFY-QGZVFWFLSA-N 0 0 337.822 4.034 20 10 EICDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809698574 1048459294 /nfs/dbraw/zinc/45/92/94/1048459294.db2.gz CSYZDCGSKXZIFJ-LMMKCTJWSA-N 0 0 343.854 4.050 20 10 EICDRN Cc1ccc(C(=O)Nc2ccc(OCCC(C)C)cc2F)c(O)c1O ZINC001144211903 1048498381 /nfs/dbraw/zinc/49/83/81/1048498381.db2.gz HHXSLJXQIRZSNV-UHFFFAOYSA-N 0 0 347.386 4.223 20 10 EICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000809768602 1048503114 /nfs/dbraw/zinc/50/31/14/1048503114.db2.gz QCBQMUFEJOFJNV-HNNXBMFYSA-N 0 0 341.842 4.060 20 10 EICDRN Cn1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c(C(C)(C)C)n1 ZINC000809775571 1048505616 /nfs/dbraw/zinc/50/56/16/1048505616.db2.gz DSSBKKSHFXYKAK-UHFFFAOYSA-N 0 0 342.270 4.020 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000809774344 1048506334 /nfs/dbraw/zinc/50/63/34/1048506334.db2.gz LAKAKCOBHSSGBS-UHFFFAOYSA-N 0 0 348.233 4.379 20 10 EICDRN Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815579132 1048517797 /nfs/dbraw/zinc/51/77/97/1048517797.db2.gz FPKGIYMBIYPTER-LRDDRELGSA-N 0 0 339.357 4.104 20 10 EICDRN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000815585331 1048522187 /nfs/dbraw/zinc/52/21/87/1048522187.db2.gz DVKZQPOORLKATP-HZUKXOBISA-N 0 0 331.378 4.003 20 10 EICDRN C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815586042 1048522310 /nfs/dbraw/zinc/52/23/10/1048522310.db2.gz YDUCDRPCXNNWOF-LLVKDONJSA-N 0 0 347.377 4.184 20 10 EICDRN CC[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C1CCOCC1 ZINC000815585845 1048522455 /nfs/dbraw/zinc/52/24/55/1048522455.db2.gz UKFIWHQWTBLXOG-IAQYHMDHSA-N 0 0 331.378 4.267 20 10 EICDRN CC(C)OC(=O)C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000809763554 1048524823 /nfs/dbraw/zinc/52/48/23/1048524823.db2.gz OUFAIUKZZOPEGK-KRWDZBQOSA-N 0 0 347.842 4.218 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(C(F)(F)F)c1[O-] ZINC000815589290 1048525642 /nfs/dbraw/zinc/52/56/42/1048525642.db2.gz ODSXCBUDGWNSQJ-OBCWZRDOSA-N 0 0 329.362 4.019 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(C)c(SC)c2)c1 ZINC000844841931 1048533884 /nfs/dbraw/zinc/53/38/84/1048533884.db2.gz NYXPJXUMIHRYBJ-LBPRGKRZSA-N 0 0 346.452 4.314 20 10 EICDRN C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815576452 1048539095 /nfs/dbraw/zinc/53/90/95/1048539095.db2.gz QPPLHJYUIRUAAO-RYUDHWBXSA-N 0 0 339.357 4.398 20 10 EICDRN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000844935438 1048554064 /nfs/dbraw/zinc/55/40/64/1048554064.db2.gz DWCAEVSQUCXDBA-FQEVSTJZSA-N 0 0 340.467 4.008 20 10 EICDRN C[C@@H]([NH2+]C[C@H](c1ccccc1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815630728 1048554844 /nfs/dbraw/zinc/55/48/44/1048554844.db2.gz UTHOZCWALCUMQX-FZKQIMNGSA-N 0 0 326.396 4.145 20 10 EICDRN CSc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2[O-])N(C)C)cc1 ZINC000815659464 1048560939 /nfs/dbraw/zinc/56/09/39/1048560939.db2.gz CFYMENPBALFVQC-SCLBCKFNSA-N 0 0 348.487 4.207 20 10 EICDRN COc1ccc(N(Cc2ccco2)Cc2cccnc2C)cc1F ZINC000809962682 1048570323 /nfs/dbraw/zinc/57/03/23/1048570323.db2.gz BSVLBWVFBZFKLV-UHFFFAOYSA-N 0 0 326.371 4.338 20 10 EICDRN CN(Cc1ccccc1O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809960957 1048571560 /nfs/dbraw/zinc/57/15/60/1048571560.db2.gz HUJGITFUVOLEAL-UHFFFAOYSA-N 0 0 341.194 4.239 20 10 EICDRN C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000815650344 1048574276 /nfs/dbraw/zinc/57/42/76/1048574276.db2.gz PCUVKWSPFNXWQO-QMMMGPOBSA-N 0 0 347.283 4.262 20 10 EICDRN CC[N@H+](Cc1ccccc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144299136 1048574496 /nfs/dbraw/zinc/57/44/96/1048574496.db2.gz QEFFRSCBCNUCNA-UHFFFAOYSA-N 0 0 338.220 4.316 20 10 EICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@]1(C)C[C@@H]2C=C[C@H]1C2 ZINC001144288132 1048575030 /nfs/dbraw/zinc/57/50/30/1048575030.db2.gz RDYPIFMTEMOFKV-SXGZUBKSSA-N 0 0 339.479 4.351 20 10 EICDRN Cc1ccccc1C[N@@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144300026 1048575866 /nfs/dbraw/zinc/57/58/66/1048575866.db2.gz OPVNTTOTFRVNSG-UHFFFAOYSA-N 0 0 338.220 4.234 20 10 EICDRN COc1ccccc1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001132011071 1048599961 /nfs/dbraw/zinc/59/99/61/1048599961.db2.gz DUAOVSIOEAWZDX-UHFFFAOYSA-N 0 0 348.446 4.075 20 10 EICDRN CN(C)c1ccc(CN2C(=O)S/C(=C\c3cccs3)C2=O)cc1 ZINC000920246531 1048600304 /nfs/dbraw/zinc/60/03/04/1048600304.db2.gz YHCGKMJOLGRYOD-GDNBJRDFSA-N 0 0 344.461 4.051 20 10 EICDRN CC[C@H]1CCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000815757051 1048601757 /nfs/dbraw/zinc/60/17/57/1048601757.db2.gz WGNVIGWOHDNXFX-KRWDZBQOSA-N 0 0 336.395 4.051 20 10 EICDRN CCc1ccnc(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)c1 ZINC001132044573 1048612708 /nfs/dbraw/zinc/61/27/08/1048612708.db2.gz USGMUTQNPJHORB-UHFFFAOYSA-N 0 0 347.462 4.290 20 10 EICDRN Cc1cc(CNC(=O)C2(C(F)F)CC2)c(C)n1-c1cccc(C)c1 ZINC001132043839 1048612747 /nfs/dbraw/zinc/61/27/47/1048612747.db2.gz NJKPSYONLRPAPZ-UHFFFAOYSA-N 0 0 332.394 4.064 20 10 EICDRN O=C(NCCCSc1nccs1)c1cccc2ccsc21 ZINC000768124844 1048616586 /nfs/dbraw/zinc/61/65/86/1048616586.db2.gz LMADENTWUFHBFZ-UHFFFAOYSA-N 0 0 334.491 4.270 20 10 EICDRN C/C(=C/c1ccco1)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001132048279 1048624527 /nfs/dbraw/zinc/62/45/27/1048624527.db2.gz OZMCQUAEFFNVQK-QINSGFPZSA-N 0 0 334.419 4.407 20 10 EICDRN Cc1cc(CNC(=O)COc2cccc(C)c2)c(C)n1-c1ccccc1 ZINC001132048353 1048625648 /nfs/dbraw/zinc/62/56/48/1048625648.db2.gz RKJFEUNYCPNYKF-UHFFFAOYSA-N 0 0 348.446 4.098 20 10 EICDRN Oc1ccc(Br)cc1CNc1cc(F)cc2[nH]ccc21 ZINC001171175501 1048645294 /nfs/dbraw/zinc/64/52/94/1048645294.db2.gz NVESLOVSGIGFLB-UHFFFAOYSA-N 0 0 335.176 4.387 20 10 EICDRN COc1ccc(N(C)Cc2ccc(Br)cc2)cc1OC ZINC000920418782 1048670487 /nfs/dbraw/zinc/67/04/87/1048670487.db2.gz HDAQPJMONMHPOG-UHFFFAOYSA-N 0 0 336.229 4.103 20 10 EICDRN O=C(Nc1cccc(N2CCCCC2)c1)c1cc(O)ccc1Cl ZINC000810194840 1048677014 /nfs/dbraw/zinc/67/70/14/1048677014.db2.gz NSMROTZANUGJRG-UHFFFAOYSA-N 0 0 330.815 4.288 20 10 EICDRN Cc1ccc2snc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2c1 ZINC000816180271 1048709090 /nfs/dbraw/zinc/70/90/90/1048709090.db2.gz JXCORIDVSGHAOA-CYBMUJFWSA-N 0 0 339.464 4.162 20 10 EICDRN CC[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(F)cc1[O-] ZINC000810253139 1048728595 /nfs/dbraw/zinc/72/85/95/1048728595.db2.gz MQOXKNKIKRCGLJ-CRAIPNDOSA-N 0 0 335.444 4.122 20 10 EICDRN Cc1cc(C(=O)N(C)Cc2cccnc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001135476499 1048748743 /nfs/dbraw/zinc/74/87/43/1048748743.db2.gz RUTAUSAPSSRURP-UHFFFAOYSA-N 0 0 347.462 4.378 20 10 EICDRN Cc1cc(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)n1-c1cccc(C)c1 ZINC001132263979 1048785046 /nfs/dbraw/zinc/78/50/46/1048785046.db2.gz JDTTZVBCAWHNER-UIFIKXQLSA-N 0 0 336.479 4.455 20 10 EICDRN Cc1cc(CNC(=O)[C@@H]2CCC[C@H](F)C2)c(C)n1-c1ccccc1 ZINC001132267825 1048786247 /nfs/dbraw/zinc/78/62/47/1048786247.db2.gz OMXVWLKLUXGDLR-AEFFLSMTSA-N 0 0 328.431 4.239 20 10 EICDRN Cc1ccc([C@@H](C)C(=O)NCc2cc(C)n(-c3ccccc3)c2C)o1 ZINC001132267696 1048786946 /nfs/dbraw/zinc/78/69/46/1048786946.db2.gz LYTDCWKEFUPTLI-MRXNPFEDSA-N 0 0 336.435 4.415 20 10 EICDRN CCCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC001135572023 1048804720 /nfs/dbraw/zinc/80/47/20/1048804720.db2.gz GHYYCAMNRGSHFT-UHFFFAOYSA-N 0 0 349.272 4.387 20 10 EICDRN O=C1CCCN1c1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816479941 1048810278 /nfs/dbraw/zinc/81/02/78/1048810278.db2.gz ZDTOYGYSRGLXMN-UHFFFAOYSA-N 0 0 332.403 4.284 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)nc1 ZINC000920940140 1048816386 /nfs/dbraw/zinc/81/63/86/1048816386.db2.gz XLTAMDCLJGZOAN-UHFFFAOYSA-N 0 0 346.862 4.244 20 10 EICDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cccc3cc[nH]c32)C1 ZINC001144717459 1048819120 /nfs/dbraw/zinc/81/91/20/1048819120.db2.gz SFWGDGAGKLLQCH-UHFFFAOYSA-N 0 0 345.446 4.227 20 10 EICDRN Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])s1 ZINC000816506619 1048823304 /nfs/dbraw/zinc/82/33/04/1048823304.db2.gz IIXPBMKOBMBFIX-VIFPVBQESA-N 0 0 328.840 4.451 20 10 EICDRN COc1cccc([C@H](C)Nc2cccc(OC(F)(F)F)c2)c1O ZINC000846159388 1048825991 /nfs/dbraw/zinc/82/59/91/1048825991.db2.gz NZTNUSLRGHSPDP-JTQLQIEISA-N 0 0 327.302 4.473 20 10 EICDRN COc1cccc([C@@H](C)Nc2cc(OC)c(Cl)cc2OC)c1O ZINC000846164049 1048827362 /nfs/dbraw/zinc/82/73/62/1048827362.db2.gz UOFRZJKZWLBCCI-SNVBAGLBSA-N 0 0 337.803 4.245 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000816546354 1048827773 /nfs/dbraw/zinc/82/77/73/1048827773.db2.gz HRYCJLLSHZTLCE-IBGZPJMESA-N 0 0 345.801 4.161 20 10 EICDRN CCc1c(N[C@@H](C)c2cccc(OC)c2O)cnn1CCC(C)C ZINC000846167376 1048828179 /nfs/dbraw/zinc/82/81/79/1048828179.db2.gz XMJHWJPCQQSURT-AWEZNQCLSA-N 0 0 331.460 4.379 20 10 EICDRN CCOC(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816524425 1048829330 /nfs/dbraw/zinc/82/93/30/1048829330.db2.gz FDWNLGDORJDIEV-UHFFFAOYSA-N 0 0 338.766 4.365 20 10 EICDRN COCCOc1ccc(F)cc1NCc1ccc2ccccc2c1O ZINC000816526227 1048831228 /nfs/dbraw/zinc/83/12/28/1048831228.db2.gz YEDDYFHGLUELEA-UHFFFAOYSA-N 0 0 341.382 4.322 20 10 EICDRN COc1cccc(Cl)c1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816590819 1048832145 /nfs/dbraw/zinc/83/21/45/1048832145.db2.gz MQDVMKBEMWQEAK-UHFFFAOYSA-N 0 0 330.186 4.137 20 10 EICDRN COc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1Cl ZINC000816558448 1048834017 /nfs/dbraw/zinc/83/40/17/1048834017.db2.gz ZCILIKSDMCVIOV-UHFFFAOYSA-N 0 0 330.186 4.137 20 10 EICDRN CCOCCC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC1 ZINC000816556291 1048834243 /nfs/dbraw/zinc/83/42/43/1048834243.db2.gz FIEOENBBVVIIMN-UHFFFAOYSA-N 0 0 329.843 4.261 20 10 EICDRN COc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c2ccccc2n1 ZINC000816554324 1048834387 /nfs/dbraw/zinc/83/43/87/1048834387.db2.gz VENWRXDCKDTTDF-UHFFFAOYSA-N 0 0 346.789 4.031 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1COc2c1cccc2Cl ZINC000816557532 1048834451 /nfs/dbraw/zinc/83/44/51/1048834451.db2.gz ULESCZPCKGSQMB-ZDUSSCGKSA-N 0 0 328.170 4.061 20 10 EICDRN CCN1C(=O)CCc2cc(NCc3ccc4ccccc4c3O)ccc21 ZINC000816569881 1048837195 /nfs/dbraw/zinc/83/71/95/1048837195.db2.gz ZLBRRFLTFVYJOY-UHFFFAOYSA-N 0 0 346.430 4.457 20 10 EICDRN CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000816564835 1048837367 /nfs/dbraw/zinc/83/73/67/1048837367.db2.gz RVTWKSZBIQRWST-SUMWQHHRSA-N 0 0 329.843 4.258 20 10 EICDRN CCC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H](O)c1ccccc1 ZINC000816594640 1048840265 /nfs/dbraw/zinc/84/02/65/1048840265.db2.gz KPLSCRFRJSDASW-FUHWJXTLSA-N 0 0 337.822 4.177 20 10 EICDRN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2ccccc2c1O ZINC000816608015 1048843554 /nfs/dbraw/zinc/84/35/54/1048843554.db2.gz MFTQVUJYJLRQGD-UHFFFAOYSA-N 0 0 336.391 4.128 20 10 EICDRN CC1(C)CN(Cc2cc(Br)ccc2O)[C@@H]1c1ccncc1 ZINC000816621898 1048845572 /nfs/dbraw/zinc/84/55/72/1048845572.db2.gz RKTDMLIVGINUNU-MRXNPFEDSA-N 0 0 347.256 4.133 20 10 EICDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CCC(C)(C)C3)cc2)CC1 ZINC001144772359 1048855351 /nfs/dbraw/zinc/85/53/51/1048855351.db2.gz INJCJLGUHKBMFW-SFHVURJKSA-N 0 0 328.500 4.365 20 10 EICDRN CC[C@H](C)n1ncc(C(=O)NCc2cc(Cl)ccc2O)c1C1CC1 ZINC000846474311 1048866237 /nfs/dbraw/zinc/86/62/37/1048866237.db2.gz ULJOGWDNTOUZMW-NSHDSACASA-N 0 0 347.846 4.021 20 10 EICDRN CCN(CC)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000921203400 1048867395 /nfs/dbraw/zinc/86/73/95/1048867395.db2.gz ILWJZIWYZHIQLW-UHFFFAOYSA-N 0 0 337.467 4.385 20 10 EICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1CC=CCC1 ZINC001135745575 1048880355 /nfs/dbraw/zinc/88/03/55/1048880355.db2.gz ACMNGUFHLPZOIW-SFHVURJKSA-N 0 0 326.484 4.382 20 10 EICDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000817019446 1048886127 /nfs/dbraw/zinc/88/61/27/1048886127.db2.gz JRQGXALAOYTKSW-HOSRBBHYSA-N 0 0 349.839 4.020 20 10 EICDRN CCN(Cc1ccccc1)c1ccc(C[NH2+]C(C)(C)CC(=O)[O-])cc1 ZINC000846779759 1048894991 /nfs/dbraw/zinc/89/49/91/1048894991.db2.gz MJOVPAUKXPRHJE-UHFFFAOYSA-N 0 0 340.467 4.056 20 10 EICDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2CCCCC2)c1 ZINC001135814174 1048897666 /nfs/dbraw/zinc/89/76/66/1048897666.db2.gz IALJSHWHYVVUKT-UHFFFAOYSA-N 0 0 338.451 4.217 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)c(C)s2)cc1F ZINC001144977114 1048955745 /nfs/dbraw/zinc/95/57/45/1048955745.db2.gz BDICSDSECQVFLV-UHFFFAOYSA-N 0 0 334.460 4.280 20 10 EICDRN CN(Cc1nnc(C(C)(C)C)o1)c1ccc(-c2nccs2)cc1 ZINC000846995072 1048971613 /nfs/dbraw/zinc/97/16/13/1048971613.db2.gz WZZKGLPCAFZDKG-UHFFFAOYSA-N 0 0 328.441 4.127 20 10 EICDRN CC(C)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1F ZINC001146406409 1049022001 /nfs/dbraw/zinc/02/20/01/1049022001.db2.gz FMTFIDPEDUJTKZ-MRXNPFEDSA-N 0 0 342.374 4.115 20 10 EICDRN Cc1cc(NCc2cc(C)cc(Br)c2O)nn1C(C)C ZINC000817710089 1049033658 /nfs/dbraw/zinc/03/36/58/1049033658.db2.gz HFODXBXDPHEXFR-UHFFFAOYSA-N 0 0 338.249 4.161 20 10 EICDRN Cc1ccc(C(=O)N[C@@H](c2ccccc2Cl)C(C)C)c(O)c1O ZINC001146652097 1049041398 /nfs/dbraw/zinc/04/13/98/1049041398.db2.gz DIVDMDNKOFWCDP-OAHLLOKOSA-N 0 0 333.815 4.187 20 10 EICDRN C[C@@H]1CC(CNC(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)C1 ZINC001146634303 1049041983 /nfs/dbraw/zinc/04/19/83/1049041983.db2.gz IGLDDBVOTUQKBP-QWRGUYRKSA-N 0 0 333.453 4.115 20 10 EICDRN C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955392 1049066394 /nfs/dbraw/zinc/06/63/94/1049066394.db2.gz XNQGBUAWOQAUGQ-IINYFYTJSA-N 0 0 325.239 4.050 20 10 EICDRN CC[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(F)cc1[O-] ZINC000817976455 1049075737 /nfs/dbraw/zinc/07/57/37/1049075737.db2.gz YVYXYOQLPIKYRP-IRXDYDNUSA-N 0 0 344.430 4.457 20 10 EICDRN C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(F)cc1[O-] ZINC000817975039 1049076086 /nfs/dbraw/zinc/07/60/86/1049076086.db2.gz HZUVISYJQACGEU-BDJLRTHQSA-N 0 0 330.403 4.067 20 10 EICDRN Cc1cc(-c2csc(-c3nc[nH]n3)n2)c(C)n1-c1cccc(F)c1 ZINC000818029948 1049083931 /nfs/dbraw/zinc/08/39/31/1049083931.db2.gz SERSFYFGAWOFCY-UHFFFAOYSA-N 0 0 339.399 4.142 20 10 EICDRN COc1ccc(N(C)Cc2ccnc(Cl)c2Cl)cc1OC ZINC000811489212 1049085434 /nfs/dbraw/zinc/08/54/34/1049085434.db2.gz AAKNUJYCHWNQFH-UHFFFAOYSA-N 0 0 327.211 4.042 20 10 EICDRN O=C(N[C@H]1CC=CCC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000175090882 1049085736 /nfs/dbraw/zinc/08/57/36/1049085736.db2.gz QJDJMWBGZHANNX-KRWDZBQOSA-N 0 0 328.456 4.345 20 10 EICDRN CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cc(F)ccc1F ZINC001147211120 1049106680 /nfs/dbraw/zinc/10/66/80/1049106680.db2.gz NKBOBZORNRRZLI-HNNXBMFYSA-N 0 0 346.337 4.008 20 10 EICDRN CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cc(F)ccc1F ZINC001147211121 1049107335 /nfs/dbraw/zinc/10/73/35/1049107335.db2.gz NKBOBZORNRRZLI-OAHLLOKOSA-N 0 0 346.337 4.008 20 10 EICDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000811513988 1049130170 /nfs/dbraw/zinc/13/01/70/1049130170.db2.gz YVGYIKPEVCFOGL-INIZCTEOSA-N 0 0 336.273 4.228 20 10 EICDRN 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1051468864 /nfs/dbraw/zinc/46/88/64/1051468864.db2.gz ZQUHKWIIJDKLFQ-UHFFFAOYSA-N 0 0 330.331 4.020 20 10 EICDRN COc1ccc(N(Cc2cccs2)Cc2ccnc(OC)c2)cc1 ZINC001191582661 1051481946 /nfs/dbraw/zinc/48/19/46/1051481946.db2.gz UZONEQXIUULYTI-UHFFFAOYSA-N 0 0 340.448 4.367 20 10 EICDRN Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774207361 1051501817 /nfs/dbraw/zinc/50/18/17/1051501817.db2.gz JIONZLBDKKCLJC-MEDUHNTESA-N 0 0 340.250 4.392 20 10 EICDRN Cc1cc(C(=O)Nc2c[nH]nc2Cl)c(C)n1-c1ccccc1C ZINC000774232575 1051508100 /nfs/dbraw/zinc/50/81/00/1051508100.db2.gz XXTDKWRAIIRXPG-UHFFFAOYSA-N 0 0 328.803 4.031 20 10 EICDRN Cc1cc(C(=O)Nc2c[nH]nc2Cl)c(C)n1-c1cccc(C)c1 ZINC000774231695 1051508153 /nfs/dbraw/zinc/50/81/53/1051508153.db2.gz WPBLHHXNIZPQER-UHFFFAOYSA-N 0 0 328.803 4.031 20 10 EICDRN C[S@](=O)c1ccccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001175311541 1051521465 /nfs/dbraw/zinc/52/14/65/1051521465.db2.gz SZMMWDCIZWJVKF-DEOSSOPVSA-N 0 0 337.448 4.058 20 10 EICDRN C[S@](=O)c1ccccc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001175311019 1051522292 /nfs/dbraw/zinc/52/22/92/1051522292.db2.gz GRZBCWZJVCWYAB-DEOSSOPVSA-N 0 0 336.460 4.341 20 10 EICDRN CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774257340 1051530847 /nfs/dbraw/zinc/53/08/47/1051530847.db2.gz PQVOICSNNWEOKU-AWEZNQCLSA-N 0 0 343.496 4.199 20 10 EICDRN C[C@@H](NC(=S)N[C@@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC000774259726 1051532198 /nfs/dbraw/zinc/53/21/98/1051532198.db2.gz XFMFEQDPLNJTQL-QWHCGFSZSA-N 0 0 333.526 4.100 20 10 EICDRN Cc1cnccc1CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774266882 1051535800 /nfs/dbraw/zinc/53/58/00/1051535800.db2.gz SALVLRLHDUZRNA-NSHDSACASA-N 0 0 325.239 4.296 20 10 EICDRN C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000774380750 1051568900 /nfs/dbraw/zinc/56/89/00/1051568900.db2.gz SFJREKWESGVEID-AAEUAGOBSA-N 0 0 343.298 4.367 20 10 EICDRN C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774356168 1051575102 /nfs/dbraw/zinc/57/51/02/1051575102.db2.gz NUOZDDIVEJZOEX-OQPBUACISA-N 0 0 332.252 4.145 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775491576 1051589436 /nfs/dbraw/zinc/58/94/36/1051589436.db2.gz FEYPPBXHCHVABG-GWCFXTLKSA-N 0 0 328.243 4.025 20 10 EICDRN C[C@@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc(N(C)C)cc1 ZINC000774482077 1051610011 /nfs/dbraw/zinc/61/00/11/1051610011.db2.gz FKBFTMBLECYUAQ-CABCVRRESA-N 0 0 336.439 4.214 20 10 EICDRN CCc1csc(CC2CC[NH+](Cc3cccc(F)c3[O-])CC2)n1 ZINC001182634849 1051654472 /nfs/dbraw/zinc/65/44/72/1051654472.db2.gz RAAMHRYRPSKABP-UHFFFAOYSA-N 0 0 334.460 4.005 20 10 EICDRN CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000775525644 1051726196 /nfs/dbraw/zinc/72/61/96/1051726196.db2.gz LSPNDQZGEYKTLV-JOYOIKCWSA-N 0 0 346.176 4.053 20 10 EICDRN [O-]c1c(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)ccc(F)c1F ZINC001183045663 1051768880 /nfs/dbraw/zinc/76/88/80/1051768880.db2.gz MCNGYDSJYSBZLY-LBPRGKRZSA-N 0 0 339.332 4.328 20 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SMXKQIFUUGUIEE-UHFFFAOYSA-N 0 0 340.329 4.343 20 10 EICDRN CCN(CC[NH+]1CCCCC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203582109 1051946405 /nfs/dbraw/zinc/94/64/05/1051946405.db2.gz QUIYOBFMNKLDIZ-UHFFFAOYSA-N 0 0 331.287 4.007 20 10 EICDRN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CN(Cc2ccccc2)C1 ZINC001184265911 1051979951 /nfs/dbraw/zinc/97/99/51/1051979951.db2.gz WPRQPNVDVASMLG-CRAIPNDOSA-N 0 0 344.886 4.046 20 10 EICDRN CCCCN(Cc1ccccc1O)[C@@H](C(=O)OC)c1ccccc1C ZINC001193840018 1051997266 /nfs/dbraw/zinc/99/72/66/1051997266.db2.gz VOQWHSSSRFJLRV-HXUWFJFHSA-N 0 0 341.451 4.217 20 10 EICDRN Cc1c(C)c(C)c(CC(=O)N2CCc3cccc(O)c3C2)c(C)c1C ZINC001184421654 1052009318 /nfs/dbraw/zinc/00/93/18/1052009318.db2.gz GNRUKHPMWVSVIF-UHFFFAOYSA-N 0 0 337.463 4.062 20 10 EICDRN Cc1cccc(C(C)(C)C)c1NC(=O)NCc1cccc(O)c1O ZINC001184635223 1052066185 /nfs/dbraw/zinc/06/61/85/1052066185.db2.gz DMKGQUQHJVSOLO-UHFFFAOYSA-N 0 0 328.412 4.025 20 10 EICDRN COc1ccc(N(CCC(C)C)CC(=O)NCCC(C)(C)C)cc1 ZINC001194074491 1052072013 /nfs/dbraw/zinc/07/20/13/1052072013.db2.gz WTHMLKOAZDLQOE-UHFFFAOYSA-N 0 0 334.504 4.100 20 10 EICDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001185006264 1052143383 /nfs/dbraw/zinc/14/33/83/1052143383.db2.gz RWFFRQXFXAUCOJ-QGZVFWFLSA-N 0 0 337.467 4.189 20 10 EICDRN CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774818261 1052168034 /nfs/dbraw/zinc/16/80/34/1052168034.db2.gz DCAZGGZCCTXSPD-CQSZACIVSA-N 0 0 344.411 4.110 20 10 EICDRN C[C@@H](NC(=O)Nc1cc(F)c(F)cc1F)c1ccc(N(C)C)cc1 ZINC000775605936 1052188144 /nfs/dbraw/zinc/18/81/44/1052188144.db2.gz KEJDIFJYSMEZGS-SNVBAGLBSA-N 0 0 337.345 4.053 20 10 EICDRN CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773616025 1052233295 /nfs/dbraw/zinc/23/32/95/1052233295.db2.gz GKIRTLVFYJBXCV-KRWDZBQOSA-N 0 0 339.483 4.088 20 10 EICDRN Cc1cccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2F)c1O ZINC001185636246 1052275020 /nfs/dbraw/zinc/27/50/20/1052275020.db2.gz YXYWYMHHTYUKIW-UHFFFAOYSA-N 0 0 342.292 4.180 20 10 EICDRN CCc1ncc(Cl)nc1NCc1cc(Cl)c2cccnc2c1O ZINC001168527168 1052471663 /nfs/dbraw/zinc/47/16/63/1052471663.db2.gz FAWMPJNGOCFPNU-UHFFFAOYSA-N 0 0 349.221 4.212 20 10 EICDRN Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC000072622113 1052515671 /nfs/dbraw/zinc/51/56/71/1052515671.db2.gz KBMRLWAIFYLRBC-UHFFFAOYSA-N 0 0 327.405 4.198 20 10 EICDRN C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(F)cc1[O-] ZINC000185245520 1052550168 /nfs/dbraw/zinc/55/01/68/1052550168.db2.gz WVWHRIYITGSNNP-HUUCEWRRSA-N 0 0 348.487 4.156 20 10 EICDRN CCN(CC)c1ccc(CNc2nnc(-c3ccccn3)s2)cc1 ZINC000185516578 1052622163 /nfs/dbraw/zinc/62/21/63/1052622163.db2.gz ZUYPDZFNJBDRFP-UHFFFAOYSA-N 0 0 339.468 4.058 20 10 EICDRN C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(F)cc1[O-] ZINC000185546579 1052636156 /nfs/dbraw/zinc/63/61/56/1052636156.db2.gz AMFHYNAIJRSGRS-NJSLBKSFSA-N 0 0 348.487 4.327 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(F)cc1[O-] ZINC000185616477 1052662122 /nfs/dbraw/zinc/66/21/22/1052662122.db2.gz RCLNTUGVWLUSKX-UONOGXRCSA-N 0 0 325.387 4.129 20 10 EICDRN Cc1cc(C(=O)Nc2cc(C)c(O)c(C)c2C)c(C)n1-c1ccccn1 ZINC000185799249 1052716386 /nfs/dbraw/zinc/71/63/86/1052716386.db2.gz FERXMXHWNNWLMZ-UHFFFAOYSA-N 0 0 349.434 4.372 20 10 EICDRN CC[C@H](C)CCCCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001125248946 1052716895 /nfs/dbraw/zinc/71/68/95/1052716895.db2.gz ARLJVZOCNCEKQD-SFHVURJKSA-N 0 0 346.515 4.340 20 10 EICDRN COc1cccc(N2C(=O)/C(=C\c3ccsc3)SC2=S)c1 ZINC000073139233 1052763009 /nfs/dbraw/zinc/76/30/09/1052763009.db2.gz GLPHZHFOICKKGD-NTUHNPAUSA-N 0 0 333.459 4.163 20 10 EICDRN Cc1ccc(SC[C@@H](C)NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000185933317 1052830040 /nfs/dbraw/zinc/83/00/40/1052830040.db2.gz ASFBZNBCTIWDLD-OAHLLOKOSA-N 0 0 344.480 4.023 20 10 EICDRN Cc1csc(N(C)C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000109287509 1053155071 /nfs/dbraw/zinc/15/50/71/1053155071.db2.gz UUWLUBBZDQCXOQ-UHFFFAOYSA-N 0 0 343.427 4.275 20 10 EICDRN CC[C@@H](Nc1cccc(-n2nccn2)c1)c1cc(Cl)ccc1O ZINC000864024502 1053157097 /nfs/dbraw/zinc/15/70/97/1053157097.db2.gz YTSVSDKDXBOHFO-MRXNPFEDSA-N 0 0 328.803 4.190 20 10 EICDRN CCOc1cccc(CNc2ccc(O[C@@H]3CC3(F)F)cc2)c1O ZINC000850404180 1053172935 /nfs/dbraw/zinc/17/29/35/1053172935.db2.gz YTUILBYYXUGGQW-MRXNPFEDSA-N 0 0 335.350 4.189 20 10 EICDRN COc1ccc(NCc2cc(C)cc(Br)c2O)c(F)c1 ZINC000864042379 1053184878 /nfs/dbraw/zinc/18/48/78/1053184878.db2.gz JIIYDMIZWIQPDJ-UHFFFAOYSA-N 0 0 340.192 4.223 20 10 EICDRN CC[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1[O-] ZINC000850485999 1053257094 /nfs/dbraw/zinc/25/70/94/1053257094.db2.gz PYIVDTMUYDIBCH-GFCCVEGCSA-N 0 0 345.752 4.095 20 10 EICDRN CCN(C)c1ccc([C@H](C)[NH2+]Cc2cc(OC)ccc2OC)cc1 ZINC000764750234 1053288363 /nfs/dbraw/zinc/28/83/63/1053288363.db2.gz XSOVTITWHYLQLB-HNNXBMFYSA-N 0 0 328.456 4.011 20 10 EICDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc3cc(C)ccc3o2)c1 ZINC000850531221 1053292732 /nfs/dbraw/zinc/29/27/32/1053292732.db2.gz HZTQHJZYNYKJHU-CYBMUJFWSA-N 0 0 339.391 4.084 20 10 EICDRN COc1ccnc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])c1F ZINC000850538307 1053300517 /nfs/dbraw/zinc/30/05/17/1053300517.db2.gz YHVDWLXEZMGZEB-QMMMGPOBSA-N 0 0 345.201 4.093 20 10 EICDRN CCSC1(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000850551308 1053307357 /nfs/dbraw/zinc/30/73/57/1053307357.db2.gz GSLQMSIGYLQLRR-SECBINFHSA-N 0 0 348.281 4.230 20 10 EICDRN COc1cc(N[C@H](C)c2cc(F)cc(F)c2O)ccc1OC(F)F ZINC000850563017 1053317565 /nfs/dbraw/zinc/31/75/65/1053317565.db2.gz ZVRQPRRLDLZLSC-MRVPVSSYSA-N 0 0 345.292 4.454 20 10 EICDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC(F)F)c(OC)c2)c1 ZINC000850562951 1053317606 /nfs/dbraw/zinc/31/76/06/1053317606.db2.gz YPPCWKHCKZUNNO-JTQLQIEISA-N 0 0 339.338 4.184 20 10 EICDRN COc1cccc(C2([NH2+][C@H](C)c3cc(F)cc(F)c3[O-])CCC2)c1 ZINC000850565983 1053320372 /nfs/dbraw/zinc/32/03/72/1053320372.db2.gz IVWPCPJTJGLTQS-GFCCVEGCSA-N 0 0 333.378 4.409 20 10 EICDRN O=C(NC1CCCCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000101768391 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CCc1cccc(N2C(=O)/C(=C/c3ccc(C)nc3)SC2=S)c1 ZINC000764884822 1053358952 /nfs/dbraw/zinc/35/89/52/1053358952.db2.gz GXAKMGGPJWJIMS-YBEGLDIGSA-N 0 0 340.473 4.358 20 10 EICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001195324713 1053361887 /nfs/dbraw/zinc/36/18/87/1053361887.db2.gz QWEKJHVBHGATIZ-ZWVMGRIOSA-N 0 0 329.484 4.288 20 10 EICDRN Oc1c(Br)cccc1CNc1ccc(C(F)(F)F)cn1 ZINC000764935415 1053385494 /nfs/dbraw/zinc/38/54/94/1053385494.db2.gz TWCDWZWNCTUYMD-UHFFFAOYSA-N 0 0 347.134 4.181 20 10 EICDRN CCn1c(Cc2ccccc2)nnc1Sc1ncc(Cl)s1 ZINC000765002304 1053416985 /nfs/dbraw/zinc/41/69/85/1053416985.db2.gz ZLXLUGXLKKPHRK-UHFFFAOYSA-N 0 0 336.873 4.150 20 10 EICDRN Cc1cc(Cl)cc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)c1O ZINC000775659755 1053421312 /nfs/dbraw/zinc/42/13/12/1053421312.db2.gz LRAIXGNSHSJZTJ-OAHLLOKOSA-N 0 0 347.846 4.342 20 10 EICDRN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000775665171 1053443142 /nfs/dbraw/zinc/44/31/42/1053443142.db2.gz 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ZINC001201017872 1054609093 /nfs/dbraw/zinc/60/90/93/1054609093.db2.gz YVUBKCVBBYFLJE-UHFFFAOYSA-N 0 0 337.448 4.493 20 10 EICDRN CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874005476 1054609717 /nfs/dbraw/zinc/60/97/17/1054609717.db2.gz VIJALFZNKKOBBP-AWEZNQCLSA-N 0 0 342.424 4.060 20 10 EICDRN Cc1ccc(CNC(=S)Nc2cc(Cl)cc(Cl)c2)nc1 ZINC001200999795 1054624280 /nfs/dbraw/zinc/62/42/80/1054624280.db2.gz KYSLMFWXTWEAPQ-UHFFFAOYSA-N 0 0 326.252 4.183 20 10 EICDRN C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc2ccccc2c1O ZINC000186189831 1054627085 /nfs/dbraw/zinc/62/70/85/1054627085.db2.gz DFKYYGXJGNAYHE-QKKBWIMNSA-N 0 0 339.410 4.243 20 10 EICDRN CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1c1ccccc1 ZINC000874160744 1054630811 /nfs/dbraw/zinc/63/08/11/1054630811.db2.gz JDOJNMPDGHRMKK-MRXNPFEDSA-N 0 0 336.395 4.072 20 10 EICDRN C[C@@H](c1ccccc1)N(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000874248092 1054640559 /nfs/dbraw/zinc/64/05/59/1054640559.db2.gz YAEOVVXEAVAYNO-ZDUSSCGKSA-N 0 0 336.395 4.215 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[O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000776256978 1055093256 /nfs/dbraw/zinc/09/32/56/1055093256.db2.gz UWXZALIEKZJYCC-DYVFJYSZSA-N 0 0 335.806 4.052 20 10 EICDRN Cc1ccc(O)c(CNC(=O)c2ccc(CCC(F)(F)F)cc2)c1 ZINC000862757831 1055107199 /nfs/dbraw/zinc/10/71/99/1055107199.db2.gz FUCCWFHLZKOVJL-UHFFFAOYSA-N 0 0 337.341 4.126 20 10 EICDRN Cc1c2ccccc2n(C)c1CNCc1c(F)cc(F)c(F)c1F ZINC001202278496 1055121814 /nfs/dbraw/zinc/12/18/14/1055121814.db2.gz DMENDIRMGZZXBP-UHFFFAOYSA-N 0 0 336.332 4.333 20 10 EICDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000877827746 1055130070 /nfs/dbraw/zinc/13/00/70/1055130070.db2.gz NQSGBBRJARHWGX-MRVPVSSYSA-N 0 0 348.727 4.449 20 10 EICDRN CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c(F)cc1O ZINC000877843486 1055131512 /nfs/dbraw/zinc/13/15/12/1055131512.db2.gz NRZURDAZUVPBDQ-QGZVFWFLSA-N 0 0 348.805 4.407 20 10 EICDRN C[C@H](c1ccccc1)N(Cc1nnc(C2CC2)o1)Cc1ccccc1O ZINC000119280186 1055145029 /nfs/dbraw/zinc/14/50/29/1055145029.db2.gz 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COc1ccc(O)c([C@H](C)Nc2ccc(F)cc2OC(F)F)c1 ZINC000186492130 1056561697 /nfs/dbraw/zinc/56/16/97/1056561697.db2.gz WODSKYXIAHMKNJ-VIFPVBQESA-N 0 0 327.302 4.314 20 10 EICDRN Cc1cc(C)cc(-c2ccc(C=C3SC(=S)NC3=O)cc2)c1 ZINC000741463244 1058219581 /nfs/dbraw/zinc/21/95/81/1058219581.db2.gz BRZNDMLDYRIGKH-MHWRWJLKSA-N 0 0 325.458 4.459 20 10 EICDRN Cc1cc(C(=O)CS[C@@H](C)CCO)c(C)n1-c1ccc(C)cc1 ZINC000741733141 1058352409 /nfs/dbraw/zinc/35/24/09/1058352409.db2.gz QUFJUHYDQYOTBY-HNNXBMFYSA-N 0 0 331.481 4.089 20 10 EICDRN CCc1ccc(NC(=S)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000741877038 1058434620 /nfs/dbraw/zinc/43/46/20/1058434620.db2.gz WCSASJPEEXZLFW-UHFFFAOYSA-N 0 0 340.492 4.320 20 10 EICDRN CCCCS[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742469009 1058640398 /nfs/dbraw/zinc/64/03/98/1058640398.db2.gz WTLKTGZFMIJLNL-INIZCTEOSA-N 0 0 334.529 4.215 20 10 EICDRN Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1F ZINC000742475488 1058641571 /nfs/dbraw/zinc/64/15/71/1058641571.db2.gz CYUUUGOHUYUKCC-UHFFFAOYSA-N 0 0 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EICDRN CC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@H]1CCCCO1 ZINC001130283142 1046927682 /nfs/dbraw/zinc/92/76/82/1046927682.db2.gz ZPAMBFRVIDTOQX-WOJBJXKFSA-N 0 0 340.467 4.172 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)Cc1ccco1 ZINC000917513663 1046935102 /nfs/dbraw/zinc/93/51/02/1046935102.db2.gz QADYOFRCYAFYMI-GFCCVEGCSA-N 0 0 328.437 4.110 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)Cc1ccco1 ZINC000917513664 1046935326 /nfs/dbraw/zinc/93/53/26/1046935326.db2.gz QADYOFRCYAFYMI-LBPRGKRZSA-N 0 0 328.437 4.110 20 10 EICDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cc(Cl)cc(Cl)c1 ZINC000917517436 1046937005 /nfs/dbraw/zinc/93/70/05/1046937005.db2.gz PEPOOWALRAKHSZ-MDWZMJQESA-N 0 0 341.263 4.450 20 10 EICDRN CC(C)c1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1Cl ZINC000787254401 1046957127 /nfs/dbraw/zinc/95/71/27/1046957127.db2.gz WFQIOEYIPGPGIX-LBPRGKRZSA-N 0 0 347.842 4.236 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CC2CCCCC2)c1 ZINC000787377469 1046998337 /nfs/dbraw/zinc/99/83/37/1046998337.db2.gz NWKIZAYEUXUVFS-ZIAGYGMSSA-N 0 0 334.460 4.120 20 10 EICDRN CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000787416432 1047003378 /nfs/dbraw/zinc/00/33/78/1047003378.db2.gz FSOGYQONNDEQOU-LLVKDONJSA-N 0 0 325.733 4.348 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)c2cncc3ccccc32)cc1 ZINC000917628556 1047034505 /nfs/dbraw/zinc/03/45/05/1047034505.db2.gz PMPBWZWLMLBDIE-UHFFFAOYSA-N 0 0 347.462 4.353 20 10 EICDRN CN1CCCc2cc(CNc3ncnc4cc(Cl)ccc43)ccc21 ZINC000746718431 1047074441 /nfs/dbraw/zinc/07/44/41/1047074441.db2.gz GPFHJNCMLFIYCO-UHFFFAOYSA-N 0 0 338.842 4.278 20 10 EICDRN Cc1ccc(/C=C/C(=O)N2CCCSc3ccc(F)cc32)cn1 ZINC000787986440 1047085448 /nfs/dbraw/zinc/08/54/48/1047085448.db2.gz DPCAAHKTTJGXNL-VMPITWQZSA-N 0 0 328.412 4.071 20 10 EICDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCCSc2ccc(F)cc21 ZINC000787987696 1047086031 /nfs/dbraw/zinc/08/60/31/1047086031.db2.gz LFSAIJOFWJZODA-XVNBXDOJSA-N 0 0 348.830 4.416 20 10 EICDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCCSc2ccc(F)cc21 ZINC000787987693 1047086447 /nfs/dbraw/zinc/08/64/47/1047086447.db2.gz LFSAIJOFWJZODA-CLTKARDFSA-N 0 0 348.830 4.416 20 10 EICDRN Cc1nnc([C@H](C)NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)[nH]1 ZINC000806101799 1047117679 /nfs/dbraw/zinc/11/76/79/1047117679.db2.gz RBZGDBDMVBIQQH-LBPRGKRZSA-N 0 0 349.398 4.411 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(Cl)c1[O-] ZINC000806134654 1047128670 /nfs/dbraw/zinc/12/86/70/1047128670.db2.gz AFLMKWHARPZHSB-MRXNPFEDSA-N 0 0 336.838 4.492 20 10 EICDRN CC[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1[O-] ZINC000806132136 1047129895 /nfs/dbraw/zinc/12/98/95/1047129895.db2.gz RJYHGHOKIRJHGJ-SFHVURJKSA-N 0 0 341.842 4.472 20 10 EICDRN CC[C@H]([NH2+]CCc1ccc(OC)cc1OC)c1cccc(Cl)c1[O-] ZINC000806135701 1047132945 /nfs/dbraw/zinc/13/29/45/1047132945.db2.gz NUUWJRAZALTFIU-KRWDZBQOSA-N 0 0 349.858 4.346 20 10 EICDRN CC[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138653 1047136305 /nfs/dbraw/zinc/13/63/05/1047136305.db2.gz YUEYBXQBGRTQAK-BONVTDFDSA-N 0 0 331.287 4.222 20 10 EICDRN CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1cccc(Cl)c1[O-] ZINC000806129747 1047151873 /nfs/dbraw/zinc/15/18/73/1047151873.db2.gz JGKHLSHANIZGNZ-IUODEOHRSA-N 0 0 348.878 4.165 20 10 EICDRN CC[C@@H]([NH2+]Cc1cccnc1OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129329 1047152063 /nfs/dbraw/zinc/15/20/63/1047152063.db2.gz DVOAWUFILYJRPY-CQSZACIVSA-N 0 0 341.238 4.344 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cccc(Cl)c1[O-] ZINC000806128208 1047153131 /nfs/dbraw/zinc/15/31/31/1047153131.db2.gz HVQWHQGTRGLLTG-CABCVRRESA-N 0 0 338.904 4.451 20 10 EICDRN CC[C@H]([NH2+]CCc1ccccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806128218 1047153423 /nfs/dbraw/zinc/15/34/23/1047153423.db2.gz ICZGSFNLSSCQHU-HNNXBMFYSA-N 0 0 325.239 4.377 20 10 EICDRN CC[C@H](Nc1cccc(C(=O)N(C)CC)c1)c1ccc(N(C)C)cc1 ZINC000806169713 1047156024 /nfs/dbraw/zinc/15/60/24/1047156024.db2.gz JOOZTPHVDFUEHH-FQEVSTJZSA-N 0 0 339.483 4.408 20 10 EICDRN CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Cl)c1[O-] ZINC000806139286 1047163397 /nfs/dbraw/zinc/16/33/97/1047163397.db2.gz MTUICHNOKGCHHG-IINYFYTJSA-N 0 0 345.830 4.429 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140796 1047165819 /nfs/dbraw/zinc/16/58/19/1047165819.db2.gz MQNITUVMPCZEHQ-ZIAGYGMSSA-N 0 0 344.238 4.375 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1cccc(Cl)c1[O-] ZINC000806141147 1047168849 /nfs/dbraw/zinc/16/88/49/1047168849.db2.gz GUXXQWIDFMVCJS-GTNSWQLSSA-N 0 0 335.879 4.068 20 10 EICDRN CC[C@H](Nc1cccc(N2CCOCC2)c1)c1cccc(Cl)c1O ZINC000806151628 1047175754 /nfs/dbraw/zinc/17/57/54/1047175754.db2.gz OFHMFFTYMRBWQI-SFHVURJKSA-N 0 0 346.858 4.445 20 10 EICDRN CC[C@H](Nc1cnn(-c2ccccn2)c1)c1cccc(Cl)c1O ZINC000806156095 1047180064 /nfs/dbraw/zinc/18/00/64/1047180064.db2.gz XTTCDONVWPKYBJ-HNNXBMFYSA-N 0 0 328.803 4.190 20 10 EICDRN CC[C@H]([NH2+]CC1(CO)CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806160518 1047184044 /nfs/dbraw/zinc/18/40/44/1047184044.db2.gz SVJFMDQLWNWEJR-AWEZNQCLSA-N 0 0 332.271 4.292 20 10 EICDRN CCc1ccc([C@H](O)C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])cc1 ZINC000806165155 1047188719 /nfs/dbraw/zinc/18/87/19/1047188719.db2.gz DESFZBOSFZSSLA-QZTJIDSGSA-N 0 0 333.859 4.382 20 10 EICDRN Cc1cc(Br)cc([C@@H](C)N[C@@H]2CCCC2(F)F)c1O ZINC000806180350 1047191510 /nfs/dbraw/zinc/19/15/10/1047191510.db2.gz NEFLPDATDFFJOA-BXKDBHETSA-N 0 0 334.204 4.302 20 10 EICDRN CO[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccccc1 ZINC000788561175 1047224214 /nfs/dbraw/zinc/22/42/14/1047224214.db2.gz FYGXBXIAOWTAFS-MLGOLLRUSA-N 0 0 339.357 4.449 20 10 EICDRN CCCc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1Cl ZINC000788526094 1047225191 /nfs/dbraw/zinc/22/51/91/1047225191.db2.gz GYUWONJLKOVIDK-GFCCVEGCSA-N 0 0 347.842 4.065 20 10 EICDRN C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC000788561653 1047225737 /nfs/dbraw/zinc/22/57/37/1047225737.db2.gz GSIUJLJJZOIPRH-VXGBXAGGSA-N 0 0 339.357 4.315 20 10 EICDRN C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC000788561649 1047226253 /nfs/dbraw/zinc/22/62/53/1047226253.db2.gz GSIUJLJJZOIPRH-NWDGAFQWSA-N 0 0 339.357 4.315 20 10 EICDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2cc[nH]c2c1 ZINC000470119610 1047244153 /nfs/dbraw/zinc/24/41/53/1047244153.db2.gz IRPADVAIRMPDRS-UHFFFAOYSA-N 0 0 332.407 4.290 20 10 EICDRN C[C@H]([NH2+]CCCOCC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000788646098 1047248793 /nfs/dbraw/zinc/24/87/93/1047248793.db2.gz JMVZLJVJWZGEQU-VIFPVBQESA-N 0 0 345.283 4.031 20 10 EICDRN CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@H](O)c1ccccc1 ZINC000788622331 1047251661 /nfs/dbraw/zinc/25/16/61/1047251661.db2.gz QXBKXBJQMAZWIX-UYHISHBKSA-N 0 0 335.394 4.079 20 10 EICDRN Cc1cc2c(cc1C)N(C(=O)NCc1ccc(N3CCCC3)cc1)CC2 ZINC000806432763 1047255576 /nfs/dbraw/zinc/25/55/76/1047255576.db2.gz AWSWNQHHXWQZCE-UHFFFAOYSA-N 0 0 349.478 4.176 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788669962 1047267341 /nfs/dbraw/zinc/26/73/41/1047267341.db2.gz HASSWCSACWGQGN-NWDGAFQWSA-N 0 0 329.362 4.163 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000746759110 1047276467 /nfs/dbraw/zinc/27/64/67/1047276467.db2.gz OLTGUEJCXCRZQR-UHFFFAOYSA-N 0 0 329.488 4.149 20 10 EICDRN CN(C)c1ccc(CN(C(=O)Nc2cccc(F)c2)C2CC2)cc1 ZINC000918024860 1047279757 /nfs/dbraw/zinc/27/97/57/1047279757.db2.gz CNLXURVEXYBXHK-UHFFFAOYSA-N 0 0 327.403 4.088 20 10 EICDRN C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])c1nccs1 ZINC000788735448 1047297260 /nfs/dbraw/zinc/29/72/60/1047297260.db2.gz AYDSZYXUNBCDAI-NXEZZACHSA-N 0 0 330.375 4.322 20 10 EICDRN CCC(CC)(C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C(=O)OC ZINC000788735467 1047297560 /nfs/dbraw/zinc/29/75/60/1047297560.db2.gz BKSSLMJKUMAVSF-LLVKDONJSA-N 0 0 347.377 4.041 20 10 EICDRN CC(=Cc1cccc(C(F)(F)F)c1)C=C1SC(=S)NC1=O ZINC000806569390 1047312534 /nfs/dbraw/zinc/31/25/34/1047312534.db2.gz SLUYPFXLRJGBBH-CZDIAPPSSA-N 0 0 329.368 4.141 20 10 EICDRN C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788776498 1047312733 /nfs/dbraw/zinc/31/27/33/1047312733.db2.gz OVSFBXMURSHKKA-JSGCOSHPSA-N 0 0 342.405 4.079 20 10 EICDRN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC000788778276 1047313061 /nfs/dbraw/zinc/31/30/61/1047313061.db2.gz XQRCSNOFKKKAAK-BLLLJJGKSA-N 0 0 339.357 4.104 20 10 EICDRN CCOC[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])C(C)C ZINC000788984600 1047339449 /nfs/dbraw/zinc/33/94/49/1047339449.db2.gz LAVCSRGTRKYBHQ-QMTHXVAHSA-N 0 0 348.256 4.006 20 10 EICDRN CCc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1Cl ZINC000806679923 1047344795 /nfs/dbraw/zinc/34/47/95/1047344795.db2.gz NKJJBDXIIAOTEE-LLVKDONJSA-N 0 0 348.830 4.066 20 10 EICDRN C[C@H](OC1CCCCCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000760365903 1047346185 /nfs/dbraw/zinc/34/61/85/1047346185.db2.gz RCDKNJAWOVDRKE-KRWDZBQOSA-N 0 0 344.499 4.031 20 10 EICDRN CC(C)CCC[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000918149837 1047358519 /nfs/dbraw/zinc/35/85/19/1047358519.db2.gz ZCTFUBMPPVYCCG-KRWDZBQOSA-N 0 0 331.504 4.301 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccc3[nH]ccc32)cc1 ZINC000747349631 1047359877 /nfs/dbraw/zinc/35/98/77/1047359877.db2.gz GRVRLDHIVZVNFS-UHFFFAOYSA-N 0 0 335.451 4.286 20 10 EICDRN CC(C)[C@@H]1CCCN1c1ccc(NC(=O)C2=CC(=O)CS2)cc1F ZINC000760433151 1047366204 /nfs/dbraw/zinc/36/62/04/1047366204.db2.gz FDYXXKUAHWVJCB-HNNXBMFYSA-N 0 0 348.443 4.470 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000918201035 1047379425 /nfs/dbraw/zinc/37/94/25/1047379425.db2.gz MLRZIDYSCXGPPE-FQEVSTJZSA-N 0 0 337.467 4.020 20 10 EICDRN COc1ccc(N(C)C(=O)Cc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC001130770543 1047380456 /nfs/dbraw/zinc/38/04/56/1047380456.db2.gz DMZGLUFOMMVDMH-UHFFFAOYSA-N 0 0 348.446 4.308 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000807109162 1047413714 /nfs/dbraw/zinc/41/37/14/1047413714.db2.gz CDQMCNPAHLKCQS-LPHOPBHVSA-N 0 0 331.504 4.253 20 10 EICDRN C[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(F)cc1 ZINC000746814205 1047424843 /nfs/dbraw/zinc/42/48/43/1047424843.db2.gz GHQPDEKDGVQXEA-HNNXBMFYSA-N 0 0 340.442 4.018 20 10 EICDRN Nc1ccc(CCNC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)cc1 ZINC000841955398 1047437486 /nfs/dbraw/zinc/43/74/86/1047437486.db2.gz ANRSAIYWELCOFS-HXUWFJFHSA-N 0 0 349.478 4.138 20 10 EICDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000749341403 1047452705 /nfs/dbraw/zinc/45/27/05/1047452705.db2.gz YUALLXRNGIZVQI-QGZVFWFLSA-N 0 0 328.500 4.462 20 10 EICDRN CCCN(CCC)c1ccc(CNc2nnc(C)n2C2CC2)cc1 ZINC000789895845 1047488400 /nfs/dbraw/zinc/48/84/00/1047488400.db2.gz LMKMZSDILIIYQI-UHFFFAOYSA-N 0 0 327.476 4.160 20 10 EICDRN C[N@H+](Cc1ccc(Br)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001142520732 1047489920 /nfs/dbraw/zinc/48/99/20/1047489920.db2.gz OSQXVAYMDVGJCJ-UHFFFAOYSA-N 0 0 342.183 4.065 20 10 EICDRN OCCCCSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000789908949 1047490082 /nfs/dbraw/zinc/49/00/82/1047490082.db2.gz SDLWZAAVSZTBNC-UHFFFAOYSA-N 0 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4.195 20 10 EICDRN [O-]c1c(Cl)cccc1C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000809768339 1048501390 /nfs/dbraw/zinc/50/13/90/1048501390.db2.gz INIUHQPILBZRSL-DZGCQCFKSA-N 0 0 349.883 4.046 20 10 EICDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1nccn1-c1ccccc1 ZINC000809769647 1048503433 /nfs/dbraw/zinc/50/34/33/1048503433.db2.gz QDBDZDPEJYDMSZ-LBPRGKRZSA-N 0 0 345.805 4.221 20 10 EICDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000809775843 1048508961 /nfs/dbraw/zinc/50/89/61/1048508961.db2.gz LISKROPEYFADMO-VIFPVBQESA-N 0 0 342.222 4.264 20 10 EICDRN COc1cccc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000815560900 1048509832 /nfs/dbraw/zinc/50/98/32/1048509832.db2.gz TYJJJFAHLHDYKS-LBPRGKRZSA-N 0 0 339.357 4.313 20 10 EICDRN CC[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1O)C(=O)OC(C)(C)C ZINC000815589450 1048526177 /nfs/dbraw/zinc/52/61/77/1048526177.db2.gz SROPAFOXJROKGZ-ZWNOBZJWSA-N 0 0 347.377 4.182 20 10 EICDRN Cc1ncc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000815596774 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/nfs/dbraw/zinc/11/60/78/1053116078.db2.gz HNIWSAHHLGFDFM-BJMVGYQFSA-N 0 0 349.789 4.373 20 10 EICDRN O=[N+]([O-])c1ccc(NCc2ccc3cccnc3c2O)c(Cl)c1 ZINC000864019834 1053150162 /nfs/dbraw/zinc/15/01/62/1053150162.db2.gz RBUNGOLBLHIWOA-UHFFFAOYSA-N 0 0 329.743 4.114 20 10 EICDRN COc1ccc([N+](=O)[O-])cc1CN(C)c1ccc(OC(C)C)cc1 ZINC000864027038 1053161191 /nfs/dbraw/zinc/16/11/91/1053161191.db2.gz POVUYVHHTXVWRE-UHFFFAOYSA-N 0 0 330.384 4.027 20 10 EICDRN CCc1cccc(CNc2ccc([C@H](O)C(F)(F)F)cc2)c1O ZINC000864043910 1053184552 /nfs/dbraw/zinc/18/45/52/1053184552.db2.gz PCUYEMOZGWFSDW-INIZCTEOSA-N 0 0 325.330 4.162 20 10 EICDRN C[C@H](NC(=O)CC1(C)CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000119816470 1053198051 /nfs/dbraw/zinc/19/80/51/1053198051.db2.gz XRPWJCVUASVXBI-KRWDZBQOSA-N 0 0 344.499 4.061 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(-c3ccco3)s2)cc1 ZINC000764629166 1053236472 /nfs/dbraw/zinc/23/64/72/1053236472.db2.gz KYYPFXHCDARBDX-UHFFFAOYSA-N 0 0 340.448 4.346 20 10 EICDRN Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000764631119 1053243310 /nfs/dbraw/zinc/24/33/10/1053243310.db2.gz VURIOEOAZXIRPG-UHFFFAOYSA-N 0 0 335.451 4.123 20 10 EICDRN CCN1C(=O)/C(=C/c2ccccc2CC(F)(F)F)SC1=S ZINC000864362608 1053253034 /nfs/dbraw/zinc/25/30/34/1053253034.db2.gz HKAAOUQKSBPPKM-XFFZJAGNSA-N 0 0 331.384 4.013 20 10 EICDRN CCN(Cc1c(O)ccc2ccc(OC)cc21)[C@H](C)C(F)(F)F ZINC000794676146 1053260064 /nfs/dbraw/zinc/26/00/64/1053260064.db2.gz DHUYXOAETZUMGE-LLVKDONJSA-N 0 0 327.346 4.327 20 10 EICDRN C[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])c1cscn1 ZINC000850512143 1053267896 /nfs/dbraw/zinc/26/78/96/1053267896.db2.gz WRGOFCCZPYOGFE-HTQZYQBOSA-N 0 0 345.237 4.162 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000850541174 1053303167 /nfs/dbraw/zinc/30/31/67/1053303167.db2.gz SPLUGDUQECLCSW-FHLIZLRMSA-N 0 0 347.890 4.231 20 10 EICDRN CC[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850555211 1053309063 /nfs/dbraw/zinc/30/90/63/1053309063.db2.gz NMLVKJQEHAUUCB-QIMFLAQGSA-N 0 0 332.271 4.291 20 10 EICDRN CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cccc(Cl)c1[O-] ZINC000775644365 1053312512 /nfs/dbraw/zinc/31/25/12/1053312512.db2.gz JEOIAGYXQQDLNC-UHFFFAOYSA-N 0 0 335.831 4.085 20 10 EICDRN C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1[O-] ZINC000850555531 1053313516 /nfs/dbraw/zinc/31/35/16/1053313516.db2.gz HRVRXPKFYRTNOJ-ABKXIKBNSA-N 0 0 344.213 4.222 20 10 EICDRN COc1ccc(O)c([C@H](C)Nc2ccc(O[C@@H]3CC3(F)F)cc2)c1 ZINC000850564334 1053317798 /nfs/dbraw/zinc/31/77/98/1053317798.db2.gz QEGHQOJHYMHAGH-APPDUMDISA-N 0 0 335.350 4.360 20 10 EICDRN C[C@@H]([NH2+]CCC1SCCS1)c1cccc(C(F)(F)F)c1[O-] ZINC000850569047 1053322823 /nfs/dbraw/zinc/32/28/23/1053322823.db2.gz ROVVXKCFWGNBIG-SECBINFHSA-N 0 0 337.432 4.258 20 10 EICDRN CC[C@@H](N[C@@H](c1nccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764809142 1053323032 /nfs/dbraw/zinc/32/30/32/1053323032.db2.gz ICRWARHISJJFAD-NHCUHLMSSA-N 0 0 348.494 4.316 20 10 EICDRN C[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000101794793 1053327824 /nfs/dbraw/zinc/32/78/24/1053327824.db2.gz BTFQJKSWLGDXQS-NVXWUHKLSA-N 0 0 342.439 4.276 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)CCc2ccc(C(F)F)cc2)cc1 ZINC000864633480 1053328948 /nfs/dbraw/zinc/32/89/48/1053328948.db2.gz HVDPSZKOMFUKPI-UHFFFAOYSA-N 0 0 346.421 4.281 20 10 EICDRN C[C@@H](NC(=O)Oc1ccccc1C(F)(F)F)c1ccccc1O ZINC001195210396 1053332389 /nfs/dbraw/zinc/33/23/89/1053332389.db2.gz PBUIVJMAFHMQMN-SNVBAGLBSA-N 0 0 325.286 4.261 20 10 EICDRN Cc1cc(C)cc(C2(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)c1 ZINC000109461647 1053339020 /nfs/dbraw/zinc/33/90/20/1053339020.db2.gz BXPRCCKQKISNEN-UHFFFAOYSA-N 0 0 348.490 4.034 20 10 EICDRN COc1ccccc1-c1noc(-c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000109457771 1053340740 /nfs/dbraw/zinc/34/07/40/1053340740.db2.gz WPBQZKLHWMASBM-UHFFFAOYSA-N 0 0 346.390 4.215 20 10 EICDRN O=C(c1ccccc1NN=C1C=CC(=O)C=C1)N1CCCC(=O)CC1 ZINC001195262606 1053350694 /nfs/dbraw/zinc/35/06/94/1053350694.db2.gz PXTAPPWMHOGZOM-QZQOTICOSA-N 0 0 337.379 4.003 20 10 EICDRN Cn1cccc1CNC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195274807 1053357015 /nfs/dbraw/zinc/35/70/15/1053357015.db2.gz KAXGKWYJPFYZOR-QURGRASLSA-N 0 0 334.379 4.076 20 10 EICDRN O=C(NC[C@H]1C[C@H](F)C1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195279806 1053357864 /nfs/dbraw/zinc/35/78/64/1053357864.db2.gz SGVQOQLAZFVOGJ-AFGOIKGFSA-N 0 0 327.359 4.286 20 10 EICDRN C[C@@H](NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1)c1cnn(C)c1 ZINC001195279467 1053358505 /nfs/dbraw/zinc/35/85/05/1053358505.db2.gz QDQGYUAMXJNAQS-IKYLFJRQSA-N 0 0 349.394 4.032 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)cc1OC ZINC000764896824 1053361929 /nfs/dbraw/zinc/36/19/29/1053361929.db2.gz HUYHAYDQHBDMBB-UHFFFAOYSA-N 0 0 346.858 4.077 20 10 EICDRN COc1ccc(CNC(=O)Nc2ccc(Cl)cc2Cl)c(O)c1 ZINC000794761524 1053371547 /nfs/dbraw/zinc/37/15/47/1053371547.db2.gz FSZVXYKFVNOVIH-UHFFFAOYSA-N 0 0 341.194 4.029 20 10 EICDRN O=[N+]([O-])c1cccc(C[N@@H+](Cc2cccc(Cl)c2[O-])C2CC2)c1 ZINC000775650499 1053382649 /nfs/dbraw/zinc/38/26/49/1053382649.db2.gz DYKYKJZKHLTFHE-UHFFFAOYSA-N 0 0 332.787 4.118 20 10 EICDRN Oc1c(Br)cccc1CNc1ccc2ccccc2n1 ZINC000764935592 1053385692 /nfs/dbraw/zinc/38/56/92/1053385692.db2.gz ZAJFZZLJMYESRY-UHFFFAOYSA-N 0 0 329.197 4.315 20 10 EICDRN CCOc1cccc(CNc2ccccc2N2CCCCC2)c1O ZINC000120294997 1053389343 /nfs/dbraw/zinc/38/93/43/1053389343.db2.gz IDBPATBWNZDBJK-UHFFFAOYSA-N 0 0 326.440 4.393 20 10 EICDRN CCC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])[C@H](O)c1ccccc1 ZINC000794830794 1053443973 /nfs/dbraw/zinc/44/39/73/1053443973.db2.gz LIXJLQDVQUBJQN-OCBCSQNSSA-N 0 0 335.394 4.223 20 10 EICDRN COc1ccc(N(C)CCOc2ccccc2C(F)(F)F)cc1 ZINC001195818582 1053499786 /nfs/dbraw/zinc/49/97/86/1053499786.db2.gz GVCSSNBLSSSCNG-UHFFFAOYSA-N 0 0 325.330 4.229 20 10 EICDRN CCCN(Cc1csc([C@H](C)OCC)n1)Cc1ccccc1O ZINC000120622846 1053546711 /nfs/dbraw/zinc/54/67/11/1053546711.db2.gz IWTOTNVHJPHQLM-AWEZNQCLSA-N 0 0 334.485 4.358 20 10 EICDRN Cc1cc(Cl)cc(CN2CCO[C@@H](c3ccccc3F)C2)c1O ZINC000775678715 1053553730 /nfs/dbraw/zinc/55/37/30/1053553730.db2.gz IVSNRDVRJVUGDS-QGZVFWFLSA-N 0 0 335.806 4.067 20 10 EICDRN Cc1cc(Cl)cc(CN2CCO[C@H](c3cccc(F)c3)C2)c1O ZINC000775678629 1053554253 /nfs/dbraw/zinc/55/42/53/1053554253.db2.gz HGXWDFQYHJAVJN-KRWDZBQOSA-N 0 0 335.806 4.067 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc[nH]c2C(C)C)cc1 ZINC000794852648 1053557971 /nfs/dbraw/zinc/55/79/71/1053557971.db2.gz OHOZJOHABIBLCN-UHFFFAOYSA-N 0 0 327.472 4.257 20 10 EICDRN C[C@H](NC(=O)NCc1ccc2occc2c1)c1ccc(N(C)C)cc1 ZINC000852261713 1053563497 /nfs/dbraw/zinc/56/34/97/1053563497.db2.gz UJJCAYFZGWEZAH-AWEZNQCLSA-N 0 0 337.423 4.059 20 10 EICDRN Cc1cc(F)ccc1NC(=S)NCc1cc2ccccc2cn1 ZINC001196136982 1053587896 /nfs/dbraw/zinc/58/78/96/1053587896.db2.gz QYHUNSYFWSQJKM-UHFFFAOYSA-N 0 0 325.412 4.169 20 10 EICDRN Cc1cc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1N ZINC000853247796 1053659689 /nfs/dbraw/zinc/65/96/89/1053659689.db2.gz BHWMUUOTCMBNKY-UHFFFAOYSA-N 0 0 340.427 4.088 20 10 EICDRN CC1CCN(c2ccc(CNc3cc(=O)[nH]c4cccnc34)cc2)CC1 ZINC000853300718 1053665905 /nfs/dbraw/zinc/66/59/05/1053665905.db2.gz ZOHKPRIIHVTDGZ-UHFFFAOYSA-N 0 0 348.450 4.184 20 10 EICDRN Cc1cccc([C@@H]2CCCCN2C(=O)c2cccc(O)c2O)c1C ZINC000776665897 1053674132 /nfs/dbraw/zinc/67/41/32/1053674132.db2.gz DARMPMNSTBDCLV-KRWDZBQOSA-N 0 0 325.408 4.082 20 10 EICDRN CC(C)(C)c1cnc(Sc2nc(C3CCOCC3)ns2)s1 ZINC000853447118 1053676208 /nfs/dbraw/zinc/67/62/08/1053676208.db2.gz SBZVFOORJRVOPE-UHFFFAOYSA-N 0 0 341.527 4.337 20 10 EICDRN C[C@@H](c1cccs1)N1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000102486577 1053696167 /nfs/dbraw/zinc/69/61/67/1053696167.db2.gz VEPKOFGMJHKRAD-AAIQCTMTSA-N 0 0 332.475 4.106 20 10 EICDRN Cc1cc(C(=O)CSCC2(C)COC2)c(C)n1-c1ccccc1 ZINC000853789815 1053713002 /nfs/dbraw/zinc/71/30/02/1053713002.db2.gz HPLSKQBGMZFZHY-UHFFFAOYSA-N 0 0 329.465 4.047 20 10 EICDRN Cc1cc(CC(=O)Nc2cccc3c2OCO3)c(C)n1-c1ccccc1 ZINC001127903648 1053719220 /nfs/dbraw/zinc/71/92/20/1053719220.db2.gz WSHIKXANXVGDGS-UHFFFAOYSA-N 0 0 348.402 4.004 20 10 EICDRN COc1cccc([C@@H](C)Nc2ccc([C@@H](O)C(F)(F)F)cc2)c1O ZINC000866417849 1053722564 /nfs/dbraw/zinc/72/25/64/1053722564.db2.gz FGDHEYOAIVOVBJ-QLJPJBMISA-N 0 0 341.329 4.170 20 10 EICDRN CCOCc1cc(CNC(C)(C)c2nc(C)cs2)ccc1OC ZINC000172079091 1053767950 /nfs/dbraw/zinc/76/79/50/1053767950.db2.gz WJWJYQACUFOXGI-UHFFFAOYSA-N 0 0 334.485 4.022 20 10 EICDRN C[C@H](O)[C@H]1CCCN1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000854173603 1053774435 /nfs/dbraw/zinc/77/44/35/1053774435.db2.gz PVMVAPFMJAJNHF-KBXCAEBGSA-N 0 0 338.411 4.479 20 10 EICDRN C[C@H]([NH2+]CCSCCC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000866543475 1053778465 /nfs/dbraw/zinc/77/84/65/1053778465.db2.gz RDILQAOBADGQPF-QMMMGPOBSA-N 0 0 329.334 4.007 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000854228181 1053785811 /nfs/dbraw/zinc/78/58/11/1053785811.db2.gz ZKFXSEXUWSCQRE-MGPLVRAMSA-N 0 0 336.357 4.331 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000866613957 1053805276 /nfs/dbraw/zinc/80/52/76/1053805276.db2.gz KGGAWPUCSZKDDA-CABZTGNLSA-N 0 0 328.243 4.234 20 10 EICDRN CC[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000866613077 1053806417 /nfs/dbraw/zinc/80/64/17/1053806417.db2.gz FNSOFMKABBVEDD-TVQRCGJNSA-N 0 0 328.243 4.234 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000866632872 1053812018 /nfs/dbraw/zinc/81/20/18/1053812018.db2.gz CZBHDOQXGJURQO-TVQRCGJNSA-N 0 0 326.227 4.081 20 10 EICDRN Cn1cnc2cc(NCc3ccc(C(=O)OC(C)(C)C)cc3)ccc21 ZINC000765638631 1053829301 /nfs/dbraw/zinc/82/93/01/1053829301.db2.gz KBXSMZMPBSLLKE-UHFFFAOYSA-N 0 0 337.423 4.141 20 10 EICDRN CCOc1ccc(C)c(C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1 ZINC001197141398 1053837556 /nfs/dbraw/zinc/83/75/56/1053837556.db2.gz OXHLJTIVXXMQRE-UHFFFAOYSA-N 0 0 340.467 4.122 20 10 EICDRN CSCCCNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197186364 1053843215 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ZINC000770779597 1046269871 /nfs/dbraw/zinc/26/98/71/1046269871.db2.gz GVPFWPZNNOCROJ-UHFFFAOYSA-N 0 0 341.329 4.247 20 10 EICDRN Cc1cc(F)ccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000771252422 1046359199 /nfs/dbraw/zinc/35/91/99/1046359199.db2.gz RVDBZEPXZDRWRV-UHFFFAOYSA-N 0 0 326.415 4.054 20 10 EICDRN CC(C)(O)c1ccccc1NCc1cc(Cl)c2cccnc2c1O ZINC001168521451 1046365486 /nfs/dbraw/zinc/36/54/86/1046365486.db2.gz CDXQOAWNKPAINI-UHFFFAOYSA-N 0 0 342.826 4.433 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)c2coc3cc(C)c(C)cc23)c1 ZINC000771417844 1046388991 /nfs/dbraw/zinc/38/89/91/1046388991.db2.gz NTACSSWEYGXXHJ-ZDUSSCGKSA-N 0 0 339.391 4.255 20 10 EICDRN Cc1cc(C(=O)N2CCC(F)(F)CC2)c(C)n1-c1ccccc1C ZINC000794296092 1046396650 /nfs/dbraw/zinc/39/66/50/1046396650.db2.gz MZUNQGVWDHAEAD-UHFFFAOYSA-N 0 0 332.394 4.274 20 10 EICDRN CCN(Cc1cc(Br)ccc1O)[C@@H](C)c1ncc(C)o1 ZINC000771446394 1046407170 /nfs/dbraw/zinc/40/71/70/1046407170.db2.gz KZUKPLZFNNDMKJ-NSHDSACASA-N 0 0 339.233 4.034 20 10 EICDRN CCN1C(=O)/C(=C/c2ccc(F)cc2C(F)(F)F)SC1=S ZINC000771838928 1046496343 /nfs/dbraw/zinc/49/63/43/1046496343.db2.gz RQWJWHMVBQDIOJ-YHYXMXQVSA-N 0 0 335.347 4.066 20 10 EICDRN O=C1NC(=S)S/C1=C/c1ccc(SCc2ccccc2)cc1 ZINC000771836724 1046496601 /nfs/dbraw/zinc/49/66/01/1046496601.db2.gz COPNWGMEBFDKMV-XNTDXEJSSA-N 0 0 343.498 4.468 20 10 EICDRN CCN1C(=O)/C(=C\c2ccc(F)cc2C(F)(F)F)SC1=S ZINC000771838924 1046497094 /nfs/dbraw/zinc/49/70/94/1046497094.db2.gz RQWJWHMVBQDIOJ-BJMVGYQFSA-N 0 0 335.347 4.066 20 10 EICDRN CCCn1c2ccccc2nc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000771935118 1046528144 /nfs/dbraw/zinc/52/81/44/1046528144.db2.gz IWTDGMOZZSXWNZ-UHFFFAOYSA-N 0 0 336.483 4.144 20 10 EICDRN CCN(CC)c1ccc(CN(C)Cc2cn3c(cccc3C)n2)cc1 ZINC000917019413 1046563960 /nfs/dbraw/zinc/56/39/60/1046563960.db2.gz FOELSXFDPYNGSS-UHFFFAOYSA-N 0 0 336.483 4.121 20 10 EICDRN Cc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)nc(-c2ccccn2)n1 ZINC000772296992 1046612944 /nfs/dbraw/zinc/61/29/44/1046612944.db2.gz MHOVKCUQTUEJOR-HNNXBMFYSA-N 0 0 333.439 4.086 20 10 EICDRN CC(=O)c1cc(N[C@H](C)c2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000804622253 1046677295 /nfs/dbraw/zinc/67/72/95/1046677295.db2.gz YOYVMYUEQYTUQK-GFCCVEGCSA-N 0 0 327.384 4.037 20 10 EICDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2ccncc2)cc1 ZINC000772629207 1046678742 /nfs/dbraw/zinc/67/87/42/1046678742.db2.gz BSZHOSGMINIEOK-UHFFFAOYSA-N 0 0 345.406 4.237 20 10 EICDRN Cc1cscc1C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000785521360 1046703837 /nfs/dbraw/zinc/70/38/37/1046703837.db2.gz JGKOHNCSZLQOJE-UHFFFAOYSA-N 0 0 326.259 4.123 20 10 EICDRN C[C@H](NC(=O)C1(Cc2ccccc2F)CC1)c1ccc(N(C)C)cc1 ZINC000785596472 1046716672 /nfs/dbraw/zinc/71/66/72/1046716672.db2.gz CWSZMKQFYJMBLZ-HNNXBMFYSA-N 0 0 340.442 4.092 20 10 EICDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cc2ccccc2o1 ZINC000785571534 1046722786 /nfs/dbraw/zinc/72/27/86/1046722786.db2.gz STAUEEXBTVCUJN-VXGBXAGGSA-N 0 0 326.352 4.458 20 10 EICDRN Cc1coc(C)c1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000785756341 1046745379 /nfs/dbraw/zinc/74/53/79/1046745379.db2.gz WVRLURSLBQCEEY-UHFFFAOYSA-N 0 0 326.440 4.159 20 10 EICDRN Cn1cnc2ccc(NCc3cc(Cl)c4cccnc4c3O)cc21 ZINC001168522947 1046752738 /nfs/dbraw/zinc/75/27/38/1046752738.db2.gz XGUAZFIYZJLZDH-UHFFFAOYSA-N 0 0 338.798 4.093 20 10 EICDRN Cc1cc(C)c(C(=O)NCc2cc(Br)ccc2O)c(C)c1 ZINC000804735698 1046784520 /nfs/dbraw/zinc/78/45/20/1046784520.db2.gz DIXRPRNHAPPKGN-UHFFFAOYSA-N 0 0 348.240 4.010 20 10 EICDRN C[C@H](CNC(=O)C1=CC(=O)CS1)c1ccc(C(F)(F)F)cc1 ZINC000786009732 1046800595 /nfs/dbraw/zinc/80/05/95/1046800595.db2.gz KAIWONMBWUEKTB-SECBINFHSA-N 0 0 329.343 4.006 20 10 EICDRN Cc1cc(C(=O)N2C[C@H](C)c3ccccc32)c(C)n1-c1ccccn1 ZINC000917176306 1046806090 /nfs/dbraw/zinc/80/60/90/1046806090.db2.gz ULEHCKNGOPCACY-AWEZNQCLSA-N 0 0 331.419 4.253 20 10 EICDRN CCOc1cccc(CNc2cnn(-c3ccc(C)cc3C)c2)c1O ZINC000786162240 1046813971 /nfs/dbraw/zinc/81/39/71/1046813971.db2.gz WUASMFAXYKYGHM-UHFFFAOYSA-N 0 0 337.423 4.206 20 10 EICDRN Oc1ccc(Br)cc1CNc1nccc2ccc(F)cc21 ZINC000804828535 1046819129 /nfs/dbraw/zinc/81/91/29/1046819129.db2.gz RCVCIBPGPPYTKS-UHFFFAOYSA-N 0 0 347.187 4.454 20 10 EICDRN CCCCCC[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001129993584 1046827450 /nfs/dbraw/zinc/82/74/50/1046827450.db2.gz XLRDSFFAIFLZSG-MSOLQXFVSA-N 0 0 346.515 4.244 20 10 EICDRN O=C(c1cc[nH]c1C1CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000786333106 1046830596 /nfs/dbraw/zinc/83/05/96/1046830596.db2.gz WJJNETZTKWMFTB-UHFFFAOYSA-N 0 0 336.391 4.033 20 10 EICDRN Cc1ccc([C@@H](C)Nc2cccc(N3CCNC3=O)c2C)c(O)c1C ZINC000786985845 1046892281 /nfs/dbraw/zinc/89/22/81/1046892281.db2.gz PYXJCMBBVZONMS-OAHLLOKOSA-N 0 0 339.439 4.020 20 10 EICDRN CCCC[C@@H](CC)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001130186072 1046897162 /nfs/dbraw/zinc/89/71/62/1046897162.db2.gz ZYYMAQSSCTWFBQ-MSOLQXFVSA-N 0 0 346.515 4.244 20 10 EICDRN CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1O ZINC000917500708 1046916151 /nfs/dbraw/zinc/91/61/51/1046916151.db2.gz GHFLDMJKQVYJPF-KRWDZBQOSA-N 0 0 330.815 4.268 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)N[C@@H]1CCCC[C@@H]1C ZINC000917593274 1047014563 /nfs/dbraw/zinc/01/45/63/1047014563.db2.gz MIPBRXDDUDWSLW-QFBILLFUSA-N 0 0 347.572 4.416 20 10 EICDRN CN(C)c1ccc(CN(C(=S)Nc2ccccc2)C2CC2)cc1 ZINC000917594595 1047014734 /nfs/dbraw/zinc/01/47/34/1047014734.db2.gz DXNKMMLFKYTVPC-UHFFFAOYSA-N 0 0 325.481 4.114 20 10 EICDRN Cc1cc(C)cc(NC(=S)NCCCN(C)c2ccccc2F)c1 ZINC000917599107 1047018430 /nfs/dbraw/zinc/01/84/30/1047018430.db2.gz GJEWFPWNBXTURF-UHFFFAOYSA-N 0 0 345.487 4.255 20 10 EICDRN Cc1ccc(NC(=S)NCCCN(C)c2ccccc2F)cc1F ZINC000917599283 1047018576 /nfs/dbraw/zinc/01/85/76/1047018576.db2.gz MLWCCUHTKJHGOI-UHFFFAOYSA-N 0 0 349.450 4.086 20 10 EICDRN C[C@@H]1CN(c2ccc(CNc3cccc(Cl)n3)cc2F)C[C@H](C)O1 ZINC000787897566 1047071254 /nfs/dbraw/zinc/07/12/54/1047071254.db2.gz OFJUDOIDTNSGLW-BETUJISGSA-N 0 0 349.837 4.100 20 10 EICDRN C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1Cl ZINC000746718448 1047074743 /nfs/dbraw/zinc/07/47/43/1047074743.db2.gz HKNITDWAUPTMSN-LBPRGKRZSA-N 0 0 349.837 4.106 20 10 EICDRN O=C(OCCCCCO)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000787984383 1047083998 /nfs/dbraw/zinc/08/39/98/1047083998.db2.gz YVEUQNVNVHSQHS-UHFFFAOYSA-N 0 0 328.368 4.127 20 10 EICDRN CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806134441 1047131776 /nfs/dbraw/zinc/13/17/76/1047131776.db2.gz KUXRSLDJYBKKIK-HZMBPMFUSA-N 0 0 347.286 4.045 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)Cc1cnccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136483 1047131783 /nfs/dbraw/zinc/13/17/83/1047131783.db2.gz YGFQUFZMRQIFJV-BONVTDFDSA-N 0 0 340.254 4.161 20 10 EICDRN CC[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1[O-] ZINC000806136716 1047132513 /nfs/dbraw/zinc/13/25/13/1047132513.db2.gz FYNVOKUVEZHTSA-INIZCTEOSA-N 0 0 347.842 4.448 20 10 EICDRN CC[C@@H]([NH2+][C@H]1COc2c(cccc2OC)C1)c1cccc(Cl)c1[O-] ZINC000806138216 1047134415 /nfs/dbraw/zinc/13/44/15/1047134415.db2.gz XCGUETVBQWRKHE-CZUORRHYSA-N 0 0 347.842 4.099 20 10 EICDRN CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1[O-] ZINC000806137772 1047134985 /nfs/dbraw/zinc/13/49/85/1047134985.db2.gz NRSUJKQXLXDCBG-MRXNPFEDSA-N 0 0 334.803 4.237 20 10 EICDRN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139897 1047135601 /nfs/dbraw/zinc/13/56/01/1047135601.db2.gz FJAZZDGNMWJYNN-HCKVZZMMSA-N 0 0 332.271 4.291 20 10 EICDRN C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(F)cc1[O-] ZINC000788258039 1047142823 /nfs/dbraw/zinc/14/28/23/1047142823.db2.gz FCQJDNHCHIUNEO-LLVKDONJSA-N 0 0 325.330 4.026 20 10 EICDRN CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000806128153 1047153337 /nfs/dbraw/zinc/15/33/37/1047153337.db2.gz GPRIQPIXDDOMAJ-VQIMIIECSA-N 0 0 344.886 4.361 20 10 EICDRN CC[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccc(F)cc1[O-] ZINC000806177014 1047162149 /nfs/dbraw/zinc/16/21/49/1047162149.db2.gz RXHBATIXPDOBOD-IAGOWNOFSA-N 0 0 337.822 4.349 20 10 EICDRN C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cc(F)cc(F)c1[O-] ZINC000806176356 1047162379 /nfs/dbraw/zinc/16/23/79/1047162379.db2.gz KQQQJZRNKKAIDZ-QLJPJBMISA-N 0 0 341.785 4.098 20 10 EICDRN C[C@@H]([NH2+]CCC1(F)CCC1)c1cc(Br)c(F)cc1[O-] ZINC000806176735 1047163313 /nfs/dbraw/zinc/16/33/13/1047163313.db2.gz VOXJJDQYCMWVHO-SECBINFHSA-N 0 0 334.204 4.227 20 10 EICDRN CC[C@H]([NH2+]Cc1nc2cc(C)ccc2[nH]1)c1cccc(Cl)c1[O-] ZINC000806140705 1047165838 /nfs/dbraw/zinc/16/58/38/1047165838.db2.gz BDXQGWNYWRPHQR-AWEZNQCLSA-N 0 0 329.831 4.471 20 10 EICDRN CC[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc(Cl)c1[O-] ZINC000806141632 1047165962 /nfs/dbraw/zinc/16/59/62/1047165962.db2.gz UTVHSJCINJVVLC-ZBFHGGJFSA-N 0 0 325.861 4.056 20 10 EICDRN CC[C@@H]([NH2+]CCOCc1ccc(OC)cc1)c1cccc(Cl)c1[O-] ZINC000806144022 1047167721 /nfs/dbraw/zinc/16/77/21/1047167721.db2.gz RCLHTMQMVPTFBT-GOSISDBHSA-N 0 0 349.858 4.312 20 10 EICDRN CC[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1cccc(Cl)c1[O-] ZINC000806146107 1047170214 /nfs/dbraw/zinc/17/02/14/1047170214.db2.gz KBASLIGCWRAJMN-CQSZACIVSA-N 0 0 347.821 4.312 20 10 EICDRN CC[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148638 1047172999 /nfs/dbraw/zinc/17/29/99/1047172999.db2.gz JGULOFAZMPEURI-LDYMZIIASA-N 0 0 346.176 4.053 20 10 EICDRN CC[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cccc(Cl)c1[O-] ZINC000806149551 1047174860 /nfs/dbraw/zinc/17/48/60/1047174860.db2.gz VMWPPESBBMJYIV-MSOLQXFVSA-N 0 0 330.859 4.273 20 10 EICDRN CC[C@H]([NH2+]CC1(N(C)C)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806159630 1047182216 /nfs/dbraw/zinc/18/22/16/1047182216.db2.gz ANYMTLQIVNMAJS-AWEZNQCLSA-N 0 0 331.287 4.224 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000806160908 1047185298 /nfs/dbraw/zinc/18/52/98/1047185298.db2.gz LOCMERNFEAPPEN-NZVBXONLSA-N 0 0 332.271 4.291 20 10 EICDRN CC[C@@H](Nc1ccc2ccn(C)c(=O)c2c1)c1cccc(Cl)c1O ZINC000806164989 1047187796 /nfs/dbraw/zinc/18/77/96/1047187796.db2.gz FUNKDJXAOVJZNC-QGZVFWFLSA-N 0 0 342.826 4.461 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)CCOCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000806182863 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GSGZHLILPNASKY-CXAGYDPISA-N 0 0 347.499 4.425 20 10 EICDRN CC[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(F)cc1[O-] ZINC000815645619 1048571166 /nfs/dbraw/zinc/57/11/66/1048571166.db2.gz LHCMRWSJXVLRCF-OAHLLOKOSA-N 0 0 342.336 4.229 20 10 EICDRN CCCC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000809954192 1048583226 /nfs/dbraw/zinc/58/32/26/1048583226.db2.gz WUZDRIOSYWQQGR-QGZVFWFLSA-N 0 0 344.480 4.190 20 10 EICDRN O=C([C@H]1CC2CCC1CC2)N(Cc1ccco1)Cc1ccccc1O ZINC000815796556 1048605356 /nfs/dbraw/zinc/60/53/56/1048605356.db2.gz BDDXLGPYCJLSED-RJYAGPCLSA-N 0 0 339.435 4.340 20 10 EICDRN Cc1cc(CNC(=O)CCOCC(C)C)c(C)n1-c1cccc(C)c1 ZINC001132044447 1048612119 /nfs/dbraw/zinc/61/21/19/1048612119.db2.gz SLAHURAQLCWWQO-UHFFFAOYSA-N 0 0 342.483 4.081 20 10 EICDRN Cc1cc(CNC(=O)c2sc(C)nc2C)c(C)n1-c1ccccc1 ZINC001132047993 1048624852 /nfs/dbraw/zinc/62/48/52/1048624852.db2.gz FBWSTGIXXOSAQA-UHFFFAOYSA-N 0 0 339.464 4.097 20 10 EICDRN C/C(=C\C(=O)NCc1cc(C)n(-c2ccccc2)c1C)c1ccco1 ZINC001132048037 1048625218 /nfs/dbraw/zinc/62/52/18/1048625218.db2.gz GJKVALWENYVOFY-NTCAYCPXSA-N 0 0 334.419 4.407 20 10 EICDRN Oc1ccc(Br)cc1CNc1cncc(C(F)(F)F)c1 ZINC001171175900 1048650550 /nfs/dbraw/zinc/65/05/50/1048650550.db2.gz SXHWYLQKCUZBRO-UHFFFAOYSA-N 0 0 347.134 4.181 20 10 EICDRN O=C(COC(=O)c1ccccc1NN=C1C=CC(=O)C=C1)c1ccc[nH]1 ZINC000920429135 1048679595 /nfs/dbraw/zinc/67/95/95/1048679595.db2.gz INSDQAQVXTVCLR-UHFFFAOYSA-N 0 0 349.346 4.175 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)C/C=C\c1ccc(F)cc1 ZINC000748042842 1048680000 /nfs/dbraw/zinc/68/00/00/1048680000.db2.gz WEBNSGUGXMWVHE-WAYWQWQTSA-N 0 0 327.399 4.373 20 10 EICDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1ccccc1F ZINC001135395697 1048698195 /nfs/dbraw/zinc/69/81/95/1048698195.db2.gz DSJLIICCAAJJOO-UHFFFAOYSA-N 0 0 336.366 4.298 20 10 EICDRN CC[C@]1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])OCCc2ccccc21 ZINC000810243775 1048726223 /nfs/dbraw/zinc/72/62/23/1048726223.db2.gz UEHKQEQFHLNIEK-VBKZILBWSA-N 0 0 329.415 4.060 20 10 EICDRN CCCCCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001135441207 1048737177 /nfs/dbraw/zinc/73/71/77/1048737177.db2.gz RGLKCZIVJLSFRF-UHFFFAOYSA-N 0 0 326.440 4.135 20 10 EICDRN COc1ccc(N(CCCc2cnn(C)c2)Cc2ccccc2)cc1 ZINC000920760324 1048775628 /nfs/dbraw/zinc/77/56/28/1048775628.db2.gz BMMOQAFVSZADHR-UHFFFAOYSA-N 0 0 335.451 4.068 20 10 EICDRN CCOc1ccc(O)c(CNc2cc(Cl)c(OC)c(OC)c2)c1 ZINC000846048367 1048807732 /nfs/dbraw/zinc/80/77/32/1048807732.db2.gz DQWMWRBWEIFPLM-UHFFFAOYSA-N 0 0 337.803 4.074 20 10 EICDRN C[C@@H](CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)CC(C)(C)C ZINC000920882554 1048808840 /nfs/dbraw/zinc/80/88/40/1048808840.db2.gz VLBPKOATEBTGCO-DLBZAZTESA-N 0 0 346.515 4.163 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000816520032 1048820616 /nfs/dbraw/zinc/82/06/16/1048820616.db2.gz DLLGQXJFNFVJJR-UHFFFAOYSA-N 0 0 325.733 4.349 20 10 EICDRN COc1cccc([C@H](C)Nc2ccc(OC(F)F)c(F)c2)c1O ZINC000846157816 1048824386 /nfs/dbraw/zinc/82/43/86/1048824386.db2.gz GKAPDMFFISGESP-VIFPVBQESA-N 0 0 327.302 4.314 20 10 EICDRN Cc1ccc(C)c(NC(=S)NCCN2CCCc3ccccc32)c1 ZINC000920994257 1048824515 /nfs/dbraw/zinc/82/45/15/1048824515.db2.gz VUHSGIRYCKKLOM-UHFFFAOYSA-N 0 0 339.508 4.043 20 10 EICDRN COc1cccc([C@@H](C)Nc2ccc(N3CCCC3)c(F)c2)c1O ZINC000846159453 1048825396 /nfs/dbraw/zinc/82/53/96/1048825396.db2.gz OPXCGGIWMHOIAA-CYBMUJFWSA-N 0 0 330.403 4.313 20 10 EICDRN CCCOCc1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816536090 1048825575 /nfs/dbraw/zinc/82/55/75/1048825575.db2.gz LVWHWKOPAZSVIJ-UHFFFAOYSA-N 0 0 337.822 4.401 20 10 EICDRN O=C1CCCCN1c1cccc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816523222 1048830093 /nfs/dbraw/zinc/83/00/93/1048830093.db2.gz IGPXGOZJCLHIBM-UHFFFAOYSA-N 0 0 348.805 4.314 20 10 EICDRN Oc1cc(F)c(Cl)cc1CNc1ccc(-n2ccnc2)c(F)c1 ZINC000816526076 1048831558 /nfs/dbraw/zinc/83/15/58/1048831558.db2.gz SKSUBKULPLBADR-UHFFFAOYSA-N 0 0 335.741 4.122 20 10 EICDRN COCc1nc2cc(NCc3cc(Cl)c(F)cc3O)ccc2o1 ZINC000816555853 1048834214 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C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2cc(Cl)ccc2O)o1 ZINC000846479448 1048865661 /nfs/dbraw/zinc/86/56/61/1048865661.db2.gz KWVLIFFILIDDQS-XHDPSFHLSA-N 0 0 333.815 4.011 20 10 EICDRN COc1ccc(N(C)Cc2nc3ccccc3n2C(F)F)cc1OC ZINC000921234361 1048886599 /nfs/dbraw/zinc/88/65/99/1048886599.db2.gz ZEYWUBVANRGZHC-UHFFFAOYSA-N 0 0 347.365 4.085 20 10 EICDRN Cc1ccc(F)c(CN2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001138029012 1048892623 /nfs/dbraw/zinc/89/26/23/1048892623.db2.gz BVVMVHUKHHGWTC-UHFFFAOYSA-N 0 0 335.806 4.147 20 10 EICDRN C[C@@H](CF)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000817122632 1048902693 /nfs/dbraw/zinc/90/26/93/1048902693.db2.gz LBFAWYKYHGXGBW-ZDUSSCGKSA-N 0 0 328.391 4.256 20 10 EICDRN Cc1cccc(CNC(F)(F)C2(c3ccc(Cl)nc3)CC2)c1O ZINC001160770611 1048915979 /nfs/dbraw/zinc/91/59/79/1048915979.db2.gz ADLQOYRHHFMZGL-UHFFFAOYSA-N 0 0 338.785 4.163 20 10 EICDRN Cc1ccc(SCC(=O)NCc2cc(Cl)ccc2O)c(C)c1 ZINC001146231687 1049011026 /nfs/dbraw/zinc/01/10/26/1049011026.db2.gz HMRVXRUBZUSDLL-UHFFFAOYSA-N 0 0 335.856 4.071 20 10 EICDRN CCc1ccc(NC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000796641667 1049019606 /nfs/dbraw/zinc/01/96/06/1049019606.db2.gz UTZYSQRFWGBYNL-UHFFFAOYSA-N 0 0 349.228 4.039 20 10 EICDRN CC1(C)CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC(C)(C)C1 ZINC001146529948 1049031650 /nfs/dbraw/zinc/03/16/50/1049031650.db2.gz LGQJTOKKYVAFJH-UHFFFAOYSA-N 0 0 344.459 4.431 20 10 EICDRN C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955393 1049067586 /nfs/dbraw/zinc/06/75/86/1049067586.db2.gz XNQGBUAWOQAUGQ-QMTHXVAHSA-N 0 0 325.239 4.050 20 10 EICDRN CCCc1cc(NC(=O)c2sccc2-n2c(C)ccc2C)n[nH]1 ZINC001147170759 1049098571 /nfs/dbraw/zinc/09/85/71/1049098571.db2.gz HKUUAMGECKTBND-UHFFFAOYSA-N 0 0 328.441 4.084 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518025 1049104214 /nfs/dbraw/zinc/10/42/14/1049104214.db2.gz DKEIITWTMUDZTA-GDBMZVCRSA-N 0 0 342.266 4.233 20 10 EICDRN Fc1cccc(CNC(=S)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000747722142 1049108939 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CC(C)OCc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000772993923 1049383794 /nfs/dbraw/zinc/38/37/94/1049383794.db2.gz JATGJPXVCFSMRV-MRXNPFEDSA-N 0 0 340.467 4.169 20 10 EICDRN CC[C@@H](C)CN(CC)C(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001148850517 1049388603 /nfs/dbraw/zinc/38/86/03/1049388603.db2.gz FXURPNLARBWSMV-OAHLLOKOSA-N 0 0 340.467 4.415 20 10 EICDRN Cc1oc2ccccc2c1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772995445 1049389061 /nfs/dbraw/zinc/38/90/61/1049389061.db2.gz BPHIRBJSANDNHC-AWEZNQCLSA-N 0 0 336.435 4.227 20 10 EICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(CF)cc1 ZINC000819979169 1049394426 /nfs/dbraw/zinc/39/44/26/1049394426.db2.gz QRNGRQKFFMIWNQ-UHFFFAOYSA-N 0 0 340.442 4.419 20 10 EICDRN CCOC(=O)/C(=C\c1ccc(N(C)C)c(F)c1)c1ccncc1Cl ZINC000812247706 1049400614 /nfs/dbraw/zinc/40/06/14/1049400614.db2.gz UJAPQIYSRQTYTO-ZROIWOOFSA-N 0 0 348.805 4.044 20 10 EICDRN Cc1cc(C(=O)N2CCC(C)(C3CC3)CC2)c(C)n1-c1ccccn1 ZINC000812273939 1049409807 /nfs/dbraw/zinc/40/98/07/1049409807.db2.gz OUEYNJPADKRTQU-UHFFFAOYSA-N 0 0 337.467 4.141 20 10 EICDRN CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000820047005 1049421598 /nfs/dbraw/zinc/42/15/98/1049421598.db2.gz XSOSQSVPSIPPPK-CQSZACIVSA-N 0 0 330.432 4.137 20 10 EICDRN COc1ccc2sc(C(=O)N(C)Cc3ccccc3O)c(C)c2c1 ZINC000175504249 1049427202 /nfs/dbraw/zinc/42/72/02/1049427202.db2.gz XHTKWNWTSCPZDV-UHFFFAOYSA-N 0 0 341.432 4.196 20 10 EICDRN NC(=O)N=Nc1ccc(C(=O)N2CCCCCc3ccccc32)cc1 ZINC000820329994 1049478377 /nfs/dbraw/zinc/47/83/77/1049478377.db2.gz QSGMRCGUMLAINI-UHFFFAOYSA-N 0 0 336.395 4.222 20 10 EICDRN Cc1cccc(NC(=S)NNc2ccc(OC(F)(F)F)cc2)c1 ZINC000812475273 1049488533 /nfs/dbraw/zinc/48/85/33/1049488533.db2.gz WYWQKFFJTGLPFV-UHFFFAOYSA-N 0 0 341.358 4.207 20 10 EICDRN C[C@H](CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000773000885 1049516913 /nfs/dbraw/zinc/51/69/13/1049516913.db2.gz QIBJBPDHBOKGDC-HUUCEWRRSA-N 0 0 328.431 4.263 20 10 EICDRN C[C@H](NC(=O)CCc1ccc(Cl)s1)c1ccc(N(C)C)cc1 ZINC000773009796 1049520673 /nfs/dbraw/zinc/52/06/73/1049520673.db2.gz RCSAPJIOSCNYJB-LBPRGKRZSA-N 0 0 336.888 4.278 20 10 EICDRN C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773009758 1049521677 /nfs/dbraw/zinc/52/16/77/1049521677.db2.gz QPZDPIXNXWWRIQ-HZPDHXFCSA-N 0 0 342.458 4.338 20 10 EICDRN C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000773010291 1049523589 /nfs/dbraw/zinc/52/35/89/1049523589.db2.gz STAMZHXTVRMDEE-AGRHKRQWSA-N 0 0 342.870 4.387 20 10 EICDRN Cc1nc(C(C)C)sc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773011033 1049525324 /nfs/dbraw/zinc/52/53/24/1049525324.db2.gz VQHMPEKCNFNABN-LBPRGKRZSA-N 0 0 331.485 4.132 20 10 EICDRN C[C@H](NC(=O)c1cc(F)c(Cl)cc1F)c1ccc(N(C)C)cc1 ZINC000773011161 1049525621 /nfs/dbraw/zinc/52/56/21/1049525621.db2.gz QZPLSJPIEWYAAG-JTQLQIEISA-N 0 0 338.785 4.175 20 10 EICDRN Cc1ccc2c(CC(=O)N[C@H](C)c3ccc(N(C)C)cc3)coc2c1 ZINC000773014956 1049531316 /nfs/dbraw/zinc/53/13/16/1049531316.db2.gz LFJVCXARUYENPL-OAHLLOKOSA-N 0 0 336.435 4.227 20 10 EICDRN C[C@H](NC(=O)CCc1cc(Cl)cs1)c1ccc(N(C)C)cc1 ZINC000773022692 1049534986 /nfs/dbraw/zinc/53/49/86/1049534986.db2.gz IVEMIMVMTPRACE-LBPRGKRZSA-N 0 0 336.888 4.278 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(F)cc1[O-] ZINC000812735668 1049553955 /nfs/dbraw/zinc/55/39/55/1049553955.db2.gz FENXGMRFENBIME-KBXCAEBGSA-N 0 0 346.421 4.238 20 10 EICDRN C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc(N(C)C)cc1 ZINC000773139727 1049602422 /nfs/dbraw/zinc/60/24/22/1049602422.db2.gz QJLRLOZNTUEDMH-QRWLVFNGSA-N 0 0 337.467 4.264 20 10 EICDRN C[C@@H](NC(=O)NCc1ccc(Cl)s1)c1ccc(N(C)C)cc1 ZINC000773138283 1049602455 /nfs/dbraw/zinc/60/24/55/1049602455.db2.gz TUSKVWHXEVPJSL-LLVKDONJSA-N 0 0 337.876 4.028 20 10 EICDRN Oc1cc2ccccc2cc1CNc1cccc(OC(F)(F)F)n1 ZINC001171399413 1049616130 /nfs/dbraw/zinc/61/61/30/1049616130.db2.gz FLFVPSXESXGYHF-UHFFFAOYSA-N 0 0 334.297 4.451 20 10 EICDRN O=[N+]([O-])c1ccc(Cl)nc1NCc1cc2ccccc2cc1O ZINC001171404526 1049625253 /nfs/dbraw/zinc/62/52/53/1049625253.db2.gz FGHRBPJSJFYMLT-UHFFFAOYSA-N 0 0 329.743 4.114 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000821345847 1049627264 /nfs/dbraw/zinc/62/72/64/1049627264.db2.gz OZNAYLBCOCNQJT-HNAYVOBHSA-N 0 0 338.451 4.042 20 10 EICDRN COC(=O)c1cc(NCc2cc3ccccc3cc2O)cc2[nH]ccc21 ZINC001171404725 1049629150 /nfs/dbraw/zinc/62/91/50/1049629150.db2.gz KOZSMYFCAMBCTK-UHFFFAOYSA-N 0 0 346.386 4.425 20 10 EICDRN CC1(C)c2ccc(NCc3cc4ccccc4cc3O)cc2NC1=O ZINC001171406975 1049631186 /nfs/dbraw/zinc/63/11/86/1049631186.db2.gz ICKIRTLGUBXDBZ-UHFFFAOYSA-N 0 0 332.403 4.387 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCCC23CCCC3)c1 ZINC000812930047 1049635494 /nfs/dbraw/zinc/63/54/94/1049635494.db2.gz GZVPJDZJBAYEMH-KSSFIOAISA-N 0 0 346.471 4.264 20 10 EICDRN Cc1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)c(O)c1O ZINC000179543437 1049668289 /nfs/dbraw/zinc/66/82/89/1049668289.db2.gz VHHBTDJMFZWXNS-UHFFFAOYSA-N 0 0 339.313 4.153 20 10 EICDRN Clc1ccc(C2=CCN(c3ncnc4c3CCCCC4)CC2)cn1 ZINC000773246978 1049672395 /nfs/dbraw/zinc/67/23/95/1049672395.db2.gz FURFJUNXJWRDKY-UHFFFAOYSA-N 0 0 340.858 4.088 20 10 EICDRN COCCCN(C)C(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC001136481542 1049674644 /nfs/dbraw/zinc/67/46/44/1049674644.db2.gz AONMQRMNPVWGQS-UHFFFAOYSA-N 0 0 342.483 4.326 20 10 EICDRN Cc1sc(NC(=O)Cc2ccc(N)cc2)nc1-c1ccc(F)cc1 ZINC000237708977 1049719300 /nfs/dbraw/zinc/71/93/00/1049719300.db2.gz HUHOSRDIRWNDER-UHFFFAOYSA-N 0 0 341.411 4.021 20 10 EICDRN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822525567 1049767376 /nfs/dbraw/zinc/76/73/76/1049767376.db2.gz IMKBIEGXHFZFIU-HZPDHXFCSA-N 0 0 338.234 4.007 20 10 EICDRN CC(C)[C@@](C)(Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1O ZINC001171723005 1049784435 /nfs/dbraw/zinc/78/44/35/1049784435.db2.gz IXOPXICYQWKGGT-IIBYNOLFSA-N 0 0 325.452 4.474 20 10 EICDRN CCn1ccnc1C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000813507467 1049786037 /nfs/dbraw/zinc/78/60/37/1049786037.db2.gz LJOFWVRIFUKIRS-MRXNPFEDSA-N 0 0 349.434 4.012 20 10 EICDRN Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccccc2O)c(Cl)c1 ZINC001171730619 1049786808 /nfs/dbraw/zinc/78/68/08/1049786808.db2.gz QTONBNLKOPRRBN-AWEZNQCLSA-N 0 0 347.842 4.390 20 10 EICDRN Cc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1F ZINC000179954479 1049810087 /nfs/dbraw/zinc/81/00/87/1049810087.db2.gz FLCLENJSZDZLBY-UHFFFAOYSA-N 0 0 327.403 4.056 20 10 EICDRN CC[C@H](Nc1cc(OC)c(OC)cc1OC)c1ccc(N(C)C)cc1 ZINC000179986676 1049814652 /nfs/dbraw/zinc/81/46/52/1049814652.db2.gz WOSXGVHCMAYEPK-INIZCTEOSA-N 0 0 344.455 4.342 20 10 EICDRN Cc1c(NCc2ccc(N(C)C)c(F)c2)cccc1-c1ncco1 ZINC000813784102 1049815713 /nfs/dbraw/zinc/81/57/13/1049815713.db2.gz RSHGCIAKIKTOER-UHFFFAOYSA-N 0 0 325.387 4.467 20 10 EICDRN Cc1ccc(-c2csc(NC(=O)c3ccc(C)c(O)c3O)n2)s1 ZINC001136665215 1049816832 /nfs/dbraw/zinc/81/68/32/1049816832.db2.gz GKNGCOKFMFBIDI-UHFFFAOYSA-N 0 0 346.433 4.152 20 10 EICDRN CC[C@@H](Nc1ccc(C)c(C(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000179998950 1049822175 /nfs/dbraw/zinc/82/21/75/1049822175.db2.gz WPDSYFFQSMYFLL-HXUWFJFHSA-N 0 0 339.483 4.326 20 10 EICDRN CC[C@H](CC(F)(F)F)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001136729476 1049852959 /nfs/dbraw/zinc/85/29/59/1049852959.db2.gz CLSMPVOGUSTZSI-CYBMUJFWSA-N 0 0 348.384 4.267 20 10 EICDRN Cc1cc(C(=O)O[C@@H](C)c2nnc(C)o2)c(C)n1-c1cccc(C)c1 ZINC000068505364 1049861071 /nfs/dbraw/zinc/86/10/71/1049861071.db2.gz HMFYNKXRWYACPF-AWEZNQCLSA-N 0 0 339.395 4.012 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3cc(F)ccc3s2)c1 ZINC000170900954 1049976069 /nfs/dbraw/zinc/97/60/69/1049976069.db2.gz KKMZQQYIFFNRRW-JTQLQIEISA-N 0 0 345.395 4.246 20 10 EICDRN COc1ccc([C@H](NCc2ccc(N(C)C)cc2)C(F)(F)F)cc1 ZINC000181217296 1050050143 /nfs/dbraw/zinc/05/01/43/1050050143.db2.gz KQLKOIXMWIMCSQ-KRWDZBQOSA-N 0 0 338.373 4.154 20 10 EICDRN CN(C)c1ccc(CN[C@@H](c2cccc(F)c2F)C(F)(F)F)cc1 ZINC000181217259 1050050161 /nfs/dbraw/zinc/05/01/61/1050050161.db2.gz VYDNQUHWLIQRSX-INIZCTEOSA-N 0 0 344.327 4.424 20 10 EICDRN COC(=O)/C=C/c1ccc(N2CCC[C@@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001185766489 1050154878 /nfs/dbraw/zinc/15/48/78/1050154878.db2.gz JGXNZTJRSSDGGU-DYLHUKMJSA-N 0 0 346.427 4.044 20 10 EICDRN C[C@H](NC(=O)N1CC[C@H](c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773616659 1050155858 /nfs/dbraw/zinc/15/58/58/1050155858.db2.gz LJOIIDBWWMPAFV-LPHOPBHVSA-N 0 0 337.467 4.013 20 10 EICDRN C[C@@H](NC(=O)N1CC[C@H](C)C2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000773612917 1050157530 /nfs/dbraw/zinc/15/75/30/1050157530.db2.gz NUHFRHZZXGCOKU-JKSUJKDBSA-N 0 0 329.488 4.035 20 10 EICDRN C[C@@H](NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)c1ccc(N(C)C)cc1 ZINC000773621463 1050162763 /nfs/dbraw/zinc/16/27/63/1050162763.db2.gz ZGGQMESGRBQPOJ-OYYMLLPPSA-N 0 0 341.499 4.034 20 10 EICDRN Cc1nc2cc(-c3noc(-c4nnsc4C(C)C)n3)ccc2s1 ZINC001212687338 1050183457 /nfs/dbraw/zinc/18/34/57/1050183457.db2.gz NVRBBROGZLGADL-UHFFFAOYSA-N 0 0 343.437 4.297 20 10 EICDRN Cc1ccsc1C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001177542287 1050249618 /nfs/dbraw/zinc/24/96/18/1050249618.db2.gz MLOSBIFNZYBYAV-UHFFFAOYSA-N 0 0 326.259 4.123 20 10 EICDRN CC(C)(C)c1ncncc1NCc1cc(Cl)c2cccnc2c1O ZINC001168526230 1050305564 /nfs/dbraw/zinc/30/55/64/1050305564.db2.gz UJJSBTWGGTUDFE-UHFFFAOYSA-N 0 0 342.830 4.293 20 10 EICDRN CC(C)(C)Cc1nnc(NCc2ccc(N3CCCCC3)cc2)o1 ZINC000181776070 1050328931 /nfs/dbraw/zinc/32/89/31/1050328931.db2.gz NTULUBPNTAHSBF-UHFFFAOYSA-N 0 0 328.460 4.261 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1csc(C2CC2)n1 ZINC000069876257 1050391603 /nfs/dbraw/zinc/39/16/03/1050391603.db2.gz WZULOMDNNYZBMS-UHFFFAOYSA-N 0 0 329.252 4.323 20 10 EICDRN Cc1c2ccccc2n(C)c1CNc1ccn(Cc2ccccc2)n1 ZINC001178181173 1050398111 /nfs/dbraw/zinc/39/81/11/1050398111.db2.gz VHNHRQOQZREAOU-UHFFFAOYSA-N 0 0 330.435 4.344 20 10 EICDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CCCC(F)(F)CC2)c1 ZINC001186829839 1050427426 /nfs/dbraw/zinc/42/74/26/1050427426.db2.gz OBAAVFDNEVBWTF-UHFFFAOYSA-N 0 0 348.393 4.061 20 10 EICDRN Cc1cc(C(=O)N2CCc3cc(C)ccc32)c(C)n1-c1ccccn1 ZINC000773737096 1050433453 /nfs/dbraw/zinc/43/34/53/1050433453.db2.gz DIRJRDPIVTWEQQ-UHFFFAOYSA-N 0 0 331.419 4.000 20 10 EICDRN CCOc1ccccc1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000182092518 1050473367 /nfs/dbraw/zinc/47/33/67/1050473367.db2.gz NCZPWOUYDJJOGV-OAHLLOKOSA-N 0 0 344.430 4.234 20 10 EICDRN COC(C)(C)CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001187371555 1050526960 /nfs/dbraw/zinc/52/69/60/1050526960.db2.gz MGWWHWSZGJHRAT-UHFFFAOYSA-N 0 0 342.395 4.053 20 10 EICDRN C[C@H](NC(=O)Nc1cccc(Br)c1)c1ccccc1O ZINC001187476612 1050552667 /nfs/dbraw/zinc/55/26/67/1050552667.db2.gz YILWDWOFTQDKSA-JTQLQIEISA-N 0 0 335.201 4.037 20 10 EICDRN CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@H]1CC1(C)C ZINC001178978219 1050591794 /nfs/dbraw/zinc/59/17/94/1050591794.db2.gz VJACBSHRYCFYAX-TZMCWYRMSA-N 0 0 326.278 4.377 20 10 EICDRN CCOc1ccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc1 ZINC001173851743 1050585598 /nfs/dbraw/zinc/58/55/98/1050585598.db2.gz SYOOKMACQYXWCT-SMLNAYLFSA-N 0 0 333.395 4.353 20 10 EICDRN Cc1ccc2oc(C[NH2+]Cc3cccc(Br)c3[O-])cc2c1 ZINC000775152191 1050643533 /nfs/dbraw/zinc/64/35/33/1050643533.db2.gz MHDPLOWRTDSYNL-UHFFFAOYSA-N 0 0 346.224 4.499 20 10 EICDRN Cc1cc(C)c(C[NH2+]Cc2cccc(Br)c2[O-])cc1C ZINC000775151048 1050644058 /nfs/dbraw/zinc/64/40/58/1050644058.db2.gz DWHTYGFXQRYOLP-UHFFFAOYSA-N 0 0 334.257 4.370 20 10 EICDRN C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000775153335 1050650109 /nfs/dbraw/zinc/65/01/09/1050650109.db2.gz SZVGTUWZRWGXMP-RAXLEYEMSA-N 0 0 332.241 4.348 20 10 EICDRN CN(C)C(=O)c1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1 ZINC001174006233 1050675399 /nfs/dbraw/zinc/67/53/99/1050675399.db2.gz DYKFSVUZOHDZBV-UHFFFAOYSA-N 0 0 346.434 4.023 20 10 EICDRN Oc1ccc(Cl)c(Cl)c1CN1CCOC2(CCCCC2)C1 ZINC001237084806 1050683035 /nfs/dbraw/zinc/68/30/35/1050683035.db2.gz NQVVMACXRBRPDL-UHFFFAOYSA-N 0 0 330.255 4.234 20 10 EICDRN CCN(C)c1ccc(CN(Cc2ccco2)Cc2cccnc2)cc1 ZINC000773816342 1050715816 /nfs/dbraw/zinc/71/58/16/1050715816.db2.gz GAHDSTPVJWRNML-UHFFFAOYSA-N 0 0 335.451 4.333 20 10 EICDRN CC(C)Oc1ccc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000763538893 1050733511 /nfs/dbraw/zinc/73/35/11/1050733511.db2.gz BEXIWKOHTUWFGT-UHFFFAOYSA-N 0 0 338.451 4.002 20 10 EICDRN Cc1nc(CN(Cc2ccco2)Cc2ccccc2O)sc1C ZINC000763543556 1050741965 /nfs/dbraw/zinc/74/19/65/1050741965.db2.gz MUNLECYGOKJZQR-UHFFFAOYSA-N 0 0 328.437 4.261 20 10 EICDRN COc1ccc(-n2c(N)c(/N=N/c3ccccc3)ccc2=N)c(F)c1 ZINC001174144553 1050785325 /nfs/dbraw/zinc/78/53/25/1050785325.db2.gz XVVWPRRREBMZKN-UKLSTIIHSA-N 0 0 337.358 4.102 20 10 EICDRN COc1nccc2c(NC/C=C/c3ccc(N(C)C)cc3)cccc21 ZINC001179842487 1050793417 /nfs/dbraw/zinc/79/34/17/1050793417.db2.gz KZWCOLXKCGKDFS-AATRIKPKSA-N 0 0 333.435 4.435 20 10 EICDRN Cc1ccc(O)c(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1 ZINC000775182072 1050808394 /nfs/dbraw/zinc/80/83/94/1050808394.db2.gz ZPSVXBKADHALSB-MRXNPFEDSA-N 0 0 338.451 4.327 20 10 EICDRN COc1ccc(O)c(CN2CCn3c(cc4c3cccc4Cl)C2)c1 ZINC000775204087 1050859314 /nfs/dbraw/zinc/85/93/14/1050859314.db2.gz MLTRQKHZDKJOLS-UHFFFAOYSA-N 0 0 342.826 4.025 20 10 EICDRN Nc1ccc(NC(=O)Nc2ccc(Nc3cncc(F)c3)cc2)cc1 ZINC001174292113 1050865768 /nfs/dbraw/zinc/86/57/68/1050865768.db2.gz KCTXJEQRZRLOAW-UHFFFAOYSA-N 0 0 337.358 4.191 20 10 EICDRN Cn1cc(Nc2ccc(Cl)cc2C(=O)c2c(F)cccc2F)cn1 ZINC001174329667 1050894138 /nfs/dbraw/zinc/89/41/38/1050894138.db2.gz GKJCHABTFHZAJE-UHFFFAOYSA-N 0 0 347.752 4.326 20 10 EICDRN Cc1cc(C(=O)Nc2c(C)cccc2O)c(C)n1-c1ccc(C#N)cc1 ZINC000183030950 1050940159 /nfs/dbraw/zinc/94/01/59/1050940159.db2.gz NSCJTYXPNRFDGK-UHFFFAOYSA-N 0 0 345.402 4.232 20 10 EICDRN CCC[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1COc2ccccc2O1 ZINC001180353382 1050965279 /nfs/dbraw/zinc/96/52/79/1050965279.db2.gz FHAMCGMCHUJLBT-OAHLLOKOSA-N 0 0 347.842 4.098 20 10 EICDRN Cc1ccc(C)c(N2CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)c1 ZINC001180378940 1050974664 /nfs/dbraw/zinc/97/46/64/1050974664.db2.gz MUSZTWAEHZLAGW-UHFFFAOYSA-N 0 0 348.849 4.124 20 10 EICDRN C/C(=C\c1ccccc1Cl)C(=O)NCc1cccc(Cl)c1O ZINC001180410505 1050992400 /nfs/dbraw/zinc/99/24/00/1050992400.db2.gz QSZWFAQLVQKYRY-PKNBQFBNSA-N 0 0 336.218 4.419 20 10 EICDRN CC[C@@H](CC(=O)NCc1cccc(Cl)c1O)c1ccc(OC)cc1 ZINC001180409929 1050992451 /nfs/dbraw/zinc/99/24/51/1050992451.db2.gz JTQGZEBPKNNXSB-ZDUSSCGKSA-N 0 0 347.842 4.254 20 10 EICDRN O=C(c1ccncc1)c1ccccc1Nc1cccc(-c2cc[nH]n2)c1 ZINC001174509543 1051044331 /nfs/dbraw/zinc/04/43/31/1051044331.db2.gz DWMWGMSAHFLRNF-UHFFFAOYSA-N 0 0 340.386 4.446 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC001180632551 1051055179 /nfs/dbraw/zinc/05/51/79/1051055179.db2.gz JLVBCSBCRINYIR-UHFFFAOYSA-N 0 0 335.806 4.022 20 10 EICDRN COC(=O)COc1ccc(N(C)C[C@H](C)CC2CCCCC2)cc1 ZINC001180810401 1051087139 /nfs/dbraw/zinc/08/71/39/1051087139.db2.gz MBAFCLOTCFUOEX-MRXNPFEDSA-N 0 0 333.472 4.281 20 10 EICDRN C[C@@H](NC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1O ZINC001190104888 1051116552 /nfs/dbraw/zinc/11/65/52/1051116552.db2.gz CIWUGLSPBURZJU-SNVBAGLBSA-N 0 0 339.222 4.259 20 10 EICDRN CC(C)[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(F)(F)F ZINC001180996708 1051128970 /nfs/dbraw/zinc/12/89/70/1051128970.db2.gz SUYWFQSHHNECPR-ZDUSSCGKSA-N 0 0 342.327 4.448 20 10 EICDRN CCO[C@H](C)n1cc(Nc2ccccc2Cc2ccc(N)cc2)cn1 ZINC001174701460 1051136753 /nfs/dbraw/zinc/13/67/53/1051136753.db2.gz JOMMMCYCBDBLRR-OAHLLOKOSA-N 0 0 336.439 4.355 20 10 EICDRN O=C1c2ccccc2C(=O)c2cc(Nc3ccc(O)c(F)c3)ccc21 ZINC001174734793 1051153317 /nfs/dbraw/zinc/15/33/17/1051153317.db2.gz IIXBCLPCRIYARO-UHFFFAOYSA-N 0 0 333.318 4.050 20 10 EICDRN CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC001190444672 1051174381 /nfs/dbraw/zinc/17/43/81/1051174381.db2.gz JXLMJZWXMYLCKR-UHFFFAOYSA-N 0 0 333.453 4.189 20 10 EICDRN Cc1ccccc1[C@@]1(F)CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001181196106 1051178423 /nfs/dbraw/zinc/17/84/23/1051178423.db2.gz ITQRYDLQOOOBJN-HXUWFJFHSA-N 0 0 348.412 4.410 20 10 EICDRN COc1ccc(N(C)Cc2sc(C)nc2C(F)(F)F)c(OC)c1 ZINC000183618034 1051186688 /nfs/dbraw/zinc/18/66/88/1051186688.db2.gz VPAZKSJGQKLEDH-UHFFFAOYSA-N 0 0 346.374 4.124 20 10 EICDRN 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340.467 4.008 20 10 EICDRN CC[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775500947 1051634933 /nfs/dbraw/zinc/63/49/33/1051634933.db2.gz YEKVHBZZVKDNML-CYBMUJFWSA-N 0 0 332.271 4.435 20 10 EICDRN CCc1cc(C[NH2+][C@H](CC)c2ccc(Cl)c(Cl)c2[O-])[nH]n1 ZINC000775508548 1051638837 /nfs/dbraw/zinc/63/88/37/1051638837.db2.gz VPRWVAZKSQBBOI-CYBMUJFWSA-N 0 0 328.243 4.225 20 10 EICDRN Cc1ccc2n[nH]cc2c1-n1c(=N)ccc(N=Nc2ccccc2)c1N ZINC001175523257 1051647864 /nfs/dbraw/zinc/64/78/64/1051647864.db2.gz CJKKEKCXFVSGAK-BAZIKNCWSA-N 0 0 343.394 4.139 20 10 EICDRN Oc1ccccc1CNc1ccnc2cc(Br)ccc21 ZINC000774523178 1051651956 /nfs/dbraw/zinc/65/19/56/1051651956.db2.gz GPWMKMLLCITVMF-UHFFFAOYSA-N 0 0 329.197 4.315 20 10 EICDRN CC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510040 1051654126 /nfs/dbraw/zinc/65/41/26/1051654126.db2.gz URXSHVOYSOPOGU-SUNKGSAMSA-N 0 0 331.287 4.222 20 10 EICDRN CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775511542 1051660109 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COc1ccc(N(C)C[C@@H](OC)c2ccc(Cl)cc2)c(OC)c1 ZINC001192399766 1051724385 /nfs/dbraw/zinc/72/43/85/1051724385.db2.gz BPKZZRCZNPVSKJ-GOSISDBHSA-N 0 0 335.831 4.181 20 10 EICDRN Cc1cc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c(C)n1C ZINC001192437296 1051731887 /nfs/dbraw/zinc/73/18/87/1051731887.db2.gz SVGCSLNWYYCYET-UHFFFAOYSA-N 0 0 333.435 4.071 20 10 EICDRN CC[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc(Cl)ccc1O ZINC000775548062 1051808171 /nfs/dbraw/zinc/80/81/71/1051808171.db2.gz WSYNOQNEMKGCMF-DYVFJYSZSA-N 0 0 344.842 4.212 20 10 EICDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(C(C)C)c2)c1 ZINC000775568452 1051862815 /nfs/dbraw/zinc/86/28/15/1051862815.db2.gz OBZFHOKQNSJOMK-CQSZACIVSA-N 0 0 327.424 4.153 20 10 EICDRN CCOc1ccc(N(C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001175947557 1051863757 /nfs/dbraw/zinc/86/37/57/1051863757.db2.gz SWYVUHSQUUIMRJ-INIZCTEOSA-N 0 0 348.487 4.169 20 10 EICDRN Cc1cc(C(=O)NC(CF)CF)c(C)n1-c1cccc(C(C)C)c1 ZINC001183536852 1051864304 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Cc1ccc(Nc2ccc3c(c2)CC(=O)N3)c(C(=O)c2ccccc2)c1 ZINC001176433226 1052053505 /nfs/dbraw/zinc/05/35/05/1052053505.db2.gz SKJXCBVJYDYEGI-UHFFFAOYSA-N 0 0 342.398 4.464 20 10 EICDRN Cc1c(Cl)cccc1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001184675638 1052063752 /nfs/dbraw/zinc/06/37/52/1052063752.db2.gz MBGANJLEVIZTPT-UHFFFAOYSA-N 0 0 331.847 4.378 20 10 EICDRN Cc1ccc2cccc(NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2n1 ZINC000775603056 1052127985 /nfs/dbraw/zinc/12/79/85/1052127985.db2.gz DGOYFXOGWQZBKQ-HNNXBMFYSA-N 0 0 348.450 4.492 20 10 EICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC001185074504 1052170696 /nfs/dbraw/zinc/17/06/96/1052170696.db2.gz ITFWORGMTPOJRK-UHFFFAOYSA-N 0 0 345.393 4.229 20 10 EICDRN Cc1noc(C)c1NC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001185219605 1052197072 /nfs/dbraw/zinc/19/70/72/1052197072.db2.gz IYNSFSOVMBEBGM-KRWDZBQOSA-N 0 0 343.427 4.059 20 10 EICDRN C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000184856789 1052266247 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C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000185597479 1052654968 /nfs/dbraw/zinc/65/49/68/1052654968.db2.gz COZDJNRGNFLNIG-CYBMUJFWSA-N 0 0 325.424 4.084 20 10 EICDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cccc(-n2cccn2)c1 ZINC000185616447 1052662286 /nfs/dbraw/zinc/66/22/86/1052662286.db2.gz RCLNTUGVWLUSKX-KBPBESRZSA-N 0 0 325.387 4.129 20 10 EICDRN Cc1cc(C)cc(N2C(=O)/C(=C\c3cccnc3)SC2=S)c1 ZINC000073139257 1052763077 /nfs/dbraw/zinc/76/30/77/1052763077.db2.gz BOUZSNZKJQBCNN-OQLLNIDSSA-N 0 0 326.446 4.104 20 10 EICDRN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccccn2)SC1=S ZINC000073139234 1052763247 /nfs/dbraw/zinc/76/32/47/1052763247.db2.gz QQGGVIUDSKWDLB-NTEUORMPSA-N 0 0 346.864 4.449 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000764322087 1053059631 /nfs/dbraw/zinc/05/96/31/1053059631.db2.gz IMPFBTCZGUROEN-LLVKDONJSA-N 0 0 333.453 4.251 20 10 EICDRN COc1cc(CNc2cccc([S@](C)=O)c2)c(O)c(C(C)(C)C)c1 ZINC000850208587 1053087672 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COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CC2CCCCC2)c1 ZINC000772453338 1046634333 /nfs/dbraw/zinc/63/43/33/1046634333.db2.gz NWKIZAYEUXUVFS-UONOGXRCSA-N 0 0 334.460 4.120 20 10 EICDRN CN(C(=O)/C=C\c1cncc(F)c1)c1ccc(-c2nccs2)cc1 ZINC001129684555 1046650987 /nfs/dbraw/zinc/65/09/87/1046650987.db2.gz YCQCOXJBGZFLNX-UQCOIBPSSA-N 0 0 339.395 4.020 20 10 EICDRN c1cc2c(ccnc2NCc2ccc(N3CCSCC3)cc2)s1 ZINC000917083979 1046658160 /nfs/dbraw/zinc/65/81/60/1046658160.db2.gz JVTGRWHPKLBPMR-UHFFFAOYSA-N 0 0 341.505 4.462 20 10 EICDRN CO[C@](C)([C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1 ZINC001129729789 1046685226 /nfs/dbraw/zinc/68/52/26/1046685226.db2.gz UJDQDAIYWNCHNY-HRAATJIYSA-N 0 0 340.467 4.028 20 10 EICDRN Oc1c(CNc2cnc3c(c2)CCC3)cc(Cl)c2cccnc12 ZINC001168522859 1046700230 /nfs/dbraw/zinc/70/02/30/1046700230.db2.gz JZHYEHKNHBJRNN-UHFFFAOYSA-N 0 0 325.799 4.090 20 10 EICDRN COc1cc(C)cc(NCc2cccc(Br)c2O)c1C ZINC000785542901 1046704776 /nfs/dbraw/zinc/70/47/76/1046704776.db2.gz 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ZINC000786332275 1046830750 /nfs/dbraw/zinc/83/07/50/1046830750.db2.gz UAPSUHCOXPJFHP-UHFFFAOYSA-N 0 0 325.364 4.038 20 10 EICDRN O=C(NCc1ccccc1O)Nc1ccc(-c2ccco2)cc1F ZINC000786488630 1046841582 /nfs/dbraw/zinc/84/15/82/1046841582.db2.gz MRJPNDXPIRIZQN-UHFFFAOYSA-N 0 0 326.327 4.113 20 10 EICDRN C[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)CC(C)(C)C ZINC000917387390 1046865275 /nfs/dbraw/zinc/86/52/75/1046865275.db2.gz WVJYEQXCXQJORL-INIZCTEOSA-N 0 0 348.556 4.318 20 10 EICDRN C[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1c[nH]c2ccccc21 ZINC000786765028 1046867425 /nfs/dbraw/zinc/86/74/25/1046867425.db2.gz NQDITCNXQXTEDQ-MRXNPFEDSA-N 0 0 349.478 4.386 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000917524560 1046929191 /nfs/dbraw/zinc/92/91/91/1046929191.db2.gz WPYLXBTWMAKYBK-JYRVWZFOSA-N 0 0 328.843 4.078 20 10 EICDRN CC(C)COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000917524553 1046930274 /nfs/dbraw/zinc/93/02/74/1046930274.db2.gz VNKVBCGROKKNKO-UHFFFAOYSA-N 0 0 340.467 4.060 20 10 EICDRN CC(C)c1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1Cl ZINC000787254400 1046959158 /nfs/dbraw/zinc/95/91/58/1046959158.db2.gz WFQIOEYIPGPGIX-GFCCVEGCSA-N 0 0 347.842 4.236 20 10 EICDRN CN(Cc1ccccc1O)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000805745895 1047000134 /nfs/dbraw/zinc/00/01/34/1047000134.db2.gz KNPRTJQVIHOZBI-UHFFFAOYSA-N 0 0 331.284 4.321 20 10 EICDRN C[C@@H]1CCCC[C@H]1NC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917594545 1047013896 /nfs/dbraw/zinc/01/38/96/1047013896.db2.gz BYROFNQBFCPFAR-DNVCBOLYSA-N 0 0 345.556 4.170 20 10 EICDRN COc1cc(C)cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C ZINC000787651570 1047034194 /nfs/dbraw/zinc/03/41/94/1047034194.db2.gz QFDMECXCLNJNBG-UHFFFAOYSA-N 0 0 349.434 4.367 20 10 EICDRN CCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000917646997 1047047099 /nfs/dbraw/zinc/04/70/99/1047047099.db2.gz CTHZESQIYFNXPP-UHFFFAOYSA-N 0 0 340.467 4.202 20 10 EICDRN O=C(/C=C/c1ccc(O)c(O)c1)OC/C=C/c1ccc(Cl)cc1 ZINC000787747094 1047048983 /nfs/dbraw/zinc/04/89/83/1047048983.db2.gz FOMHATGMJJHTDR-AZDGLYNZSA-N 0 0 330.767 4.021 20 10 EICDRN Cc1cc([C@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)c(C)s1 ZINC000746718610 1047074723 /nfs/dbraw/zinc/07/47/23/1047074723.db2.gz KXDSPSBGXATDEG-LBPRGKRZSA-N 0 0 349.475 4.130 20 10 EICDRN Cc1cncc(/C=C\C(=O)N2CCCSc3ccc(F)cc32)c1 ZINC000787986380 1047086016 /nfs/dbraw/zinc/08/60/16/1047086016.db2.gz CRQUAYGUHDQMKP-UTCJRWHESA-N 0 0 328.412 4.071 20 10 EICDRN C[C@@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)[C@H](C)O ZINC000917764925 1047110518 /nfs/dbraw/zinc/11/05/18/1047110518.db2.gz FBBRABRZPVQXAQ-GBEOUODZSA-N 0 0 349.502 4.374 20 10 EICDRN CC[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000806128151 1047150802 /nfs/dbraw/zinc/15/08/02/1047150802.db2.gz GPRIQPIXDDOMAJ-QFBILLFUSA-N 0 0 344.886 4.361 20 10 EICDRN COC[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(Cl)c1F ZINC000806128297 1047151031 /nfs/dbraw/zinc/15/10/31/1047151031.db2.gz QNYYODHCBMXPOE-QGZVFWFLSA-N 0 0 336.838 4.022 20 10 EICDRN CC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1cccc(Cl)c1[O-] ZINC000806130731 1047156131 /nfs/dbraw/zinc/15/61/31/1047156131.db2.gz BKPSPTFXHRVYGH-INIZCTEOSA-N 0 0 334.847 4.469 20 10 EICDRN C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cc(F)cc(F)c1[O-] ZINC000806176351 1047162991 /nfs/dbraw/zinc/16/29/91/1047162991.db2.gz KQQQJZRNKKAIDZ-HWPZZCPQSA-N 0 0 341.785 4.098 20 10 EICDRN CC[C@H]([NH2+]CC1(CCO)CCCCC1)c1cccc(Cl)c1[O-] ZINC000806141983 1047164629 /nfs/dbraw/zinc/16/46/29/1047164629.db2.gz BLEVBWUURHMLSL-INIZCTEOSA-N 0 0 325.880 4.419 20 10 EICDRN CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000806141723 1047165356 /nfs/dbraw/zinc/16/53/56/1047165356.db2.gz LUCYNKLJVPNLMG-AWEZNQCLSA-N 0 0 327.852 4.208 20 10 EICDRN CC[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc(Cl)c1[O-] ZINC000806141629 1047165871 /nfs/dbraw/zinc/16/58/71/1047165871.db2.gz UTVHSJCINJVVLC-GDBMZVCRSA-N 0 0 325.861 4.056 20 10 EICDRN C[C@H](NC(=O)Nc1cccc2ccn(C)c21)c1ccc(N(C)C)cc1 ZINC000788313986 1047167327 /nfs/dbraw/zinc/16/73/27/1047167327.db2.gz DSWSLBIDXMSXQM-AWEZNQCLSA-N 0 0 336.439 4.127 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144677 1047171077 /nfs/dbraw/zinc/17/10/77/1047171077.db2.gz YXSGJMMAGGBYIO-HZMBPMFUSA-N 0 0 328.243 4.025 20 10 EICDRN CC[C@H]([NH2+][C@H](CCO)C1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806144296 1047171110 /nfs/dbraw/zinc/17/11/10/1047171110.db2.gz USPMARYYIGNHNF-DLBZAZTESA-N 0 0 325.880 4.418 20 10 EICDRN CC[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cccc(Cl)c1[O-] ZINC000806146268 1047171390 /nfs/dbraw/zinc/17/13/90/1047171390.db2.gz MOSWRKMLCAXZKR-ROUUACIJSA-N 0 0 331.843 4.400 20 10 EICDRN CC[C@@H]([NH2+][C@@H](CO)c1sccc1C)c1cccc(Cl)c1[O-] ZINC000806148689 1047172446 /nfs/dbraw/zinc/17/24/46/1047172446.db2.gz WWDLFCAKOUWMCK-KGLIPLIRSA-N 0 0 325.861 4.190 20 10 EICDRN CC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cccc(Cl)c1[O-] ZINC000806147649 1047173088 /nfs/dbraw/zinc/17/30/88/1047173088.db2.gz ZKDCTAYBVVWNHL-GJZGRUSLSA-N 0 0 341.785 4.098 20 10 EICDRN CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1[O-] ZINC000806149500 1047174622 /nfs/dbraw/zinc/17/46/22/1047174622.db2.gz FNBQHOUQSRBSQK-INIZCTEOSA-N 0 0 334.803 4.237 20 10 EICDRN CC[C@@H](Nc1cccc(N2CCOCC2)c1)c1cccc(Cl)c1O ZINC000806151627 1047175252 /nfs/dbraw/zinc/17/52/52/1047175252.db2.gz OFHMFFTYMRBWQI-GOSISDBHSA-N 0 0 346.858 4.445 20 10 EICDRN C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1nccn1-c1ccccc1 ZINC000806176211 1047176930 /nfs/dbraw/zinc/17/69/30/1047176930.db2.gz JNXQUTJUXHKIAF-STQMWFEESA-N 0 0 343.377 4.268 20 10 EICDRN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(Cl)c1[O-] ZINC000806154200 1047179716 /nfs/dbraw/zinc/17/97/16/1047179716.db2.gz DOLQAWASJGKJQX-AETAKHFUSA-N 0 0 335.875 4.434 20 10 EICDRN CC[C@H](Nc1ccc2ccc(=O)n(C)c2c1)c1cccc(Cl)c1O ZINC000806163165 1047186167 /nfs/dbraw/zinc/18/61/67/1047186167.db2.gz MOFMKVIOEFQCBF-INIZCTEOSA-N 0 0 342.826 4.461 20 10 EICDRN CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806164924 1047188797 /nfs/dbraw/zinc/18/87/97/1047188797.db2.gz AVJOFHSHBWMMGM-ZETOZRRWSA-N 0 0 332.271 4.412 20 10 EICDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(C(C)C)cc2)cc1 ZINC001130544309 1047191562 /nfs/dbraw/zinc/19/15/62/1047191562.db2.gz NFCDCWBQDWFQOP-UHFFFAOYSA-N 0 0 340.467 4.027 20 10 EICDRN Cc1ccccc1C1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000788499995 1047204086 /nfs/dbraw/zinc/20/40/86/1047204086.db2.gz HTCXLKALYPTUIU-UHFFFAOYSA-N 0 0 348.490 4.333 20 10 EICDRN C[C@@H](O)CCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000788543977 1047218314 /nfs/dbraw/zinc/21/83/14/1047218314.db2.gz FVAMSNYELAGMEQ-CQSZACIVSA-N 0 0 326.400 4.385 20 10 EICDRN CO[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccccc1 ZINC000788561173 1047225636 /nfs/dbraw/zinc/22/56/36/1047225636.db2.gz FYGXBXIAOWTAFS-BLLLJJGKSA-N 0 0 339.357 4.449 20 10 EICDRN Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788602265 1047243062 /nfs/dbraw/zinc/24/30/62/1047243062.db2.gz APHVJBYYQOBMFG-RKDXNWHRSA-N 0 0 328.334 4.428 20 10 EICDRN CCc1cnc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000788607055 1047246377 /nfs/dbraw/zinc/24/63/77/1047246377.db2.gz BTWUPWFPQQRKAO-SECBINFHSA-N 0 0 330.375 4.281 20 10 EICDRN C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788642066 1047257524 /nfs/dbraw/zinc/25/75/24/1047257524.db2.gz DDHCLEFLGGZNHR-BDAKNGLRSA-N 0 0 345.283 4.029 20 10 EICDRN CCCCOc1ccccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000917999995 1047268104 /nfs/dbraw/zinc/26/81/04/1047268104.db2.gz GORMLIHBBFWXNW-UHFFFAOYSA-N 0 0 341.455 4.253 20 10 EICDRN Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000788670120 1047268445 /nfs/dbraw/zinc/26/84/45/1047268445.db2.gz RQUCEJCZFOGYES-WBMJQRKESA-N 0 0 339.357 4.104 20 10 EICDRN Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788668661 1047268524 /nfs/dbraw/zinc/26/85/24/1047268524.db2.gz XMSGUCVQMUIEFJ-GXFFZTMASA-N 0 0 345.386 4.165 20 10 EICDRN C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788669969 1047269009 /nfs/dbraw/zinc/26/90/09/1047269009.db2.gz HASSWCSACWGQGN-VXGBXAGGSA-N 0 0 329.362 4.163 20 10 EICDRN CCN(CC)c1ccc(CN(C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000918020059 1047291662 /nfs/dbraw/zinc/29/16/62/1047291662.db2.gz KYQCYGQPPQBAJJ-UHFFFAOYSA-N 0 0 333.457 4.135 20 10 EICDRN C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788817777 1047318061 /nfs/dbraw/zinc/31/80/61/1047318061.db2.gz NBFWRLSWMFCPKK-NSHDSACASA-N 0 0 349.356 4.181 20 10 EICDRN CN(C)c1ccc(CNc2cnc(C3CC3)nc2)c(C(F)(F)F)c1 ZINC000788866374 1047325881 /nfs/dbraw/zinc/32/58/81/1047325881.db2.gz YQDNZIRSOMXBRC-UHFFFAOYSA-N 0 0 336.361 4.051 20 10 EICDRN C[C@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ncnn1C ZINC000788885978 1047328783 /nfs/dbraw/zinc/32/87/83/1047328783.db2.gz QCIWBWXCFKMKTN-ZDUSSCGKSA-N 0 0 349.398 4.113 20 10 EICDRN CCOC[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])C(C)C ZINC000788984599 1047339798 /nfs/dbraw/zinc/33/97/98/1047339798.db2.gz LAVCSRGTRKYBHQ-IINYFYTJSA-N 0 0 348.256 4.006 20 10 EICDRN Cc1cccc(N(Cc2ccccc2)C(=O)/C=C\c2cnccn2)c1 ZINC000918147005 1047347562 /nfs/dbraw/zinc/34/75/62/1047347562.db2.gz DZDKGTZYCUJNCI-KHPPLWFESA-N 0 0 329.403 4.032 20 10 EICDRN C[C@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(Br)cc1O ZINC000806661869 1047348072 /nfs/dbraw/zinc/34/80/72/1047348072.db2.gz FVTDRVHCKNLGRI-JVXZTZIISA-N 0 0 338.167 4.146 20 10 EICDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc(F)cc1Cl ZINC001130719633 1047349346 /nfs/dbraw/zinc/34/93/46/1047349346.db2.gz CCACPLWSMYWIFC-XVNBXDOJSA-N 0 0 325.170 4.204 20 10 EICDRN CC[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000788979998 1047350491 /nfs/dbraw/zinc/35/04/91/1047350491.db2.gz JNBOHZLGWZLFQE-SECBINFHSA-N 0 0 332.149 4.276 20 10 EICDRN O=C(NCc1ccccc1O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000806718088 1047350745 /nfs/dbraw/zinc/35/07/45/1047350745.db2.gz RSSQWMPDZFUAKC-UHFFFAOYSA-N 0 0 341.426 4.341 20 10 EICDRN O=C(/C=C/c1cnccn1)N(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000918168791 1047356317 /nfs/dbraw/zinc/35/63/17/1047356317.db2.gz MZGDWGXNNNZENG-DHZHZOJOSA-N 0 0 349.821 4.377 20 10 EICDRN COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)CC[C@H](C)C2(C)C)cc1 ZINC001130744618 1047363110 /nfs/dbraw/zinc/36/31/10/1047363110.db2.gz DLGVWPDYUJWYNE-KKSFZXQISA-N 0 0 346.515 4.052 20 10 EICDRN C[C@H](Nc1ccc2c(c1)CC(C)(C)O2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757613314 1047371057 /nfs/dbraw/zinc/37/10/57/1047371057.db2.gz KLYWQFRTDPPBEK-NSHDSACASA-N 0 0 328.368 4.187 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000918233777 1047386931 /nfs/dbraw/zinc/38/69/31/1047386931.db2.gz OSRBGUXYYCHRKP-KRWDZBQOSA-N 0 0 339.483 4.354 20 10 EICDRN CCC1CCC(NC(=O)N(CC)Cc2ccc(N(C)C)cc2)CC1 ZINC000918232693 1047387086 /nfs/dbraw/zinc/38/70/86/1047387086.db2.gz NNPIRLSZIBGNSM-UHFFFAOYSA-N 0 0 331.504 4.253 20 10 EICDRN Cc1cc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)c(C)n1-c1ccccn1 ZINC000918329997 1047404923 /nfs/dbraw/zinc/40/49/23/1047404923.db2.gz YZKAVZQTVAWCDT-DYVFJYSZSA-N 0 0 349.434 4.136 20 10 EICDRN Cc1cc(C(=O)NC2CCOCC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000918343298 1047412247 /nfs/dbraw/zinc/41/22/47/1047412247.db2.gz WAYJQJHHIVZRRV-UHFFFAOYSA-N 0 0 340.467 4.126 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)c2csc(C3CC3)n2)cc1 ZINC000747377710 1047428167 /nfs/dbraw/zinc/42/81/67/1047428167.db2.gz HZGXWRRSTQTDBQ-UHFFFAOYSA-N 0 0 343.496 4.139 20 10 EICDRN Oc1c(F)cc(Cl)cc1CN1CCC[C@@H](O)c2cc(F)ccc21 ZINC000789573614 1047441212 /nfs/dbraw/zinc/44/12/12/1047441212.db2.gz MOCOSSPEHHNROB-MRXNPFEDSA-N 0 0 339.769 4.158 20 10 EICDRN CC(C)(C)[C@H]1CN(C(=O)NCCc2ccc(N)cc2)c2ccccc21 ZINC000841960276 1047445660 /nfs/dbraw/zinc/44/56/60/1047445660.db2.gz ZXHYRYHWNBBJNG-SFHVURJKSA-N 0 0 337.467 4.171 20 10 EICDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(F)c(F)cc1F ZINC000746839302 1047456630 /nfs/dbraw/zinc/45/66/30/1047456630.db2.gz NFKNZVJHJWLVGE-UHFFFAOYSA-N 0 0 348.368 4.024 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000789733807 1047466344 /nfs/dbraw/zinc/46/63/44/1047466344.db2.gz ZEYHVICSIHLHLY-UHFFFAOYSA-N 0 0 339.483 4.183 20 10 EICDRN COc1cccc([C@@H](C)CCCC(=O)N(C)Cc2ccccc2O)c1 ZINC000789982289 1047496792 /nfs/dbraw/zinc/49/67/92/1047496792.db2.gz KMVQARNGBPRBBY-INIZCTEOSA-N 0 0 341.451 4.333 20 10 EICDRN COc1ccsc1/C=C1/SC(=S)N(c2ccsc2)C1=O ZINC000790108171 1047514063 /nfs/dbraw/zinc/51/40/63/1047514063.db2.gz NRBBRMSUNXEAAK-IZZDOVSWSA-N 0 0 339.488 4.224 20 10 EICDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(Oc2cccnc2)cc1 ZINC000807899143 1047532642 /nfs/dbraw/zinc/53/26/42/1047532642.db2.gz AWAMNROOUBVCGB-GFCCVEGCSA-N 0 0 340.404 4.132 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2nccc(C3CC3)n2)cc1 ZINC001131092813 1047544247 /nfs/dbraw/zinc/54/42/47/1047544247.db2.gz UJCFSVBFXQMVQH-UHFFFAOYSA-N 0 0 332.407 4.014 20 10 EICDRN Cc1cc(C(=O)NCc2cccc(C)n2)c(C)n1-c1cccc(C)c1 ZINC000918647223 1047560409 /nfs/dbraw/zinc/56/04/09/1047560409.db2.gz JRMSBCAOLOVMPJ-UHFFFAOYSA-N 0 0 333.435 4.036 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(C(F)F)c1 ZINC000790486964 1047596280 /nfs/dbraw/zinc/59/62/80/1047596280.db2.gz RUHGBOQXXMYJSR-UHFFFAOYSA-N 0 0 346.421 4.281 20 10 EICDRN O=C(OC[C@@H]1CCOC1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000918950858 1047703990 /nfs/dbraw/zinc/70/39/90/1047703990.db2.gz AOONLWQWVSTHEY-CYBMUJFWSA-N 0 0 326.352 4.001 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000814172132 1047873836 /nfs/dbraw/zinc/87/38/36/1047873836.db2.gz ZRFJMTONAYJSFG-UHFFFAOYSA-N 0 0 332.762 4.130 20 10 EICDRN CC(C)Oc1cccc(/C=C2/SC(=S)N(C3CCC3)C2=O)c1 ZINC000814185490 1047882104 /nfs/dbraw/zinc/88/21/04/1047882104.db2.gz ILKOYJFNFIKHGZ-XNTDXEJSSA-N 0 0 333.478 4.228 20 10 EICDRN COc1cc(Cl)cc(CNc2ccccc2OCCF)c1O ZINC000824559059 1047884343 /nfs/dbraw/zinc/88/43/43/1047884343.db2.gz DMWOEINHDZJSFW-UHFFFAOYSA-N 0 0 325.767 4.015 20 10 EICDRN CCN(C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)C1CCC1 ZINC001136908583 1047895804 /nfs/dbraw/zinc/89/58/04/1047895804.db2.gz GMLNIEBLPXJWSU-UHFFFAOYSA-N 0 0 338.451 4.230 20 10 EICDRN CCCN(CCC)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000814269714 1047913599 /nfs/dbraw/zinc/91/35/99/1047913599.db2.gz CKPXPUJDGVMAIU-QINSGFPZSA-N 0 0 334.510 4.144 20 10 EICDRN Cc1cc(O)c(CNc2ccc(NC(=O)C3CC3)cc2)cc1Cl ZINC000824963523 1048006443 /nfs/dbraw/zinc/00/64/43/1048006443.db2.gz UHLNUHDOXZIOPD-UHFFFAOYSA-N 0 0 330.815 4.315 20 10 EICDRN O=C([C@H]1CC12CCCC2)N(Cc1ccco1)Cc1ccccc1O ZINC000747518950 1048028944 /nfs/dbraw/zinc/02/89/44/1048028944.db2.gz SSSONJAQXBLRNZ-QGZVFWFLSA-N 0 0 325.408 4.094 20 10 EICDRN Cc1cc(Cl)cc([C@H](C)Nc2cccc([C@H]3CNC(=O)C3)c2)c1O ZINC000808714527 1048062869 /nfs/dbraw/zinc/06/28/69/1048062869.db2.gz YIRDNRBODRLNTA-GXTWGEPZSA-N 0 0 344.842 4.131 20 10 EICDRN Cc1cc(O)c(CNCc2nc(C(F)(F)F)cs2)cc1Cl ZINC000825297309 1048066684 /nfs/dbraw/zinc/06/66/84/1048066684.db2.gz AOWDAAVQFYEGSR-UHFFFAOYSA-N 0 0 336.766 4.119 20 10 EICDRN CCOCC(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000808724169 1048074086 /nfs/dbraw/zinc/07/40/86/1048074086.db2.gz CHBQLUKXSGDYAZ-SNVBAGLBSA-N 0 0 348.256 4.007 20 10 EICDRN Cc1cc(C(=O)N[C@@H]2CCc3c2cccc3F)c(C)n1-c1ccccn1 ZINC000919835874 1048131353 /nfs/dbraw/zinc/13/13/53/1048131353.db2.gz RFSOEGUJGJYGEN-LJQANCHMSA-N 0 0 349.409 4.046 20 10 EICDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000747976743 1048161901 /nfs/dbraw/zinc/16/19/01/1048161901.db2.gz VDXADRDYQXOYMD-CVEARBPZSA-N 0 0 341.476 4.061 20 10 EICDRN Cn1ccnc1CNc1cc(Cl)ccc1C(=O)c1ccc(F)cc1 ZINC000809195223 1048266734 /nfs/dbraw/zinc/26/67/34/1048266734.db2.gz OYOLHNZKIAPUQY-UHFFFAOYSA-N 0 0 343.789 4.056 20 10 EICDRN CCOc1ccc(F)c(CN(C)Cc2ccc(N(C)C)cc2)c1F ZINC001143946144 1048312035 /nfs/dbraw/zinc/31/20/35/1048312035.db2.gz BIUQXIFQUKICGT-UHFFFAOYSA-N 0 0 334.410 4.062 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc3c(c2)C(=O)OC3)cc1 ZINC000809351162 1048317554 /nfs/dbraw/zinc/31/75/54/1048317554.db2.gz LPVKSLNZUZYKGI-UHFFFAOYSA-N 0 0 346.386 4.017 20 10 EICDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1C[C@H]1C1CCCC1 ZINC000844423076 1048319950 /nfs/dbraw/zinc/31/99/50/1048319950.db2.gz MRSKLPGXRKSGNI-HOTGVXAUSA-N 0 0 346.434 4.161 20 10 EICDRN CN(Cc1ccc(N2CCCCC2)cc1)c1cccc(F)c1[N+](=O)[O-] ZINC000919962069 1048347686 /nfs/dbraw/zinc/34/76/86/1048347686.db2.gz GMEGOPGQSNPSBF-UHFFFAOYSA-N 0 0 343.402 4.361 20 10 EICDRN CC(=O)N(c1ccc(NCc2cc(Cl)ccc2O)cc1)[C@H]1C[C@H]1C ZINC000815164921 1048356255 /nfs/dbraw/zinc/35/62/55/1048356255.db2.gz UKGVWFXDTJCCNZ-XIKOKIGWSA-N 0 0 344.842 4.419 20 10 EICDRN Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)ccn1C(C)C ZINC000815135624 1048361125 /nfs/dbraw/zinc/36/11/25/1048361125.db2.gz QNBCBMCZLFOYLF-UHFFFAOYSA-N 0 0 339.483 4.298 20 10 EICDRN COc1cc(Br)cc(CNc2cccc(C3CC3)n2)c1O ZINC000815143344 1048365906 /nfs/dbraw/zinc/36/59/06/1048365906.db2.gz IBISHLYJRSVXQY-UHFFFAOYSA-N 0 0 349.228 4.048 20 10 EICDRN CC[C@@H](C)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000920048789 1048397117 /nfs/dbraw/zinc/39/71/17/1048397117.db2.gz KYYHXLMCJOQKCC-IAGOWNOFSA-N 0 0 331.504 4.253 20 10 EICDRN OCc1cccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)c1 ZINC000809649857 1048453605 /nfs/dbraw/zinc/45/36/05/1048453605.db2.gz GBDUOVCQJUWISJ-UHFFFAOYSA-N 0 0 344.458 4.354 20 10 EICDRN C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809701476 1048466282 /nfs/dbraw/zinc/46/62/82/1048466282.db2.gz XWSHJZXDONPTGC-RISCZKNCSA-N 0 0 332.271 4.215 20 10 EICDRN Cc1ccc(CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)cn1 ZINC000809731948 1048485311 /nfs/dbraw/zinc/48/53/11/1048485311.db2.gz YKJUGPNYNMVYRO-UHFFFAOYSA-N 0 0 335.451 4.251 20 10 EICDRN Cc1cc(=O)oc2cc(N(C)Cc3cccc(Cl)c3O)ccc12 ZINC000809724058 1048500161 /nfs/dbraw/zinc/50/01/61/1048500161.db2.gz DNBQFHXPKWADKA-UHFFFAOYSA-N 0 0 329.783 4.097 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000809774891 1048506073 /nfs/dbraw/zinc/50/60/73/1048506073.db2.gz TYYCYIWHJYWAJX-UHFFFAOYSA-N 0 0 348.233 4.175 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000809775828 1048507210 /nfs/dbraw/zinc/50/72/10/1048507210.db2.gz KKPZOKYBHWBDBS-UHFFFAOYSA-N 0 0 332.614 4.348 20 10 EICDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000809775842 1048507646 /nfs/dbraw/zinc/50/76/46/1048507646.db2.gz LISKROPEYFADMO-SECBINFHSA-N 0 0 342.222 4.264 20 10 EICDRN Cc1cccc2nc(C[NH2+][C@@H](C)c3cccc(C(F)(F)F)c3[O-])cn21 ZINC000815578254 1048519025 /nfs/dbraw/zinc/51/90/25/1048519025.db2.gz KOOIXMTUYQTTGU-LBPRGKRZSA-N 0 0 349.356 4.218 20 10 EICDRN CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000809765223 1048525369 /nfs/dbraw/zinc/52/53/69/1048525369.db2.gz LLRZPAXMDYMEHS-INIZCTEOSA-N 0 0 349.272 4.441 20 10 EICDRN C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815590754 1048526699 /nfs/dbraw/zinc/52/66/99/1048526699.db2.gz HZPCFWJOJDVKOH-SNVBAGLBSA-N 0 0 340.301 4.170 20 10 EICDRN CCn1nc(C)c(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])c1C ZINC000815574607 1048539010 /nfs/dbraw/zinc/53/90/10/1048539010.db2.gz WHCVVOBXTDLNEA-JTQLQIEISA-N 0 0 341.377 4.095 20 10 EICDRN C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815617868 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C[C@@H](NC(=O)NCc1ccccc1O)c1ccc(-c2cccnc2)cc1 ZINC000747583241 1048576219 /nfs/dbraw/zinc/57/62/19/1048576219.db2.gz ACFWJUDUZCJXDB-OAHLLOKOSA-N 0 0 347.418 4.015 20 10 EICDRN O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)NCc1cc(Cl)c2cccnc2c1O ZINC001144301668 1048579608 /nfs/dbraw/zinc/57/96/08/1048579608.db2.gz TZZGDZIHEOZXCP-AGIUHOORSA-N 0 0 344.842 4.036 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cn(C)nc2C(F)F)cc1 ZINC001135154552 1048581544 /nfs/dbraw/zinc/58/15/44/1048581544.db2.gz FACPQSJYBDSHBY-UHFFFAOYSA-N 0 0 344.365 4.018 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(C(C)C)cn2)cc1 ZINC000809973767 1048585198 /nfs/dbraw/zinc/58/51/98/1048585198.db2.gz AAUUFEKZLPPETM-UHFFFAOYSA-N 0 0 339.483 4.323 20 10 EICDRN O=C(NCCCSc1nccs1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001144321972 1048590753 /nfs/dbraw/zinc/59/07/53/1048590753.db2.gz DXVWXDNXPXQPRG-SHTZXODSSA-N 0 0 338.542 4.348 20 10 EICDRN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COc1ccc(N(C)C)cc1 ZINC000810001783 1048599215 /nfs/dbraw/zinc/59/92/15/1048599215.db2.gz 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OC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)c2ccccc21 ZINC000816637271 1048846384 /nfs/dbraw/zinc/84/63/84/1048846384.db2.gz YMCMWAPXUJVWGO-IBGZPJMESA-N 0 0 331.415 4.155 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846571857 1048874608 /nfs/dbraw/zinc/87/46/08/1048874608.db2.gz NHEXERAZFAOPLT-LJQANCHMSA-N 0 0 344.405 4.356 20 10 EICDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cccc(-c2ccccn2)c1 ZINC000747691948 1049015276 /nfs/dbraw/zinc/01/52/76/1049015276.db2.gz XKYUAOYGKIYHGU-NBVRZTHBSA-N 0 0 349.459 4.205 20 10 EICDRN COc1ccc(N(Cc2cccc3c2CCOC3)CC(C)C)cc1 ZINC001171279562 1049040404 /nfs/dbraw/zinc/04/04/04/1049040404.db2.gz VMNMVBVWYCFFHG-UHFFFAOYSA-N 0 0 325.452 4.431 20 10 EICDRN Cc1ncsc1CCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817761996 1049040614 /nfs/dbraw/zinc/04/06/14/1049040614.db2.gz NUZYAVJLWQZHMP-UHFFFAOYSA-N 0 0 328.437 4.098 20 10 EICDRN C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955391 1049065821 /nfs/dbraw/zinc/06/58/21/1049065821.db2.gz 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O=C(c1ccncc1)c1ccccc1Nc1cncc(C(F)(F)F)c1 ZINC001174746535 1051176211 /nfs/dbraw/zinc/17/62/11/1051176211.db2.gz GGEXXQGBXIRMBA-UHFFFAOYSA-N 0 0 343.308 4.470 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC001181276281 1051196436 /nfs/dbraw/zinc/19/64/36/1051196436.db2.gz LLSNSEOXYMQKIE-HNNXBMFYSA-N 0 0 340.870 4.071 20 10 EICDRN Cc1cc(C)c(CNC(=O)c2csc(-c3cccs3)n2)c(O)c1 ZINC001190579570 1051223463 /nfs/dbraw/zinc/22/34/63/1051223463.db2.gz ZATZRQBMJKAZJV-UHFFFAOYSA-N 0 0 344.461 4.124 20 10 EICDRN COc1ccc(N(C)Cc2cccc(F)c2OC(F)F)cc1OC ZINC001190673004 1051253993 /nfs/dbraw/zinc/25/39/93/1051253993.db2.gz IHUJQTOZDWFWHV-UHFFFAOYSA-N 0 0 341.329 4.081 20 10 EICDRN C[C@H](NC(=O)C/C=C\c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775404242 1051258338 /nfs/dbraw/zinc/25/83/38/1051258338.db2.gz MGEDVWJCUWMBNR-XVWMLYKFSA-N 0 0 326.415 4.172 20 10 EICDRN C/C(=C/C(=O)N1Cc2cccc(O)c2C1)c1cccc(C(F)(F)F)c1 ZINC001175031977 1051325007 /nfs/dbraw/zinc/32/50/07/1051325007.db2.gz 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Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001182424482 1051544557 /nfs/dbraw/zinc/54/45/57/1051544557.db2.gz UOFCCSXSLXUSCW-AWEZNQCLSA-N 0 0 332.875 4.141 20 10 EICDRN Cc1cc(C)c(CNC(=O)c2ccncc2-c2ccccc2)c(O)c1 ZINC001191909104 1051573054 /nfs/dbraw/zinc/57/30/54/1051573054.db2.gz MYGRHXVLVLIKSI-UHFFFAOYSA-N 0 0 332.403 4.001 20 10 EICDRN C[C@H](Nc1cnn(C)c1C1CC1)c1cc(Cl)c(Cl)cc1O ZINC000774354189 1051573634 /nfs/dbraw/zinc/57/36/34/1051573634.db2.gz CUAVUJBQMGXFQR-QMMMGPOBSA-N 0 0 326.227 4.483 20 10 EICDRN CCCOC(=O)[C@H](C)N(CCc1ccccc1)c1ccc(OC)cc1 ZINC001191892132 1051579314 /nfs/dbraw/zinc/57/93/14/1051579314.db2.gz ULSYNSRHDOSBEC-KRWDZBQOSA-N 0 0 341.451 4.086 20 10 EICDRN Cn1ncc2cc(N(c3ccc(N)cc3)c3ccc(N)cc3)ccc21 ZINC001175422808 1051583747 /nfs/dbraw/zinc/58/37/47/1051583747.db2.gz SIGWNGNFFQTUNR-UHFFFAOYSA-N 0 0 329.407 4.208 20 10 EICDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1N(C)C ZINC000775489371 1051584249 /nfs/dbraw/zinc/58/42/49/1051584249.db2.gz 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CC[C@@H](Nc1cnn(-c2ccccn2)c1)c1cc(Cl)ccc1O ZINC000775541023 1051783716 /nfs/dbraw/zinc/78/37/16/1051783716.db2.gz SGEONXBAKFFUQE-OAHLLOKOSA-N 0 0 328.803 4.190 20 10 EICDRN COc1c(Cl)cccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775555717 1051839489 /nfs/dbraw/zinc/83/94/89/1051839489.db2.gz BORXOVFKGBSLQB-GFCCVEGCSA-N 0 0 347.846 4.297 20 10 EICDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2ccnc(C3CC3)c2)cc1 ZINC001193007588 1051847006 /nfs/dbraw/zinc/84/70/06/1051847006.db2.gz OJPIBUQNXQTWCQ-UHFFFAOYSA-N 0 0 343.430 4.388 20 10 EICDRN Cc1cncc(CCC(=O)N(Cc2ccccc2)c2ccc(N)cc2)c1 ZINC001176070786 1051886748 /nfs/dbraw/zinc/88/67/48/1051886748.db2.gz CTOBEIJOAUIZLX-UHFFFAOYSA-N 0 0 345.446 4.138 20 10 EICDRN CCN(C(=O)CSc1nccs1)c1cccc2ccccc21 ZINC000071972723 1051889798 /nfs/dbraw/zinc/88/97/98/1051889798.db2.gz RAJPZEPYFLDUME-UHFFFAOYSA-N 0 0 328.462 4.442 20 10 EICDRN CC(C)c1ccc([C@@H](C)NC(=O)c2ccc(O)c(O)c2Cl)cc1 ZINC001193246816 1051890404 /nfs/dbraw/zinc/89/04/04/1051890404.db2.gz 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IQZJVCNMZVWMSW-JTQLQIEISA-N 0 0 326.874 4.108 20 10 EICDRN Cc1ccccc1CN1CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185053203 1052379797 /nfs/dbraw/zinc/37/97/97/1052379797.db2.gz AMVAEGWQFNCKDY-MRXNPFEDSA-N 0 0 342.458 4.155 20 10 EICDRN Cc1c2ccccc2n(C)c1CNc1cncc(Br)c1 ZINC000379933554 1052622094 /nfs/dbraw/zinc/62/20/94/1052622094.db2.gz RRMWPUXLTOYZMO-UHFFFAOYSA-N 0 0 330.229 4.256 20 10 EICDRN CC(C)(C)c1nccc(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001168528674 1052634597 /nfs/dbraw/zinc/63/45/97/1052634597.db2.gz YMUPWPIDNGQRLO-UHFFFAOYSA-N 0 0 342.830 4.293 20 10 EICDRN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cccnc2)SC1=S ZINC000073139245 1052763638 /nfs/dbraw/zinc/76/36/38/1052763638.db2.gz PYUTWKOUCDFWGV-RIYZIHGNSA-N 0 0 346.864 4.449 20 10 EICDRN CN(Cc1ccccc1O)Cc1cc(Cl)ccc1Br ZINC001137526404 1053093580 /nfs/dbraw/zinc/09/35/80/1053093580.db2.gz NLVYJHIFZVASGI-UHFFFAOYSA-N 0 0 340.648 4.440 20 10 EICDRN CC(=O)[C@@H](C)CCCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000863941841 1053098589 /nfs/dbraw/zinc/09/85/89/1053098589.db2.gz MZWOPSKMDBPEBS-KRWDZBQOSA-N 0 0 346.515 4.275 20 10 EICDRN COc1ccc2nc(CN(C)c3ccc(OC)c(F)c3)sc2c1 ZINC000775615609 1053117935 /nfs/dbraw/zinc/11/79/35/1053117935.db2.gz QBYJYCRRHKVIPU-UHFFFAOYSA-N 0 0 332.400 4.089 20 10 EICDRN CCOC(=O)/C=C\c1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000863994640 1053117628 /nfs/dbraw/zinc/11/76/28/1053117628.db2.gz HNIWSAHHLGFDFM-YHYXMXQVSA-N 0 0 349.789 4.373 20 10 EICDRN COC(=O)CCc1cccc(NCc2cc(Cl)c(C)cc2O)c1 ZINC000864010846 1053137935 /nfs/dbraw/zinc/13/79/35/1053137935.db2.gz FKZFBVIRJHFLRL-UHFFFAOYSA-N 0 0 333.815 4.072 20 10 EICDRN COCc1ccc(NCc2cccc(OC)c2O)cc1C(F)(F)F ZINC000850370775 1053144499 /nfs/dbraw/zinc/14/44/99/1053144499.db2.gz RLPIQHIOBHWFGZ-UHFFFAOYSA-N 0 0 341.329 4.178 20 10 EICDRN C[C@@H](Nc1cccc(-n2nccn2)c1)c1ccc(N2CCCCC2)cc1 ZINC000864022682 1053155065 /nfs/dbraw/zinc/15/50/65/1053155065.db2.gz MIRYSERPIYLJPV-QGZVFWFLSA-N 0 0 347.466 4.431 20 10 EICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Oc1ccc(F)cc1 ZINC001195021409 1053228800 /nfs/dbraw/zinc/22/88/00/1053228800.db2.gz PYYUQDUAHBWUGW-UHFFFAOYSA-N 0 0 328.387 4.057 20 10 EICDRN CC[C@@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1cccc(Cl)c1[O-] ZINC000850513611 1053273136 /nfs/dbraw/zinc/27/31/36/1053273136.db2.gz HPKQWAUCMZVPGW-MSOLQXFVSA-N 0 0 349.858 4.483 20 10 EICDRN C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cc(F)cc(F)c1[O-] ZINC000850520957 1053276724 /nfs/dbraw/zinc/27/67/24/1053276724.db2.gz KHVXLSYRPNVNOA-JTQLQIEISA-N 0 0 337.341 4.202 20 10 EICDRN C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850534890 1053297854 /nfs/dbraw/zinc/29/78/54/1053297854.db2.gz OZQBPHHIDVAJSH-SECBINFHSA-N 0 0 340.254 4.161 20 10 EICDRN Cc1cc(C)c(CNC(=O)c2cc(Cl)c(Cl)s2)c(O)c1 ZINC001195181957 1053301075 /nfs/dbraw/zinc/30/10/75/1053301075.db2.gz YWRSYYKYVMSYAJ-UHFFFAOYSA-N 0 0 330.236 4.307 20 10 EICDRN C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cccc(C(F)(F)F)c1[O-] ZINC000850542204 1053303988 /nfs/dbraw/zinc/30/39/88/1053303988.db2.gz JDJANUHXAWGTPL-QLJPJBMISA-N 0 0 337.341 4.455 20 10 EICDRN CC[C@H]([NH2+][C@H](c1ccccc1)[C@H](O)C(C)C)c1ccc(F)cc1[O-] ZINC000850554433 1053310789 /nfs/dbraw/zinc/31/07/89/1053310789.db2.gz JPIDWIDILVZQSC-DFQSSKMNSA-N 0 0 331.431 4.330 20 10 EICDRN C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1[O-] ZINC000850555536 1053313093 /nfs/dbraw/zinc/31/30/93/1053313093.db2.gz HRVRXPKFYRTNOJ-JDNHERCYSA-N 0 0 344.213 4.222 20 10 EICDRN COc1cc(N[C@H](C)c2cc(F)ccc2O)ccc1OC(F)F ZINC000850561679 1053318467 /nfs/dbraw/zinc/31/84/67/1053318467.db2.gz NGSAKOLKSWRTKK-SECBINFHSA-N 0 0 327.302 4.314 20 10 EICDRN C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1ccccc1 ZINC000850584753 1053334451 /nfs/dbraw/zinc/33/44/51/1053334451.db2.gz SVMXJCXNPCPUPY-WVQJBOLRSA-N 0 0 340.250 4.472 20 10 EICDRN C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])c1ccccc1 ZINC000850583593 1053336048 /nfs/dbraw/zinc/33/60/48/1053336048.db2.gz MCJHCYSNZLHOPC-LYOVBCGYSA-N 0 0 340.250 4.472 20 10 EICDRN Cc1cccnc1CNC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195253822 1053343479 /nfs/dbraw/zinc/34/34/79/1053343479.db2.gz DRXLVRGEDMKALR-WCWDXBQESA-N 0 0 346.390 4.441 20 10 EICDRN C[C@H]1CN(C(=O)c2ccccc2NN=C2C=CC(=O)C=C2)CCCO1 ZINC001195253931 1053347917 /nfs/dbraw/zinc/34/79/17/1053347917.db2.gz HKZRFKJDUDZOFS-PXKHIBQASA-N 0 0 339.395 4.059 20 10 EICDRN C[C@]1(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)CCCOC1 ZINC001195278463 1053357353 /nfs/dbraw/zinc/35/73/53/1053357353.db2.gz KDPXTSIKAWPGJN-XJUMHSELSA-N 0 0 339.395 4.107 20 10 EICDRN C[C@H](NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1)c1cnccn1 ZINC001195279106 1053358423 /nfs/dbraw/zinc/35/84/23/1053358423.db2.gz MQXPMBNWXUOJHP-LRNBNYQNSA-N 0 0 347.378 4.089 20 10 EICDRN CCc1cccc(N2C(=O)/C(=C\c3ccc(C)nc3)SC2=S)c1 ZINC000764884820 1053358859 /nfs/dbraw/zinc/35/88/59/1053358859.db2.gz GXAKMGGPJWJIMS-MHWRWJLKSA-N 0 0 340.473 4.358 20 10 EICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001195324709 1053362349 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ZINC000797586134 1053538434 /nfs/dbraw/zinc/53/84/34/1053538434.db2.gz WDWSIFSBPXVVLL-ZETCQYMHSA-N 0 0 333.712 4.453 20 10 EICDRN C[C@@H](NCc1c(F)cc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000797586007 1053539595 /nfs/dbraw/zinc/53/95/95/1053539595.db2.gz SITRNQXWPKSAGG-SNVBAGLBSA-N 0 0 326.337 4.160 20 10 EICDRN COc1cc(N[C@H](C)c2cc(C)ccc2O)c(OC)c(C)c1OC ZINC000794843042 1053539864 /nfs/dbraw/zinc/53/98/64/1053539864.db2.gz XXLDDEJQNNPTES-CYBMUJFWSA-N 0 0 331.412 4.208 20 10 EICDRN CN(Cc1cnn(C(C)(C)C)c1)c1ccc(-c2nccs2)cc1 ZINC000852166132 1053555948 /nfs/dbraw/zinc/55/59/48/1053555948.db2.gz LCTRMEZJNOEPAR-UHFFFAOYSA-N 0 0 326.469 4.398 20 10 EICDRN COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000765473179 1053562295 /nfs/dbraw/zinc/56/22/95/1053562295.db2.gz DRKMCWZGTWLBNX-GFCCVEGCSA-N 0 0 336.838 4.405 20 10 EICDRN O=C1/C(=C/c2cccnc2)SC(=S)N1CCCCC(F)(F)F ZINC000794862039 1053582728 /nfs/dbraw/zinc/58/27/28/1053582728.db2.gz MQKBDVBKLAWCIA-FLIBITNWSA-N 0 0 346.399 4.015 20 10 EICDRN Cc1cc(F)ccc1NC(=S)NCc1ccc2ccccc2n1 ZINC001196135324 1053587858 /nfs/dbraw/zinc/58/78/58/1053587858.db2.gz NUEKKQPLFHBPTM-UHFFFAOYSA-N 0 0 325.412 4.169 20 10 EICDRN CC(C)(C)c1cnc(Sc2ncncc2Br)s1 ZINC000765527280 1053618070 /nfs/dbraw/zinc/61/80/70/1053618070.db2.gz OGRQJPRZJNCAGU-UHFFFAOYSA-N 0 0 330.276 4.144 20 10 EICDRN COC(OC)[C@H](C)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001196370839 1053651216 /nfs/dbraw/zinc/65/12/16/1053651216.db2.gz POVVJTOJCXAHAX-ZDUSSCGKSA-N 0 0 342.399 4.231 20 10 EICDRN O=c1[nH]ccc(Nc2ccc(NCC3CCCC3)cc2)c1[N+](=O)[O-] ZINC000853251732 1053660065 /nfs/dbraw/zinc/66/00/65/1053660065.db2.gz CTKPXQRPGOSGLG-UHFFFAOYSA-N 0 0 328.372 4.041 20 10 EICDRN O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775713699 1053664117 /nfs/dbraw/zinc/66/41/17/1053664117.db2.gz LWDBNUNASHJHHW-AWEZNQCLSA-N 0 0 347.817 4.280 20 10 EICDRN O=C(c1cccc(O)c1O)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000776668550 1053674601 /nfs/dbraw/zinc/67/46/01/1053674601.db2.gz JUPWREJPQCNSTE-NJWFCXLTSA-N 0 0 337.419 4.196 20 10 EICDRN Cc1cc(C)c(CNC(=O)c2cnccc2-c2ccccc2)c(O)c1 ZINC001196486688 1053679515 /nfs/dbraw/zinc/67/95/15/1053679515.db2.gz FDSROCUOGAXOBD-UHFFFAOYSA-N 0 0 332.403 4.001 20 10 EICDRN COc1ccc(O)c([C@@H](C)Nc2ccc([C@H](O)C(F)(F)F)cc2)c1 ZINC000866416774 1053720298 /nfs/dbraw/zinc/72/02/98/1053720298.db2.gz CYLIYKBEAXSIAU-HWPZZCPQSA-N 0 0 341.329 4.170 20 10 EICDRN Cc1cc2ccccc2nc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853956782 1053728678 /nfs/dbraw/zinc/72/86/78/1053728678.db2.gz ZXVDUDFGLZDHHR-UHFFFAOYSA-N 0 0 347.462 4.116 20 10 EICDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)CC(C)C ZINC000765589418 1053762463 /nfs/dbraw/zinc/76/24/63/1053762463.db2.gz HPVOJSQVIGKSKK-GFCCVEGCSA-N 0 0 342.277 4.185 20 10 EICDRN COc1cc(O)c(CNc2ccc(COC(C)(C)C)cc2)cc1OC ZINC000775749049 1053802999 /nfs/dbraw/zinc/80/29/99/1053802999.db2.gz PREYSOANNWRZKI-UHFFFAOYSA-N 0 0 345.439 4.337 20 10 EICDRN CC[C@H]([NH2+][C@H](C)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000866613076 1053805595 /nfs/dbraw/zinc/80/55/95/1053805595.db2.gz FNSOFMKABBVEDD-RNCFNFMXSA-N 0 0 328.243 4.234 20 10 EICDRN C[C@H](Nc1ccc2c(c1)NC(=O)C(C)(C)CO2)c1ccc(F)cc1O ZINC000866624113 1053810079 /nfs/dbraw/zinc/81/00/79/1053810079.db2.gz ABRJYRAJSFCXSW-NSHDSACASA-N 0 0 344.386 4.062 20 10 EICDRN C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000866631842 1053811276 /nfs/dbraw/zinc/81/12/76/1053811276.db2.gz FPMGAENXLSRFBZ-CABZTGNLSA-N 0 0 326.227 4.081 20 10 EICDRN CCOc1ccc(O)c(CN2Cc3ccc(Br)cc3C2)c1 ZINC000765671552 1053837915 /nfs/dbraw/zinc/83/79/15/1053837915.db2.gz GEKLBRGGEKTGKJ-UHFFFAOYSA-N 0 0 348.240 4.069 20 10 EICDRN CCSCCNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197187189 1053845094 /nfs/dbraw/zinc/84/50/94/1053845094.db2.gz ZTQWVUVWVJHYKA-VHEBQXMUSA-N 0 0 349.481 4.133 20 10 EICDRN O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CCCC12CC2 ZINC001197154027 1053846809 /nfs/dbraw/zinc/84/68/09/1053846809.db2.gz HGJDJHSFHHFXDF-FMQUCBEESA-N 0 0 341.436 4.419 20 10 EICDRN 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COc1ccc(O)c([C@H](C)Nc2cnn(-c3ccc(C)cc3C)c2)c1 ZINC000786576861 1046852479 /nfs/dbraw/zinc/85/24/79/1046852479.db2.gz YOUNYNNIOGBLBM-HNNXBMFYSA-N 0 0 337.423 4.376 20 10 EICDRN Cc1ccc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1C ZINC000917361368 1046860424 /nfs/dbraw/zinc/86/04/24/1046860424.db2.gz GDSVMXLNXSCLIY-UHFFFAOYSA-N 0 0 349.430 4.374 20 10 EICDRN Cc1ccc(CCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)o1 ZINC000746602111 1046865626 /nfs/dbraw/zinc/86/56/26/1046865626.db2.gz WZJLJPDSNFVNHL-UHFFFAOYSA-N 0 0 340.467 4.073 20 10 EICDRN COc1ccccc1/C=C1/SC(=S)N(c2ccccc2C)C1=O ZINC000033315548 1046869492 /nfs/dbraw/zinc/86/94/92/1046869492.db2.gz OAGACENWTYHLCH-LFIBNONCSA-N 0 0 341.457 4.409 20 10 EICDRN COC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC000786955812 1046883644 /nfs/dbraw/zinc/88/36/44/1046883644.db2.gz DPVRXYZYRPGWJZ-QLJPJBMISA-N 0 0 341.785 4.362 20 10 EICDRN C[C@@H](NC(=O)N1Cc2cccc(Cl)c2C1)c1ccc(N(C)C)cc1 ZINC000805309535 1046884024 /nfs/dbraw/zinc/88/40/24/1046884024.db2.gz NXJJJOOOBUDAGQ-CYBMUJFWSA-N 0 0 343.858 4.192 20 10 EICDRN Cc1cc(C(=O)N[C@H]2C[C@@H]2C(F)F)c(C)n1-c1cc(C)cc(C)c1 ZINC000805311161 1046884697 /nfs/dbraw/zinc/88/46/97/1046884697.db2.gz YMSAHPIYYHXEBL-IRXDYDNUSA-N 0 0 332.394 4.094 20 10 EICDRN Oc1ccc2ccncc2c1CN1CCCc2cc(F)cc(F)c21 ZINC000917442005 1046891299 /nfs/dbraw/zinc/89/12/99/1046891299.db2.gz NCWYDZXZIXIQDV-UHFFFAOYSA-N 0 0 326.346 4.171 20 10 EICDRN Oc1ccc2ccncc2c1CN1CCCc2c(F)cc(F)cc21 ZINC000917472069 1046912837 /nfs/dbraw/zinc/91/28/37/1046912837.db2.gz NSFZPZLZNQQEDJ-UHFFFAOYSA-N 0 0 326.346 4.171 20 10 EICDRN CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(OC)ccc1O ZINC000917500112 1046912934 /nfs/dbraw/zinc/91/29/34/1046912934.db2.gz VTEBIAAWTNKROL-KRWDZBQOSA-N 0 0 346.814 4.031 20 10 EICDRN COc1ccc(N(CCOCC(F)F)Cc2cccs2)cc1 ZINC000787261390 1046964788 /nfs/dbraw/zinc/96/47/88/1046964788.db2.gz UXVRYPIJGXZBDS-UHFFFAOYSA-N 0 0 327.396 4.045 20 10 EICDRN COc1ccc(N(Cc2ccccc2)C[C@H](O)CC(F)(F)F)cc1 ZINC000787262384 1046973268 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CCO[C@H]1C[C@@H](NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 ZINC001626111746 1047018622 /nfs/dbraw/zinc/01/86/22/1047018622.db2.gz RFCDCAQXIZCUJH-IZAXUBKRSA-N 0 0 340.467 4.008 20 10 EICDRN Cc1ccc(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)o1 ZINC000746689322 1047024280 /nfs/dbraw/zinc/02/42/80/1047024280.db2.gz JTRVMBYUDKHOGP-UHFFFAOYSA-N 0 0 339.391 4.048 20 10 EICDRN Cc1ncccc1/C=C\C(=O)N1CCCc2ccc(F)c(Cl)c21 ZINC001130410658 1047041665 /nfs/dbraw/zinc/04/16/65/1047041665.db2.gz XXKHFOHBXLMIDE-CLFYSBASSA-N 0 0 330.790 4.175 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)Cc1ccnc(Cl)c1Cl ZINC000787771024 1047052832 /nfs/dbraw/zinc/05/28/32/1047052832.db2.gz ZXPMHBJMIXLAMI-UHFFFAOYSA-N 0 0 338.282 4.477 20 10 EICDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc(-n2cccc2)c1 ZINC000917697856 1047067944 /nfs/dbraw/zinc/06/79/44/1047067944.db2.gz BWNRFKJHIGXZLS-UHFFFAOYSA-N 0 0 331.419 4.330 20 10 EICDRN COc1ccc2nc(NCc3ccc(N(C)C)c(F)c3)ccc2c1 ZINC000746722035 1047072779 /nfs/dbraw/zinc/07/27/79/1047072779.db2.gz VVCZTXGRGNASAM-UHFFFAOYSA-N 0 0 325.387 4.061 20 10 EICDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1cc(F)ccc1F ZINC000806105047 1047119675 /nfs/dbraw/zinc/11/96/75/1047119675.db2.gz JXPSUNKVVZTRBS-UHFFFAOYSA-N 0 0 347.148 4.299 20 10 EICDRN CC[C@H]([NH2+]CCc1cc(OC)ccc1OC)c1cccc(Cl)c1[O-] ZINC000806133916 1047127520 /nfs/dbraw/zinc/12/75/20/1047127520.db2.gz FNCBBILSHQABES-KRWDZBQOSA-N 0 0 349.858 4.346 20 10 EICDRN CC[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138655 1047134826 /nfs/dbraw/zinc/13/48/26/1047134826.db2.gz YUEYBXQBGRTQAK-ZUZCIYMTSA-N 0 0 331.287 4.222 20 10 EICDRN CC[C@@H]([NH2+]CCn1c(C)nc2ccccc21)c1cccc(Cl)c1[O-] ZINC000806127679 1047148849 /nfs/dbraw/zinc/14/88/49/1047148849.db2.gz IUGJBBGZLCKYQK-MRXNPFEDSA-N 0 0 343.858 4.445 20 10 EICDRN CC[C@H]([NH2+]CCCc1c[nH]nc1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129649 1047150783 /nfs/dbraw/zinc/15/07/83/1047150783.db2.gz HMMVEJAJMXBCRY-HNNXBMFYSA-N 0 0 342.270 4.404 20 10 EICDRN CC[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806130366 1047155522 /nfs/dbraw/zinc/15/55/22/1047155522.db2.gz WVDDNJQBSQNTCA-OLZOCXBDSA-N 0 0 330.211 4.066 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139326 1047162186 /nfs/dbraw/zinc/16/21/86/1047162186.db2.gz NXZYYFMCPYARTA-CJNGLKHVSA-N 0 0 343.298 4.224 20 10 EICDRN CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806140151 1047164758 /nfs/dbraw/zinc/16/47/58/1047164758.db2.gz UXXPODYETLNNAU-MRXNPFEDSA-N 0 0 332.831 4.115 20 10 EICDRN CC[C@H]([NH2+]CCc1cscn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144858 1047169991 /nfs/dbraw/zinc/16/99/91/1047169991.db2.gz WFZAXAZBTWJWCF-ZDUSSCGKSA-N 0 0 331.268 4.439 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144773 1047171532 /nfs/dbraw/zinc/17/15/32/1047171532.db2.gz VKNKBYYUVKFOBT-CIISACIHSA-N 0 0 343.298 4.222 20 10 EICDRN CC[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806148669 1047173142 /nfs/dbraw/zinc/17/31/42/1047173142.db2.gz JQUOMIKQSLFDMB-GFCCVEGCSA-N 0 0 347.768 4.039 20 10 EICDRN CC[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806148814 1047173283 /nfs/dbraw/zinc/17/32/83/1047173283.db2.gz KUBDKPYPYLCPQD-JEBQAFNWSA-N 0 0 333.859 4.078 20 10 EICDRN CC[C@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806152803 1047177811 /nfs/dbraw/zinc/17/78/11/1047177811.db2.gz FPMNBYYOLFNSGQ-WDEREUQCSA-N 0 0 346.176 4.317 20 10 EICDRN Oc1c(CNc2cccc3c2CCN3)cc(Cl)c2cccnc12 ZINC001168523384 1047185096 /nfs/dbraw/zinc/18/50/96/1047185096.db2.gz NXBIJTUQKFYAKD-UHFFFAOYSA-N 0 0 325.799 4.174 20 10 EICDRN CCc1ccc([C@@H](O)C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])cc1 ZINC000806165156 1047188182 /nfs/dbraw/zinc/18/81/82/1047188182.db2.gz DESFZBOSFZSSLA-ROUUACIJSA-N 0 0 333.859 4.382 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](O)c1cc(C)cc(C)c1)c1cccc(Cl)c1[O-] ZINC000806164674 1047189092 /nfs/dbraw/zinc/18/90/92/1047189092.db2.gz ANNWSHRXPYSAHP-QZTJIDSGSA-N 0 0 333.859 4.437 20 10 EICDRN CCc1ccc([C@@H](O)C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])cc1 ZINC000806165153 1047189224 /nfs/dbraw/zinc/18/92/24/1047189224.db2.gz DESFZBOSFZSSLA-MSOLQXFVSA-N 0 0 333.859 4.382 20 10 EICDRN CC[C@@H]1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H](CC)CO1 ZINC001130608634 1047243922 /nfs/dbraw/zinc/24/39/22/1047243922.db2.gz IHFNRFYBZJKYRC-UYAOXDASSA-N 0 0 340.467 4.124 20 10 EICDRN CC(C)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000788622328 1047251572 /nfs/dbraw/zinc/25/15/72/1047251572.db2.gz QXBKXBJQMAZWIX-RZAIGCCYSA-N 0 0 335.394 4.079 20 10 EICDRN C[C@H]([NH2+]CC1(CCO)CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788629545 1047254886 /nfs/dbraw/zinc/25/48/86/1047254886.db2.gz WDNHIEZVWBQIHH-ZDUSSCGKSA-N 0 0 345.405 4.395 20 10 EICDRN C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(C(F)(F)F)c1[O-] ZINC000788687058 1047261587 /nfs/dbraw/zinc/26/15/87/1047261587.db2.gz ARJFASSSGWZNSN-VIFPVBQESA-N 0 0 330.737 4.310 20 10 EICDRN C[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788693378 1047266337 /nfs/dbraw/zinc/26/63/37/1047266337.db2.gz SQWNKNICBLUZOF-STQMWFEESA-N 0 0 345.405 4.250 20 10 EICDRN C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788669960 1047268354 /nfs/dbraw/zinc/26/83/54/1047268354.db2.gz HASSWCSACWGQGN-NEPJUHHUSA-N 0 0 329.362 4.163 20 10 EICDRN Cc1c2ccc(F)cc2sc1C(=O)N(C)Cc1ccccc1O ZINC000806499608 1047270874 /nfs/dbraw/zinc/27/08/74/1047270874.db2.gz IMWJSUGPIGRCNE-UHFFFAOYSA-N 0 0 329.396 4.327 20 10 EICDRN C[C@@H](Nc1cnn(CC2CC2)c1)c1cccc(C(F)(F)F)c1O ZINC000788708743 1047275199 /nfs/dbraw/zinc/27/51/99/1047275199.db2.gz AFKAZPQGIRJVBX-SNVBAGLBSA-N 0 0 325.334 4.191 20 10 EICDRN C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000788752906 1047289419 /nfs/dbraw/zinc/28/94/19/1047289419.db2.gz XPWHPVXDQBTUHZ-CHWSQXEVSA-N 0 0 331.378 4.411 20 10 EICDRN COc1ccc(F)cc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788762533 1047291873 /nfs/dbraw/zinc/29/18/73/1047291873.db2.gz HJOUBLFYXPATQB-SNVBAGLBSA-N 0 0 343.320 4.410 20 10 EICDRN CC1(C)CCCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000788744573 1047301208 /nfs/dbraw/zinc/30/12/08/1047301208.db2.gz URVXKASPDBSCDQ-SFHVURJKSA-N 0 0 346.540 4.072 20 10 EICDRN C[C@@H]1CCCC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918055516 1047306665 /nfs/dbraw/zinc/30/66/65/1047306665.db2.gz CERGKUSQZLLEQB-DNVCBOLYSA-N 0 0 329.488 4.005 20 10 EICDRN CN(C)c1ccc(CN(C(=O)NCC2CCCCC2)C2CC2)cc1 ZINC000918054884 1047306722 /nfs/dbraw/zinc/30/67/22/1047306722.db2.gz YSXUYLDQNQJWJC-UHFFFAOYSA-N 0 0 329.488 4.007 20 10 EICDRN C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000788824805 1047320163 /nfs/dbraw/zinc/32/01/63/1047320163.db2.gz WJLURZGMUHUUEW-IUODEOHRSA-N 0 0 343.389 4.411 20 10 EICDRN CN(Cc1ccccc1O)C(=O)Nc1csc(-c2ccccc2)n1 ZINC000806732718 1047354268 /nfs/dbraw/zinc/35/42/68/1047354268.db2.gz WUKPWMWSMZFCKY-UHFFFAOYSA-N 0 0 339.420 4.180 20 10 EICDRN Cc1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1F ZINC000760461651 1047380467 /nfs/dbraw/zinc/38/04/67/1047380467.db2.gz BSMDXHNMVHFXAQ-UHFFFAOYSA-N 0 0 326.415 4.054 20 10 EICDRN Cc1cc(CC(=O)OCC(F)(F)F)c(C)n1-c1ccc(Cl)cc1 ZINC000747378843 1047433696 /nfs/dbraw/zinc/43/36/96/1047433696.db2.gz AYQUQARVRZULJE-UHFFFAOYSA-N 0 0 345.748 4.396 20 10 EICDRN Nc1ccc(CCNC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000841956466 1047439327 /nfs/dbraw/zinc/43/93/27/1047439327.db2.gz FIZUYDNWTJHEDQ-GOSISDBHSA-N 0 0 343.858 4.011 20 10 EICDRN Oc1c(CNc2cccc3c2OCC3)cc(Cl)c2cccnc12 ZINC001168523801 1047454072 /nfs/dbraw/zinc/45/40/72/1047454072.db2.gz SNBHJGFADOAWKF-UHFFFAOYSA-N 0 0 326.783 4.141 20 10 EICDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000789767947 1047469969 /nfs/dbraw/zinc/46/99/69/1047469969.db2.gz FSYCAZGEFJHJSI-OAHLLOKOSA-N 0 0 330.859 4.052 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)NCC2CCCCC2)cc1 ZINC000789813942 1047478350 /nfs/dbraw/zinc/47/83/50/1047478350.db2.gz KLHHNJKKEJBBHO-UHFFFAOYSA-N 0 0 331.504 4.255 20 10 EICDRN O=C(C1=CC(=O)CS1)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000807665281 1047480467 /nfs/dbraw/zinc/48/04/67/1047480467.db2.gz JUGUYQJCMFRNQV-UHFFFAOYSA-N 0 0 339.819 4.299 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000789918170 1047483689 /nfs/dbraw/zinc/48/36/89/1047483689.db2.gz FKAIXGGLXCFNTC-GBESFXJTSA-N 0 0 343.515 4.253 20 10 EICDRN Cc1cc(C(=O)NCCC[C@H](C)O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000790085088 1047516627 /nfs/dbraw/zinc/51/66/27/1047516627.db2.gz YEHCTOYFWAYFDE-INIZCTEOSA-N 0 0 342.483 4.108 20 10 EICDRN COc1cc(C(F)(F)F)ncc1NCc1c(O)cccc1Cl ZINC000790247668 1047541845 /nfs/dbraw/zinc/54/18/45/1047541845.db2.gz QYNYCQHSWOTAQJ-UHFFFAOYSA-N 0 0 332.709 4.080 20 10 EICDRN CC(C)n1ncc2cc(NCc3c(O)ccc(Cl)c3F)cnc21 ZINC000790246240 1047542787 /nfs/dbraw/zinc/54/27/87/1047542787.db2.gz UMRBQKFGRKIWOO-UHFFFAOYSA-N 0 0 334.782 4.122 20 10 EICDRN CC[C@@H](C)CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000790273407 1047552329 /nfs/dbraw/zinc/55/23/29/1047552329.db2.gz UPYGRGGYFVIQOU-MRXNPFEDSA-N 0 0 328.456 4.311 20 10 EICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000898219761 1047570196 /nfs/dbraw/zinc/57/01/96/1047570196.db2.gz LERYYOMEPBMNNZ-UHFFFAOYSA-N 0 0 333.787 4.384 20 10 EICDRN CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219520 1047570291 /nfs/dbraw/zinc/57/02/91/1047570291.db2.gz YQQVGNNTDOYMAT-CYBMUJFWSA-N 0 0 346.858 4.115 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccsc2[nH]1 ZINC000918657774 1047572317 /nfs/dbraw/zinc/57/23/17/1047572317.db2.gz HPMNJYWYZNHOHI-UHFFFAOYSA-N 0 0 341.480 4.346 20 10 EICDRN Cc1cc(C(=O)N(C)C[C@@H]2CCCCO2)c(C)n1-c1ccccc1C ZINC000918685602 1047585491 /nfs/dbraw/zinc/58/54/91/1047585491.db2.gz YRGIBNDIHKWFHS-SFHVURJKSA-N 0 0 340.467 4.044 20 10 EICDRN COc1cc(C)cc(CN(CCC(F)(F)F)CC(F)(F)F)c1O ZINC000790401702 1047587887 /nfs/dbraw/zinc/58/78/87/1047587887.db2.gz AMWRADVVKZTCTD-UHFFFAOYSA-N 0 0 345.283 4.026 20 10 EICDRN CN(C)c1ccc(CNCc2c(F)cccc2OC(F)(F)F)cc1 ZINC000790493064 1047597616 /nfs/dbraw/zinc/59/76/16/1047597616.db2.gz LXLLKABWPQRGAK-UHFFFAOYSA-N 0 0 342.336 4.080 20 10 EICDRN COc1ccc(O)c([C@H](C)Nc2cccc3c2OCC[C@@H]3OC)c1 ZINC000790500218 1047601222 /nfs/dbraw/zinc/60/12/22/1047601222.db2.gz OCPJBSCKTMTGAD-SGTLLEGYSA-N 0 0 329.396 4.044 20 10 EICDRN CCCN(C(=O)C1=CC(=O)CS1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001136844114 1047847052 /nfs/dbraw/zinc/84/70/52/1047847052.db2.gz IIPBNCNXWFNYSO-CVEARBPZSA-N 0 0 337.485 4.044 20 10 EICDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccsc1Cl ZINC000824262224 1047850311 /nfs/dbraw/zinc/85/03/11/1047850311.db2.gz UJOQLVWSKSIQHF-UHFFFAOYSA-N 0 0 334.872 4.322 20 10 EICDRN CN1CCCc2cc(CNC(=O)Nc3ccccc3C(F)F)ccc21 ZINC000824427915 1047868002 /nfs/dbraw/zinc/86/80/02/1047868002.db2.gz ONMPSLYFGIWSDF-UHFFFAOYSA-N 0 0 345.393 4.328 20 10 EICDRN O=C1/C(=C/c2cnc(C3CCC3)s2)SC(=S)N1C1CCC1 ZINC000814185383 1047881655 /nfs/dbraw/zinc/88/16/55/1047881655.db2.gz FVTTXECZSPLMNB-GHXNOFRVSA-N 0 0 336.507 4.164 20 10 EICDRN Cc1nc2ccc(/C=C3\SC(=S)N(C4CCC4)C3=O)cc2s1 ZINC000814185314 1047881772 /nfs/dbraw/zinc/88/17/72/1047881772.db2.gz CVUCTJQBDMOQAI-ZSOIEALJSA-N 0 0 346.502 4.358 20 10 EICDRN COc1c(C)cc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1C ZINC000814185396 1047882178 /nfs/dbraw/zinc/88/21/78/1047882178.db2.gz GBXPNFVYVWRTCB-NTEUORMPSA-N 0 0 333.478 4.066 20 10 EICDRN COc1cc(CN2CCCC[C@@H]2c2ncc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000824650499 1047894048 /nfs/dbraw/zinc/89/40/48/1047894048.db2.gz RFLKLTFGZNSRGU-QGZVFWFLSA-N 0 0 343.471 4.149 20 10 EICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000808429288 1047895469 /nfs/dbraw/zinc/89/54/69/1047895469.db2.gz IBPPDQZSDMWGKF-AWEZNQCLSA-N 0 0 344.213 4.051 20 10 EICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000808429289 1047896776 /nfs/dbraw/zinc/89/67/76/1047896776.db2.gz IBPPDQZSDMWGKF-CQSZACIVSA-N 0 0 344.213 4.051 20 10 EICDRN COC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cccc(Cl)c1 ZINC000808453954 1047920361 /nfs/dbraw/zinc/92/03/61/1047920361.db2.gz BPORPVBVKJFYCU-CQSZACIVSA-N 0 0 344.213 4.315 20 10 EICDRN O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccc(F)cc1F ZINC000814277724 1047932828 /nfs/dbraw/zinc/93/28/28/1047932828.db2.gz SBFWDIWSESPSRW-ZSOIEALJSA-N 0 0 333.384 4.371 20 10 EICDRN O=C1/C(=C\c2ccc(-c3ccccc3F)o2)SC(=S)N1C1CC1 ZINC000814285044 1047935773 /nfs/dbraw/zinc/93/57/73/1047935773.db2.gz NDZWAEXPVNXXRT-OQLLNIDSSA-N 0 0 345.420 4.449 20 10 EICDRN CC[C@@H](NCc1nn(C)cc1Cl)c1ccc(C(F)(F)F)cc1O ZINC000824758169 1047943028 /nfs/dbraw/zinc/94/30/28/1047943028.db2.gz MHISAKRJLFJVDH-GFCCVEGCSA-N 0 0 347.768 4.039 20 10 EICDRN CCOc1cccc(CNc2cnn(CC(C)C)c2C2CC2)c1O ZINC000808431052 1047944413 /nfs/dbraw/zinc/94/44/13/1047944413.db2.gz CCYWVSDCUKQARX-UHFFFAOYSA-N 0 0 329.444 4.133 20 10 EICDRN CCOc1ccc(O)c(CNc2cnn(CC(C)C)c2C2CC2)c1 ZINC000808432114 1047945216 /nfs/dbraw/zinc/94/52/16/1047945216.db2.gz VOEPXEGLPJLOEF-UHFFFAOYSA-N 0 0 329.444 4.133 20 10 EICDRN Cc1cc(C(=O)N2CCSC[C@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001136947032 1047955927 /nfs/dbraw/zinc/95/59/27/1047955927.db2.gz VETIWZURIAEAKY-CYBMUJFWSA-N 0 0 348.899 4.325 20 10 EICDRN Cc1cccnc1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000824783271 1047963778 /nfs/dbraw/zinc/96/37/78/1047963778.db2.gz IJGXHHVABVHRQC-UHFFFAOYSA-N 0 0 325.239 4.125 20 10 EICDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](C)c1ccccc1 ZINC000747503896 1047980622 /nfs/dbraw/zinc/98/06/22/1047980622.db2.gz HRVDKVPZWBMDKT-QZTJIDSGSA-N 0 0 349.478 4.054 20 10 EICDRN CCN(C[C@@H]1CCCO1)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000919710491 1048006339 /nfs/dbraw/zinc/00/63/39/1048006339.db2.gz DCKGUHUTWMSCPA-IBGZPJMESA-N 0 0 340.467 4.044 20 10 EICDRN Cc1cc(O)c(CNc2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000824962411 1048006846 /nfs/dbraw/zinc/00/68/46/1048006846.db2.gz AXIWPDAPWFVLDK-UHFFFAOYSA-N 0 0 330.815 4.093 20 10 EICDRN CCN(C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H](C)CO ZINC000814483075 1048035830 /nfs/dbraw/zinc/03/58/30/1048035830.db2.gz NTAZSZKYNHUKKZ-CQSZACIVSA-N 0 0 326.400 4.337 20 10 EICDRN Cc1cc(Cl)cc([C@@H](C)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1O ZINC000808710119 1048056403 /nfs/dbraw/zinc/05/64/03/1048056403.db2.gz XTVYARXYTPLDMM-GHMZBOCLSA-N 0 0 346.814 4.247 20 10 EICDRN CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2cc(Cl)cc(C)c2O)[nH]1 ZINC000808716322 1048062970 /nfs/dbraw/zinc/06/29/70/1048062970.db2.gz MMWRWDIHUPMYKO-MVWJERBFSA-N 0 0 336.867 4.397 20 10 EICDRN Cc1cc(Cl)cc([C@@H](C)Nc2ccc(OC3COC3)cc2)c1O ZINC000808716372 1048064444 /nfs/dbraw/zinc/06/44/44/1048064444.db2.gz WIMFDHNDTRZWPI-GFCCVEGCSA-N 0 0 333.815 4.305 20 10 EICDRN CCOCC(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000808724167 1048073287 /nfs/dbraw/zinc/07/32/87/1048073287.db2.gz CHBQLUKXSGDYAZ-JTQLQIEISA-N 0 0 348.256 4.007 20 10 EICDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000808897862 1048156306 /nfs/dbraw/zinc/15/63/06/1048156306.db2.gz WWARJXRUBVVPOP-UHFFFAOYSA-N 0 0 349.390 4.243 20 10 EICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000814826075 1048187879 /nfs/dbraw/zinc/18/78/79/1048187879.db2.gz PYEJGUVOMQASBO-RMFSNUHRSA-N 0 0 326.484 4.072 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nc(C2CC2)c[nH]1 ZINC001143881802 1048279960 /nfs/dbraw/zinc/27/99/60/1048279960.db2.gz CNSFJGUWEUGXBS-UHFFFAOYSA-N 0 0 326.425 4.008 20 10 EICDRN Cc1nnsc1CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000844315446 1048292264 /nfs/dbraw/zinc/29/22/64/1048292264.db2.gz ZQEYIMLFENEPMN-HNNXBMFYSA-N 0 0 339.464 4.316 20 10 EICDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000809698581 1048459048 /nfs/dbraw/zinc/45/90/48/1048459048.db2.gz CSYZDCGSKXZIFJ-ZIFCJYIRSA-N 0 0 343.854 4.050 20 10 EICDRN CC1(CC(=O)N(Cc2ccco2)Cc2ccccc2O)CCCC1 ZINC000809684346 1048473860 /nfs/dbraw/zinc/47/38/60/1048473860.db2.gz ZFERVKBVSFYLLC-UHFFFAOYSA-N 0 0 327.424 4.484 20 10 EICDRN Cc1cc(CC(=O)N2CC(F)(F)CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001135070704 1048490348 /nfs/dbraw/zinc/49/03/48/1048490348.db2.gz VKYLBEIBUXSESW-CQSZACIVSA-N 0 0 346.421 4.283 20 10 EICDRN CCCN(CCC)c1ccc(CN2CCC[C@H]2c2nc(C)no2)cc1 ZINC000809721706 1048496408 /nfs/dbraw/zinc/49/64/08/1048496408.db2.gz YDPHNHGIDFKYHX-IBGZPJMESA-N 0 0 342.487 4.342 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000809775648 1048505866 /nfs/dbraw/zinc/50/58/66/1048505866.db2.gz HBSLBIPKQSFOEI-UHFFFAOYSA-N 0 0 336.140 4.406 20 10 EICDRN Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809776108 1048506458 /nfs/dbraw/zinc/50/64/58/1048506458.db2.gz VCDLGTXUZPCUPY-UHFFFAOYSA-N 0 0 341.194 4.205 20 10 EICDRN Cc1ccncc1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809775817 1048507108 /nfs/dbraw/zinc/50/71/08/1048507108.db2.gz JZYVKARSRBGMMX-UHFFFAOYSA-N 0 0 325.239 4.125 20 10 EICDRN CC(C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000809776047 1048508718 /nfs/dbraw/zinc/50/87/18/1048508718.db2.gz RCXAYFYPBJWDKF-XHDPSFHLSA-N 0 0 332.271 4.240 20 10 EICDRN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cccc(C(F)(F)F)c1[O-] ZINC000815576285 1048515881 /nfs/dbraw/zinc/51/58/81/1048515881.db2.gz NNSQXEHOCZWWJY-MEBBXXQBSA-N 0 0 337.341 4.455 20 10 EICDRN CC[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C1CCOCC1 ZINC000815585847 1048523452 /nfs/dbraw/zinc/52/34/52/1048523452.db2.gz UKFIWHQWTBLXOG-XHDPSFHLSA-N 0 0 331.378 4.267 20 10 EICDRN CCc1nc(C(C)C)ccc1C(=O)NCCCSc1nccs1 ZINC000815591099 1048527302 /nfs/dbraw/zinc/52/73/02/1048527302.db2.gz WNWYCAQMJNIRNM-UHFFFAOYSA-N 0 0 349.525 4.136 20 10 EICDRN CCOc1ccc(O)c(CN2CCCn3c(cc4ccccc43)C2)c1 ZINC000809782712 1048529729 /nfs/dbraw/zinc/52/97/29/1048529729.db2.gz FIOOJILKLNRUDZ-UHFFFAOYSA-N 0 0 336.435 4.152 20 10 EICDRN CC[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccc(OC)cc1 ZINC000844862572 1048531033 /nfs/dbraw/zinc/53/10/33/1048531033.db2.gz MBBWGTFPTISQJO-INIZCTEOSA-N 0 0 348.830 4.005 20 10 EICDRN CCc1nc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cs1 ZINC000815573473 1048536935 /nfs/dbraw/zinc/53/69/35/1048536935.db2.gz LKJWKOZUFUAEGU-JTQLQIEISA-N 0 0 344.402 4.323 20 10 EICDRN C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815574724 1048537898 /nfs/dbraw/zinc/53/78/98/1048537898.db2.gz ARLVHBQTBVZEJL-ABAIWWIYSA-N 0 0 331.378 4.003 20 10 EICDRN CO[C@H](CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C(F)(F)F ZINC000815619143 1048545446 /nfs/dbraw/zinc/54/54/46/1048545446.db2.gz DQEFZLCWIJPNPO-LDYMZIIASA-N 0 0 345.283 4.029 20 10 EICDRN CC[C@H]([NH2+]Cc1cnccc1OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000815629693 1048553259 /nfs/dbraw/zinc/55/32/59/1048553259.db2.gz KBLUEBFAYGVZDG-ZDUSSCGKSA-N 0 0 341.238 4.344 20 10 EICDRN C[C@H](NC(=O)NCc1ccccc1O)c1ccc(-c2cccnc2)cc1 ZINC000747583238 1048575791 /nfs/dbraw/zinc/57/57/91/1048575791.db2.gz ACFWJUDUZCJXDB-HNNXBMFYSA-N 0 0 347.418 4.015 20 10 EICDRN Cc1cccc2oc(C(=O)NCCCSc3nccs3)cc21 ZINC001144322346 1048589643 /nfs/dbraw/zinc/58/96/43/1048589643.db2.gz ORPQISIHDSIBRN-UHFFFAOYSA-N 0 0 332.450 4.110 20 10 EICDRN O=C(Cc1ccc(C2CCC2)cc1)NCCCSc1nccs1 ZINC001144322512 1048590257 /nfs/dbraw/zinc/59/02/57/1048590257.db2.gz UKDYLZGNSCBIME-UHFFFAOYSA-N 0 0 346.521 4.252 20 10 EICDRN Fc1cc(-c2nc(CCC3CCOCC3)no2)ccc1-n1cccc1 ZINC000815721352 1048593330 /nfs/dbraw/zinc/59/33/30/1048593330.db2.gz IFDYYQOZKUXMHX-UHFFFAOYSA-N 0 0 341.386 4.026 20 10 EICDRN CN(C)c1ccc(OCc2ccc(Cl)nc2C(F)(F)F)cc1 ZINC000810000879 1048600559 /nfs/dbraw/zinc/60/05/59/1048600559.db2.gz PVPVYCYDVYJSSA-UHFFFAOYSA-N 0 0 330.737 4.399 20 10 EICDRN Cc1ccc2ncc(NCc3cc(Br)ccc3O)nc2c1 ZINC001171166364 1048601132 /nfs/dbraw/zinc/60/11/32/1048601132.db2.gz CCYJODNKUHEGQH-UHFFFAOYSA-N 0 0 344.212 4.018 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000920243209 1048613453 /nfs/dbraw/zinc/61/34/53/1048613453.db2.gz RRIFCWQALFHQSF-AEFFLSMTSA-N 0 0 331.504 4.110 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2cnc(C)s2)cc1 ZINC001132027460 1048613841 /nfs/dbraw/zinc/61/38/41/1048613841.db2.gz YXGNMDGWVQTADB-AWEZNQCLSA-N 0 0 339.464 4.350 20 10 EICDRN Cc1cc(CNC(=O)CCCOC(C)(C)C)c(C)n1-c1ccccc1 ZINC001132048026 1048624410 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C[C@H]1CCCC[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000920444865 1048674715 /nfs/dbraw/zinc/67/47/15/1048674715.db2.gz NPVUAMLQRRGVFJ-WMZOPIPTSA-N 0 0 328.500 4.460 20 10 EICDRN Cc1cc(C(=O)N[C@H](C)[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1 ZINC000920460093 1048676827 /nfs/dbraw/zinc/67/68/27/1048676827.db2.gz YRPOUIHECQCUPY-FZKQIMNGSA-N 0 0 346.858 4.045 20 10 EICDRN Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1 ZINC000920460096 1048677121 /nfs/dbraw/zinc/67/71/21/1048677121.db2.gz YRPOUIHECQCUPY-UGSOOPFHSA-N 0 0 346.858 4.045 20 10 EICDRN Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000920459082 1048677155 /nfs/dbraw/zinc/67/71/55/1048677155.db2.gz PODQBUFGQIMFLY-ACJLOTCBSA-N 0 0 346.858 4.045 20 10 EICDRN CC[C@@H](Nc1cnn(CC(F)F)c1)c1ccc(C(F)(F)F)cc1O ZINC000810232184 1048699022 /nfs/dbraw/zinc/69/90/22/1048699022.db2.gz BDQGSIASCBMXCY-GFCCVEGCSA-N 0 0 349.303 4.436 20 10 EICDRN CCc1nn(C)cc1N[C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810234179 1048699375 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CCN(CC)c1ccc(CN[C@@H](c2ccccc2F)[C@@H](C)O)cc1F ZINC000846016925 1048784982 /nfs/dbraw/zinc/78/49/82/1048784982.db2.gz KMVMZJUJQBUYDP-JLTOFOAXSA-N 0 0 348.437 4.023 20 10 EICDRN COCC[N@H+](Cc1cccs1)Cc1ccc2ccccc2c1O ZINC000816482585 1048813282 /nfs/dbraw/zinc/81/32/82/1048813282.db2.gz LLYMATQAKHFASC-UHFFFAOYSA-N 0 0 327.449 4.256 20 10 EICDRN COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816536297 1048825214 /nfs/dbraw/zinc/82/52/14/1048825214.db2.gz QXLWSANGVROYKV-SECBINFHSA-N 0 0 327.758 4.183 20 10 EICDRN COc1cccc([C@H](C)Nc2cc3c(cc2SC)OCCO3)c1O ZINC000846162335 1048826556 /nfs/dbraw/zinc/82/65/56/1048826556.db2.gz KYKNZBHFAIERCD-NSHDSACASA-N 0 0 347.436 4.067 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000816538610 1048826523 /nfs/dbraw/zinc/82/65/23/1048826523.db2.gz YFAFLXIFMXWASU-AWEZNQCLSA-N 0 0 342.197 4.452 20 10 EICDRN CCOc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1F ZINC000816546466 1048828816 /nfs/dbraw/zinc/82/88/16/1048828816.db2.gz LCCLSRLYCZPXAK-UHFFFAOYSA-N 0 0 327.758 4.012 20 10 EICDRN CCOc1ccc(NCc2cc(Cl)c(F)cc2O)cc1OC ZINC000816524627 1048829956 /nfs/dbraw/zinc/82/99/56/1048829956.db2.gz MLAQTAQKVVBYAY-UHFFFAOYSA-N 0 0 325.767 4.204 20 10 EICDRN C[C@@H]1CN(c2ccc(NCc3ccc4ccccc4c3O)cc2)CCO1 ZINC000816527313 1048830493 /nfs/dbraw/zinc/83/04/93/1048830493.db2.gz DYWHUXWLLVJBPF-MRXNPFEDSA-N 0 0 348.446 4.383 20 10 EICDRN C[C@@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CC(C)(C)C ZINC000920971374 1048830587 /nfs/dbraw/zinc/83/05/87/1048830587.db2.gz XRVKLFUGDXNMMD-FUHWJXTLSA-N 0 0 347.499 4.362 20 10 EICDRN Cc1nnc(-c2cccc(NCc3ccc4ccccc4c3O)c2)n1C ZINC000816527486 1048830721 /nfs/dbraw/zinc/83/07/21/1048830721.db2.gz MJWUQZLKFRZHRG-UHFFFAOYSA-N 0 0 344.418 4.261 20 10 EICDRN CSCc1cc(F)ccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816528083 1048831317 /nfs/dbraw/zinc/83/13/17/1048831317.db2.gz LPCUHGYZKZHISY-UHFFFAOYSA-N 0 0 343.826 4.477 20 10 EICDRN CSCc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816586346 1048832276 /nfs/dbraw/zinc/83/22/76/1048832276.db2.gz GBWKMZZOULUUGC-UHFFFAOYSA-N 0 0 325.836 4.338 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000816556618 1048833704 /nfs/dbraw/zinc/83/37/04/1048833704.db2.gz OTWHENLZCBCKTC-ZDUSSCGKSA-N 0 0 328.170 4.061 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1COc2c1cccc2Cl ZINC000816557531 1048834099 /nfs/dbraw/zinc/83/40/99/1048834099.db2.gz ULESCZPCKGSQMB-CYBMUJFWSA-N 0 0 328.170 4.061 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000816560664 1048835512 /nfs/dbraw/zinc/83/55/12/1048835512.db2.gz WWTRRULYWAWHGS-ACJLOTCBSA-N 0 0 335.806 4.052 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000816593970 1048840402 /nfs/dbraw/zinc/84/04/02/1048840402.db2.gz LFEJOYJVAHHEDT-UHFFFAOYSA-N 0 0 337.675 4.031 20 10 EICDRN C[C@@]12CC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C[C@@H]1C2(Cl)Cl ZINC000816603705 1048842220 /nfs/dbraw/zinc/84/22/20/1048842220.db2.gz NXRGWZNSPNBPIB-QWHCGFSZSA-N 0 0 338.637 4.200 20 10 EICDRN COc1cc(NCc2cc(Cl)c(F)cc2O)cc(OC)c1C ZINC000816620236 1048845273 /nfs/dbraw/zinc/84/52/73/1048845273.db2.gz NEZHIULKJATQSU-UHFFFAOYSA-N 0 0 325.767 4.122 20 10 EICDRN CCN(Cc1cc(F)cc2cccnc21)c1ccc(OC)c(OC)c1 ZINC000921061765 1048845639 /nfs/dbraw/zinc/84/56/39/1048845639.db2.gz KSAJVDIJOZKWCR-UHFFFAOYSA-N 0 0 340.398 4.418 20 10 EICDRN CSc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)co1 ZINC001144774754 1048854843 /nfs/dbraw/zinc/85/48/43/1048854843.db2.gz WSKKLHASWURTAB-UHFFFAOYSA-N 0 0 344.480 4.168 20 10 EICDRN CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(F)c2)C1 ZINC001132430547 1048858045 /nfs/dbraw/zinc/85/80/45/1048858045.db2.gz AXPOPINVZKKZOS-JJEJIETFSA-N 0 0 338.426 4.486 20 10 EICDRN Cc1cccc(OCCCCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827978504 1048917486 /nfs/dbraw/zinc/91/74/86/1048917486.db2.gz VVCQOKLXHPWGPD-INIZCTEOSA-N 0 0 327.424 4.127 20 10 EICDRN C/C(=C(/F)C(=O)NCc1cc(C)n(-c2ccccc2)c1C)C1CC1 ZINC001170858175 1048929682 /nfs/dbraw/zinc/92/96/82/1048929682.db2.gz NVZGOYIKIIMVLO-RGEXLXHISA-N 0 0 326.415 4.364 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)c2ccc(F)c(C)c2)cc1F ZINC001144977593 1048953876 /nfs/dbraw/zinc/95/38/76/1048953876.db2.gz JAAVBXHWTZXAIV-UHFFFAOYSA-N 0 0 332.394 4.049 20 10 EICDRN Cc1noc(CCCOc2ccc(N3CCCCC3)c(Cl)c2)n1 ZINC000817382070 1048954132 /nfs/dbraw/zinc/95/41/32/1048954132.db2.gz PUHDOMYZQKCWIB-UHFFFAOYSA-N 0 0 335.835 4.033 20 10 EICDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@]2(CC=CCC2)C1 ZINC001146353900 1049019626 /nfs/dbraw/zinc/01/96/26/1049019626.db2.gz MVNJHKDAWKJGHT-IBGZPJMESA-N 0 0 343.448 4.275 20 10 EICDRN C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817958546 1049067009 /nfs/dbraw/zinc/06/70/09/1049067009.db2.gz XBRSQOUBKHPAND-SNVBAGLBSA-N 0 0 325.239 4.175 20 10 EICDRN C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817955293 1049067419 /nfs/dbraw/zinc/06/74/19/1049067419.db2.gz VFQUMOUXQVFUJW-MEBBXXQBSA-N 0 0 325.239 4.050 20 10 EICDRN Cc1cc(N)cc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])c1 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CCN(CC)c1ccc(CNc2nn(C)c3ccccc23)cc1F ZINC001179784747 1050777279 /nfs/dbraw/zinc/77/72/79/1050777279.db2.gz PHBMMCDERNZNFH-UHFFFAOYSA-N 0 0 326.419 4.171 20 10 EICDRN CNC(=O)c1cccc(Nc2ccc(CCc3ccc(N)cc3)cc2)c1 ZINC001174140459 1050781911 /nfs/dbraw/zinc/78/19/11/1050781911.db2.gz DSSOEMNCHMTLSO-UHFFFAOYSA-N 0 0 345.446 4.157 20 10 EICDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@H]1C[C@@H]1C1CCCC1 ZINC001179815990 1050786647 /nfs/dbraw/zinc/78/66/47/1050786647.db2.gz JNPSBEXKNXWMCT-BXUZGUMPSA-N 0 0 342.252 4.210 20 10 EICDRN Cc1ccc(O)c(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1 ZINC000775182068 1050808128 /nfs/dbraw/zinc/80/81/28/1050808128.db2.gz ZPSVXBKADHALSB-INIZCTEOSA-N 0 0 338.451 4.327 20 10 EICDRN COC(=O)[C@@H](Sc1nccs1)c1ccc(C(F)(F)F)cc1 ZINC001188660633 1050814924 /nfs/dbraw/zinc/81/49/24/1050814924.db2.gz PWOCQQZLYXHJQT-JTQLQIEISA-N 0 0 333.356 4.168 20 10 EICDRN O=C(C[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001179925146 1050820100 /nfs/dbraw/zinc/82/01/00/1050820100.db2.gz NKIWSXDCFJLLLL-INIZCTEOSA-N 0 0 349.352 4.047 20 10 EICDRN CN(C)c1ccc(/C=C/C(=O)Nc2cc(Cl)cc3ncoc32)cc1 ZINC001180128766 1050880856 /nfs/dbraw/zinc/88/08/56/1050880856.db2.gz SYPPHXTWMHBVQT-VMPITWQZSA-N 0 0 341.798 4.199 20 10 EICDRN Cc1ccc(NC(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC(F)F ZINC001180128719 1050882166 /nfs/dbraw/zinc/88/21/66/1050882166.db2.gz QPPAIOTVENSUFQ-YRNVUSSQSA-N 0 0 346.377 4.314 20 10 EICDRN COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001180189184 1050908539 /nfs/dbraw/zinc/90/85/39/1050908539.db2.gz OCXZNZZDMNBAPX-QGZVFWFLSA-N 0 0 333.378 4.406 20 10 EICDRN CC(=O)NCc1cccc(Nc2ccc(Cc3ccc(N)cc3)cc2)c1 ZINC001174368746 1050932207 /nfs/dbraw/zinc/93/22/07/1050932207.db2.gz DWPWQFTWTFSNCF-UHFFFAOYSA-N 0 0 345.446 4.239 20 10 EICDRN CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001180349504 1050964088 /nfs/dbraw/zinc/96/40/88/1050964088.db2.gz MMLDENMLXBWJLN-BTDLBPIBSA-N 0 0 341.785 4.190 20 10 EICDRN C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cc(F)cc(F)c1[O-] ZINC001180392711 1050977547 /nfs/dbraw/zinc/97/75/47/1050977547.db2.gz GOBATYHYCYNWTO-UHFFFAOYSA-N 0 0 347.283 4.201 20 10 EICDRN Cc1cc(NS(=O)(=O)c2ccc(F)c3ccccc32)c(C)cc1O ZINC001189388901 1050977365 /nfs/dbraw/zinc/97/73/65/1050977365.db2.gz JEWSTBJVVIRFGR-UHFFFAOYSA-N 0 0 345.395 4.102 20 10 EICDRN Cc1ccc(SCCC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001180399174 1050981038 /nfs/dbraw/zinc/98/10/38/1050981038.db2.gz AWZSPBTXHITVFY-UHFFFAOYSA-N 0 0 335.856 4.153 20 10 EICDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ccc2nccnc2c1 ZINC001180654600 1051056491 /nfs/dbraw/zinc/05/64/91/1051056491.db2.gz KRCQHXRGVSUIAL-UHFFFAOYSA-N 0 0 341.361 4.184 20 10 EICDRN COc1cc(C)c(NCc2cccc(Br)c2O)cc1F ZINC000775327015 1051070035 /nfs/dbraw/zinc/07/00/35/1051070035.db2.gz UOUWGTCXJZYYSJ-UHFFFAOYSA-N 0 0 340.192 4.223 20 10 EICDRN COc1cc(C)cc(CN2CCc3ccc(Br)cc32)c1O ZINC001180750111 1051071035 /nfs/dbraw/zinc/07/10/35/1051071035.db2.gz AHIHGBUPAUYOPQ-UHFFFAOYSA-N 0 0 348.240 4.034 20 10 EICDRN O=C(NCc1ccccc1O)C1(c2ccc(Cl)cc2Cl)CC1 ZINC001180859095 1051097078 /nfs/dbraw/zinc/09/70/78/1051097078.db2.gz XQUDXSKBMYZXSQ-UHFFFAOYSA-N 0 0 336.218 4.047 20 10 EICDRN COc1cc(Cl)ccc1NCc1cccc(Br)c1O ZINC000775347847 1051117211 /nfs/dbraw/zinc/11/72/11/1051117211.db2.gz GYXXEMAIANHTHJ-UHFFFAOYSA-N 0 0 342.620 4.429 20 10 EICDRN CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)cc1 ZINC001190445681 1051174490 /nfs/dbraw/zinc/17/44/90/1051174490.db2.gz VRVHBNVFHBXOKG-UHFFFAOYSA-N 0 0 337.416 4.020 20 10 EICDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccc2cc[nH]c2c1 ZINC001174747729 1051175344 /nfs/dbraw/zinc/17/53/44/1051175344.db2.gz WKNDUWYLCBJOKL-XKCNPXHNSA-N 0 0 328.379 4.436 20 10 EICDRN Cc1cc(Nc2ccc(Cl)cc2C(=O)c2ccccc2F)n(C)n1 ZINC001174822867 1051187350 /nfs/dbraw/zinc/18/73/50/1051187350.db2.gz ALSZJCRYRKBDIX-UHFFFAOYSA-N 0 0 343.789 4.496 20 10 EICDRN COCc1ccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc1 ZINC001174917943 1051249873 /nfs/dbraw/zinc/24/98/73/1051249873.db2.gz NXVLMUMJDMJQKX-SMLNAYLFSA-N 0 0 333.395 4.101 20 10 EICDRN Cc1ccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cc1N ZINC001174937797 1051260113 /nfs/dbraw/zinc/26/01/13/1051260113.db2.gz FWYOUGKMWMFNEQ-UHFFFAOYSA-N 0 0 333.391 4.122 20 10 EICDRN C[C@@H](Nc1cccc(C(=O)NCc2ccccc2)c1)c1ccccc1O ZINC000183709244 1051312019 /nfs/dbraw/zinc/31/20/19/1051312019.db2.gz ADBCJQWJBBZDJE-MRXNPFEDSA-N 0 0 346.430 4.495 20 10 EICDRN Cc1c[nH]nc1NC(=O)c1cccc(N=Nc2ccc(N(C)C)cc2)c1 ZINC001190963983 1051313421 /nfs/dbraw/zinc/31/34/21/1051313421.db2.gz MQKPASACCFPNEL-UHFFFAOYSA-N 0 0 348.410 4.452 20 10 EICDRN C[C@@H](NC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000775427170 1051317992 /nfs/dbraw/zinc/31/79/92/1051317992.db2.gz WSJRHTYRDINHOG-SNVBAGLBSA-N 0 0 337.345 4.053 20 10 EICDRN CCCOc1ccccc1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001190993508 1051319065 /nfs/dbraw/zinc/31/90/65/1051319065.db2.gz GBQXTFBBEFMSQR-UHFFFAOYSA-N 0 0 340.467 4.204 20 10 EICDRN Nc1ccc(NC(=O)Nc2ccc(Nc3ccc(O)cc3)cc2)cc1 ZINC001175047956 1051338772 /nfs/dbraw/zinc/33/87/72/1051338772.db2.gz QZXJFRBTRNFLHV-UHFFFAOYSA-N 0 0 334.379 4.362 20 10 EICDRN Cc1cc(C)c(CNC(=O)C2c3ccccc3-c3ccccc32)c(O)c1 ZINC001181918277 1051353328 /nfs/dbraw/zinc/35/33/28/1051353328.db2.gz FGZYSTOMWNLLNP-UHFFFAOYSA-N 0 0 343.426 4.438 20 10 EICDRN C[C@H](NC(=O)Nc1ccccc1OC(F)F)c1ccc(N(C)C)cc1 ZINC000775439925 1051373360 /nfs/dbraw/zinc/37/33/60/1051373360.db2.gz WWLQAAGAMXPZSA-LBPRGKRZSA-N 0 0 349.381 4.237 20 10 EICDRN CC1(C)C[C@H](C(=O)N(Cc2ccccc2)c2ccc(N)cc2)CCO1 ZINC001182023068 1051375615 /nfs/dbraw/zinc/37/56/15/1051375615.db2.gz HPRCIIVHANVZDB-QGZVFWFLSA-N 0 0 338.451 4.007 20 10 EICDRN Nc1ccc(CCc2ccc(Nc3cc(CO)ccc3F)cc2)cc1 ZINC001175130353 1051396624 /nfs/dbraw/zinc/39/66/24/1051396624.db2.gz GSKISGJJOSPLQK-UHFFFAOYSA-N 0 0 336.410 4.429 20 10 EICDRN Cc1cc(Br)c(O)c(CN2CCCOc3ccccc32)c1 ZINC001182160686 1051408653 /nfs/dbraw/zinc/40/86/53/1051408653.db2.gz JNVOJCMDFWWQNV-UHFFFAOYSA-N 0 0 348.240 4.252 20 10 EICDRN COc1ccc2c(c1)CCCCN2Cc1cc(Cl)cc(OC)c1O ZINC001182160047 1051408928 /nfs/dbraw/zinc/40/89/28/1051408928.db2.gz FEIREZYFIFOVGI-UHFFFAOYSA-N 0 0 347.842 4.406 20 10 EICDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1c(F)cc(F)cc1F ZINC001175144416 1051411288 /nfs/dbraw/zinc/41/12/88/1051411288.db2.gz PEFZUYSQGLBYFZ-AYKHIQLFSA-N 0 0 343.312 4.372 20 10 EICDRN C[C@H](NC(=O)COc1cccc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773995202 1051418541 /nfs/dbraw/zinc/41/85/41/1051418541.db2.gz RURHDNSIBOUQRA-INIZCTEOSA-N 0 0 348.446 4.162 20 10 EICDRN C[C@H]([NH2+]Cc1ccccc1CO)c1cc(Cl)c(Cl)cc1[O-] ZINC000774139512 1051460957 /nfs/dbraw/zinc/46/09/57/1051460957.db2.gz MOHYIWTWGJVHKE-JTQLQIEISA-N 0 0 326.223 4.042 20 10 EICDRN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])cc1 ZINC000774134930 1051477783 /nfs/dbraw/zinc/47/77/83/1051477783.db2.gz NTVDPVLUCVZOBV-APPDUMDISA-N 0 0 340.250 4.392 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)NOCCCC(F)(F)F)cc1 ZINC001175284807 1051483734 /nfs/dbraw/zinc/48/37/34/1051483734.db2.gz RXQAUSXBPDNDLG-UHFFFAOYSA-N 0 0 340.345 4.098 20 10 EICDRN C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774186784 1051507283 /nfs/dbraw/zinc/50/72/83/1051507283.db2.gz CWFIJZMSLJQYHX-GTNSWQLSSA-N 0 0 340.250 4.257 20 10 EICDRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000774253237 1051526969 /nfs/dbraw/zinc/52/69/69/1051526969.db2.gz ZMFZCYDUCLOKRT-CYBMUJFWSA-N 0 0 331.460 4.248 20 10 EICDRN Cc1ncc(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])s1 ZINC000774267914 1051536441 /nfs/dbraw/zinc/53/64/41/1051536441.db2.gz YHALPEOOQMNIHG-MRVPVSSYSA-N 0 0 331.268 4.357 20 10 EICDRN C[C@H](Nc1cnn(-c2ccccn2)c1)c1cc(Cl)c(Cl)cc1O ZINC000774300284 1051544664 /nfs/dbraw/zinc/54/46/64/1051544664.db2.gz CCRNVRRWEGZHLN-JTQLQIEISA-N 0 0 349.221 4.453 20 10 EICDRN C[S@@](=O)c1ccc(Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC001175484743 1051611692 /nfs/dbraw/zinc/61/16/92/1051611692.db2.gz XZQLHKMMVVGLGC-XMMPIXPASA-N 0 0 335.428 4.399 20 10 EICDRN CCc1cc(C[NH2+][C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])[nH]n1 ZINC000775508550 1051639853 /nfs/dbraw/zinc/63/98/53/1051639853.db2.gz VPRWVAZKSQBBOI-ZDUSSCGKSA-N 0 0 328.243 4.225 20 10 EICDRN Nc1ccc(NC(=O)Nc2ccc(Nc3cccc(CO)c3)cc2)cc1 ZINC001175516648 1051644804 /nfs/dbraw/zinc/64/48/04/1051644804.db2.gz UWYFJBXPLBJZGI-UHFFFAOYSA-N 0 0 348.406 4.149 20 10 EICDRN O=C(CCC1CCCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000071797641 1051670341 /nfs/dbraw/zinc/67/03/41/1051670341.db2.gz PIQUYAFZTRYKMF-IBGZPJMESA-N 0 0 345.483 4.260 20 10 EICDRN Cn1cc2cc(Nc3ccc(Cc4ccc(N)cc4)cc3)ccc2n1 ZINC001175620972 1051678097 /nfs/dbraw/zinc/67/80/97/1051678097.db2.gz JGPYYQLXUIIQMK-UHFFFAOYSA-N 0 0 328.419 4.490 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCn1ccc2ccccc21 ZINC000071812530 1051704827 /nfs/dbraw/zinc/70/48/27/1051704827.db2.gz ZCHNIQWNVZUPPV-UHFFFAOYSA-N 0 0 349.478 4.146 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)c2scnc2C2CCCC2)c1 ZINC000183976471 1051714362 /nfs/dbraw/zinc/71/43/62/1051714362.db2.gz WDXWCRPFYZLWEG-NSHDSACASA-N 0 0 346.452 4.006 20 10 EICDRN Cc1cccc2c1N[C@@H](c1cc(Cl)c3ccccc3c1O)NC2=O ZINC000774547665 1051721351 /nfs/dbraw/zinc/72/13/51/1051721351.db2.gz QQBFUICQOJNAHB-GOSISDBHSA-N 0 0 338.794 4.361 20 10 EICDRN CC[C@H](Nc1cccc(N2CCNC2=O)c1)c1cc(Cl)ccc1O ZINC000775533948 1051746125 /nfs/dbraw/zinc/74/61/25/1051746125.db2.gz SYMRVMBFXFRPGL-INIZCTEOSA-N 0 0 345.830 4.138 20 10 EICDRN CCOc1ccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cn1 ZINC001175744316 1051755515 /nfs/dbraw/zinc/75/55/15/1051755515.db2.gz YNSKEUFCFRLGKV-UHFFFAOYSA-N 0 0 349.390 4.025 20 10 EICDRN CC[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775554032 1051831553 /nfs/dbraw/zinc/83/15/53/1051831553.db2.gz FVBJWFPTXQHVLJ-ZDUSSCGKSA-N 0 0 332.271 4.292 20 10 EICDRN Oc1cc(Br)ccc1CN[C@H](CF)c1ccc(F)cc1 ZINC001183427936 1051842052 /nfs/dbraw/zinc/84/20/52/1051842052.db2.gz DJSFORAPEXROJV-CQSZACIVSA-N 0 0 342.183 4.094 20 10 EICDRN COc1ccc(Cl)c(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775563626 1051868126 /nfs/dbraw/zinc/86/81/26/1051868126.db2.gz WLVQKVXXMHBYLB-GFCCVEGCSA-N 0 0 347.846 4.297 20 10 EICDRN COc1c(O)c(CNc2ccc(C(C)(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC001183584633 1051869863 /nfs/dbraw/zinc/86/98/63/1051869863.db2.gz ZOAGTVLWDSPBKG-UHFFFAOYSA-N 0 0 348.374 4.358 20 10 EICDRN C[C@@H](NC(=O)NCc1cc2ccccc2cc1O)c1ccc(F)cc1 ZINC001193165795 1051883784 /nfs/dbraw/zinc/88/37/84/1051883784.db2.gz UWGZLKQWUYCILG-CYBMUJFWSA-N 0 0 338.382 4.245 20 10 EICDRN O=C(Nc1ccc(-c2cccnc2)cc1)c1ccc(O)c(O)c1Cl ZINC001193230240 1051893447 /nfs/dbraw/zinc/89/34/47/1051893447.db2.gz RUKUIOOJGLGYNQ-UHFFFAOYSA-N 0 0 340.766 4.066 20 10 EICDRN O=C(Nc1ccc(F)c2ccccc12)c1ccc(O)c(O)c1Cl ZINC001193229761 1051893880 /nfs/dbraw/zinc/89/38/80/1051893880.db2.gz MNJZQKJEELPRQF-UHFFFAOYSA-N 0 0 331.730 4.296 20 10 EICDRN CN(C)c1cc(F)c(CN2CCCCC[C@@H]2C(F)(F)F)cc1F ZINC001183812594 1051896138 /nfs/dbraw/zinc/89/61/38/1051896138.db2.gz QJKRKPUQMDELPV-OAHLLOKOSA-N 0 0 336.348 4.338 20 10 EICDRN Cc1csc(C[C@H]2CC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC001183972179 1051934636 /nfs/dbraw/zinc/93/46/36/1051934636.db2.gz NWFZDHDOLVIWPN-LLVKDONJSA-N 0 0 340.851 4.014 20 10 EICDRN CSc1c(F)cc(NC(=O)N(C)Cc2ccccc2O)cc1F ZINC000184383573 1051942257 /nfs/dbraw/zinc/94/22/57/1051942257.db2.gz VFIANNPNCVDBNJ-UHFFFAOYSA-N 0 0 338.379 4.056 20 10 EICDRN Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001184239616 1051977240 /nfs/dbraw/zinc/97/72/40/1051977240.db2.gz ORLDYSKNTQESAF-UHFFFAOYSA-N 0 0 334.467 4.083 20 10 EICDRN C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CN(Cc2ccccc2)C1 ZINC001184265914 1051981283 /nfs/dbraw/zinc/98/12/83/1051981283.db2.gz WPRQPNVDVASMLG-YJBOKZPZSA-N 0 0 344.886 4.046 20 10 EICDRN C[C@H]1CCC[C@H](C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)C1 ZINC001184501806 1052032178 /nfs/dbraw/zinc/03/21/78/1052032178.db2.gz BLWRTYJOWBFNBZ-JQZYMHQMSA-N 0 0 337.427 4.432 20 10 EICDRN CSc1cncc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c1 ZINC001194090778 1052084444 /nfs/dbraw/zinc/08/44/44/1052084444.db2.gz FZNAUURXWQNSJQ-UHFFFAOYSA-N 0 0 349.459 4.233 20 10 EICDRN COc1c([O-])c(C[N@H+](C)[C@@H](C)c2ccc(C)cc2C)ccc1[N+](=O)[O-] ZINC000774834239 1052175674 /nfs/dbraw/zinc/17/56/74/1052175674.db2.gz DYEKGGZSRSOCSF-AWEZNQCLSA-N 0 0 344.411 4.119 20 10 EICDRN CC[C@H](c1ccccc1)[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774838152 1052189325 /nfs/dbraw/zinc/18/93/25/1052189325.db2.gz BFFZPZIBIXJTQY-MRXNPFEDSA-N 0 0 344.411 4.282 20 10 EICDRN COc1ccc(N(Cc2ccccc2)Cc2cc(C)ncn2)cc1OC ZINC001177021769 1052218707 /nfs/dbraw/zinc/21/87/07/1052218707.db2.gz FVZIUKRHEIJJON-UHFFFAOYSA-N 0 0 349.434 4.009 20 10 EICDRN C[C@H](NC(=O)N1CCC[C@H]1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000773610200 1052222080 /nfs/dbraw/zinc/22/20/80/1052222080.db2.gz CBKMSPIPFVRSIY-KXBFYZLASA-N 0 0 329.488 4.178 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1sccc1C ZINC001177072630 1052224586 /nfs/dbraw/zinc/22/45/86/1052224586.db2.gz BDOJJQMWQWDMNU-ZHACJKMWSA-N 0 0 328.481 4.184 20 10 EICDRN C[C@H](NC(=O)N1CC[C@@H]1c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773610605 1052231792 /nfs/dbraw/zinc/23/17/92/1052231792.db2.gz FCXBXGFOJGXASL-IFXJQAMLSA-N 0 0 341.430 4.109 20 10 EICDRN C[C@@H](NC(=O)N(C)CCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773616096 1052233827 /nfs/dbraw/zinc/23/38/27/1052233827.db2.gz DEGXORHHHXWDKF-QGZVFWFLSA-N 0 0 339.483 4.088 20 10 EICDRN COc1cc([N+](=O)[O-])c(N2CCC(CCC(C)C)CC2)cc1OC ZINC001185717466 1052287370 /nfs/dbraw/zinc/28/73/70/1052287370.db2.gz YCWFSVCNAVNHQB-UHFFFAOYSA-N 0 0 336.432 4.265 20 10 EICDRN CC(C)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000184896351 1052297212 /nfs/dbraw/zinc/29/72/12/1052297212.db2.gz GPQRLCBKMNZICI-RBZFPXEDSA-N 0 0 345.414 4.350 20 10 EICDRN C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(F)cc1[O-] ZINC000185318456 1052580229 /nfs/dbraw/zinc/58/02/29/1052580229.db2.gz WGTWPTCMKCFWEI-GFCCVEGCSA-N 0 0 334.460 4.150 20 10 EICDRN CCc1cnc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2O)s1 ZINC000185583559 1052650481 /nfs/dbraw/zinc/65/04/81/1052650481.db2.gz FLBKHEIJBZZJAF-ZDUSSCGKSA-N 0 0 326.465 4.458 20 10 EICDRN CCN(CC)c1ccc(CNc2nnc(C(F)(F)F)s2)cc1 ZINC000185873327 1052806435 /nfs/dbraw/zinc/80/64/35/1052806435.db2.gz GWBKBMLTHQNVBE-UHFFFAOYSA-N 0 0 330.379 4.015 20 10 EICDRN c1cc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)on1 ZINC000073324490 1052862696 /nfs/dbraw/zinc/86/26/96/1052862696.db2.gz JRONRHMUKCOBEL-HNNXBMFYSA-N 0 0 341.436 4.009 20 10 EICDRN CCC(CC)COC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001194721356 1053087141 /nfs/dbraw/zinc/08/71/41/1053087141.db2.gz GWAXAFSHBNYJMH-UHFFFAOYSA-N 0 0 336.819 4.256 20 10 EICDRN CCOC(=O)/C=C/c1ccc(NCc2ccc(N(C)C)cc2C)cc1 ZINC000863995382 1053118073 /nfs/dbraw/zinc/11/80/73/1053118073.db2.gz VVWYVWAZUNRONN-MDWZMJQESA-N 0 0 338.451 4.249 20 10 EICDRN CCN(CC)c1ccc(CNc2ccc(C(=O)OC)c(F)c2)cc1F ZINC000864009238 1053132146 /nfs/dbraw/zinc/13/21/46/1053132146.db2.gz WJENWBDBZYACKV-UHFFFAOYSA-N 0 0 348.393 4.210 20 10 EICDRN COCc1ccc(NCc2c(O)cccc2OC)cc1C(F)(F)F ZINC000850371202 1053149599 /nfs/dbraw/zinc/14/95/99/1053149599.db2.gz VNMCGLHWJBBYHY-UHFFFAOYSA-N 0 0 341.329 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/nfs/dbraw/zinc/28/15/02/1053281502.db2.gz DTDNJNKZBRUJER-VHSXEESVSA-N 0 0 343.320 4.067 20 10 EICDRN COc1cc2c(c(OC)c1)N(Cc1ccc(Cl)c(OC)c1)CCC2 ZINC001195180186 1053300472 /nfs/dbraw/zinc/30/04/72/1053300472.db2.gz ROTJXJOOQOGSHE-UHFFFAOYSA-N 0 0 347.842 4.319 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cccc(C(F)(F)F)c1[O-] ZINC000850542202 1053305039 /nfs/dbraw/zinc/30/50/39/1053305039.db2.gz JDJANUHXAWGTPL-MGPLVRAMSA-N 0 0 337.341 4.455 20 10 EICDRN COc1cccc([C@@H](C)Nc2ccc(OC(F)F)c(OC)c2)c1O ZINC000850560596 1053316366 /nfs/dbraw/zinc/31/63/66/1053316366.db2.gz GCSWIROBNISXEH-SNVBAGLBSA-N 0 0 339.338 4.184 20 10 EICDRN CCCCCCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000101767146 1053324334 /nfs/dbraw/zinc/32/43/34/1053324334.db2.gz NKJVQYSUHXGIRW-UHFFFAOYSA-N 0 0 330.428 4.277 20 10 EICDRN Cc1cccc(CNC(=O)Oc2ccccc2C(F)(F)F)c1O ZINC001195216948 1053335530 /nfs/dbraw/zinc/33/55/30/1053335530.db2.gz MJYUCZOXJKFHOZ-UHFFFAOYSA-N 0 0 325.286 4.008 20 10 EICDRN Cc1ccc(/C=C2/SC(=S)N(c3c(C)cccc3C)C2=O)cn1 ZINC000764891051 1053352224 /nfs/dbraw/zinc/35/22/24/1053352224.db2.gz JEPPNHAORBJNIU-OQLLNIDSSA-N 0 0 340.473 4.413 20 10 EICDRN CCCc1cnc(NC(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000776487331 1053355779 /nfs/dbraw/zinc/35/57/79/1053355779.db2.gz JWDUOMCXRLXTHR-UHFFFAOYSA-N 0 0 344.484 4.018 20 10 EICDRN COc1ccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)c(O)c1 ZINC000794760612 1053362470 /nfs/dbraw/zinc/36/24/70/1053362470.db2.gz UHXSSAHYPMJDML-UHFFFAOYSA-N 0 0 348.402 4.390 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000764899633 1053364695 /nfs/dbraw/zinc/36/46/95/1053364695.db2.gz PLWUUMGMNHDSOF-UHFFFAOYSA-N 0 0 342.458 4.218 20 10 EICDRN COc1ccc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)c(O)c1 ZINC000794761520 1053371192 /nfs/dbraw/zinc/37/11/92/1053371192.db2.gz FQRMTPQEWVMLMI-UHFFFAOYSA-N 0 0 341.194 4.029 20 10 EICDRN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775659353 1053417955 /nfs/dbraw/zinc/41/79/55/1053417955.db2.gz 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CCN(Cc1ccc(N(C)C)cc1)C(=S)Nc1cc(F)ccc1C ZINC001195905590 1053521680 /nfs/dbraw/zinc/52/16/80/1053521680.db2.gz OEPIVENZBLHIAL-UHFFFAOYSA-N 0 0 345.487 4.419 20 10 EICDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CCC(F)CC1 ZINC000851988516 1053539636 /nfs/dbraw/zinc/53/96/36/1053539636.db2.gz ZYOBLBDAZYUIRT-ZLPCBKJTSA-N 0 0 347.478 4.003 20 10 EICDRN Cc1ccc(Cl)c(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1C ZINC000765423213 1053541636 /nfs/dbraw/zinc/54/16/36/1053541636.db2.gz IOBPRFXZXQDHBE-UHFFFAOYSA-N 0 0 349.837 4.484 20 10 EICDRN Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])s1 ZINC000775685488 1053563203 /nfs/dbraw/zinc/56/32/03/1053563203.db2.gz OMJMFUHEEUQDTH-SECBINFHSA-N 0 0 328.840 4.451 20 10 EICDRN CN(C)c1ccc(/C=C/CNc2ccn(C3CCSCC3)n2)cc1 ZINC000865667952 1053570082 /nfs/dbraw/zinc/57/00/82/1053570082.db2.gz YWPGUILGCOMVGN-ONEGZZNKSA-N 0 0 342.512 4.143 20 10 EICDRN O=C1/C(=C/c2ccc(C(F)F)cc2)SC(=S)N1c1cccnc1 ZINC000794869389 1053597358 /nfs/dbraw/zinc/59/73/58/1053597358.db2.gz 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ZINC001198709250 1054244591 /nfs/dbraw/zinc/24/45/91/1054244591.db2.gz PFHBPSWHAXHNEJ-UHFFFAOYSA-N 0 0 326.252 4.183 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)[C@H](CC)OC1CCCCC1 ZINC000857466884 1054255908 /nfs/dbraw/zinc/25/59/08/1054255908.db2.gz KPQVTKZEXHFJMY-IBGZPJMESA-N 0 0 333.472 4.259 20 10 EICDRN Cc1cccc(S(=O)(=O)CCCNc2ccccc2NC(C)C)c1 ZINC000871845683 1054300866 /nfs/dbraw/zinc/30/08/66/1054300866.db2.gz HKFHKGMMOMXMOQ-UHFFFAOYSA-N 0 0 346.496 4.091 20 10 EICDRN CC(C)c1cccc(O[C@H](C)C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857547757 1054306732 /nfs/dbraw/zinc/30/67/32/1054306732.db2.gz SGLZFGUJMOVLBV-CYBMUJFWSA-N 0 0 347.842 4.253 20 10 EICDRN CCCOc1ccc(C[NH2+][C@H](C(=O)[O-])[C@@H](C)c2ccccc2)cc1C ZINC000871874252 1054315545 /nfs/dbraw/zinc/31/55/45/1054315545.db2.gz JJDQUIZDIGHGTJ-JXFKEZNVSA-N 0 0 341.451 4.130 20 10 EICDRN CCCOc1ccc(C[NH2+]C[C@@H](CC(=O)[O-])c2ccccc2)cc1C ZINC000871877541 1054316906 /nfs/dbraw/zinc/31/69/06/1054316906.db2.gz MJOGZIAPZQGVDW-LJQANCHMSA-N 0 0 341.451 4.132 20 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CC[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000858449582 1054492906 /nfs/dbraw/zinc/49/29/06/1054492906.db2.gz OMFNMWZAAXGABL-CHWSQXEVSA-N 0 0 347.768 4.086 20 10 EICDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(COC)c(OC)c2)cc1 ZINC000858568280 1054520173 /nfs/dbraw/zinc/52/01/73/1054520173.db2.gz QJLFGHYIHJURQS-OAHLLOKOSA-N 0 0 328.456 4.471 20 10 EICDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000858582242 1054527826 /nfs/dbraw/zinc/52/78/26/1054527826.db2.gz OKUXPCQYZLTVCD-PIGZYNQJSA-N 0 0 345.826 4.170 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC001200931778 1054580481 /nfs/dbraw/zinc/58/04/81/1054580481.db2.gz DBDYNXCRBAFPNA-UHFFFAOYSA-N 0 0 337.675 4.031 20 10 EICDRN C[C@H](NC(=O)NC1(c2ccccc2)CCC1)c1ccc(N(C)C)cc1 ZINC000776131462 1054619363 /nfs/dbraw/zinc/61/93/63/1054619363.db2.gz KYONTOGOSYRKKR-INIZCTEOSA-N 0 0 337.467 4.192 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000825736489 1054655501 /nfs/dbraw/zinc/65/55/01/1054655501.db2.gz AHOYGPVGAIVCMO-QGTPRVQTSA-N 0 0 339.435 4.162 20 10 EICDRN CC1CCN(c2ccc(CNC(=O)c3coc(C(F)F)c3)cc2)CC1 ZINC000859282962 1054656644 /nfs/dbraw/zinc/65/66/44/1054656644.db2.gz AEESWSNYSKQQLV-UHFFFAOYSA-N 0 0 348.393 4.384 20 10 EICDRN Cn1cnc2cc(NCc3ccc(OC(F)F)c(Cl)c3)ccc21 ZINC001201114630 1054666765 /nfs/dbraw/zinc/66/67/65/1054666765.db2.gz JQWSVRWKNPQDQY-UHFFFAOYSA-N 0 0 337.757 4.440 20 10 EICDRN CN(C)c1ccc(-c2nc(-c3ccc(NC(N)=O)cc3)cs2)cc1 ZINC000888642468 1054668295 /nfs/dbraw/zinc/66/82/95/1054668295.db2.gz MPOJLEGFYRANDX-UHFFFAOYSA-N 0 0 338.436 4.034 20 10 EICDRN Cc1cc(C)cc(NC(=S)NCc2cc(OC3CCC3)ccn2)c1 ZINC001201216356 1054729107 /nfs/dbraw/zinc/72/91/07/1054729107.db2.gz KPBWCBXKYCLNIM-UHFFFAOYSA-N 0 0 341.480 4.116 20 10 EICDRN COc1ccc(N(CCCn2ccnc2C)Cc2ccco2)cc1F ZINC000125247722 1054756399 /nfs/dbraw/zinc/75/63/99/1054756399.db2.gz HDYKTCKAAWMSHO-UHFFFAOYSA-N 0 0 343.402 4.029 20 10 EICDRN CC(C)CCSCC(=O)N(Cc1ccco1)Cc1ccccc1O 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EICDRN CCC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000861438267 1054940606 /nfs/dbraw/zinc/94/06/06/1054940606.db2.gz YGBIXHZNHQDPJG-CQSZACIVSA-N 0 0 339.439 4.228 20 10 EICDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](C)c2ccccc2)c1 ZINC001201930086 1054942846 /nfs/dbraw/zinc/94/28/46/1054942846.db2.gz UUYCNPQENDGENC-ZDUSSCGKSA-N 0 0 334.257 4.356 20 10 EICDRN CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001137110554 1054945400 /nfs/dbraw/zinc/94/54/00/1054945400.db2.gz OFCQLAMKHFWVAW-YPMHNXCESA-N 0 0 333.453 4.353 20 10 EICDRN Cc1cc(C(=O)N2C[C@@H](C)S[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC001137111148 1054950736 /nfs/dbraw/zinc/95/07/36/1054950736.db2.gz DDVNFOCIAFUSOV-OKILXGFUSA-N 0 0 346.471 4.199 20 10 EICDRN Cc1cc(C(=O)N2C[C@@H](C)S[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC001137111966 1054953593 /nfs/dbraw/zinc/95/35/93/1054953593.db2.gz YLQBEOHJEZILAU-IYBDPMFKSA-N 0 0 342.508 4.369 20 10 EICDRN CC[C@@H]1CCC[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000825906030 1054956588 /nfs/dbraw/zinc/95/65/88/1054956588.db2.gz UGPVHWJEFSCTKH-CRAIPNDOSA-N 0 0 327.424 4.340 20 10 EICDRN COc1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000825903435 1054957908 /nfs/dbraw/zinc/95/79/08/1054957908.db2.gz HHJKUTQFUDIDKT-IBGZPJMESA-N 0 0 340.467 4.430 20 10 EICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000861562204 1054959747 /nfs/dbraw/zinc/95/97/47/1054959747.db2.gz UOXRXDIUWPCMPS-CEWLAPEOSA-N 0 0 335.447 4.107 20 10 EICDRN Cc1nn(-c2ccccc2)cc1NC/C=C/c1ccc(N(C)C)cc1 ZINC001201946855 1054963232 /nfs/dbraw/zinc/96/32/32/1054963232.db2.gz MRNSEDPUWLJVLI-BQYQJAHWSA-N 0 0 332.451 4.372 20 10 EICDRN COc1ccc(NCc2c(C)cccc2O)cc1OCC(F)(F)F ZINC000876821538 1054963504 /nfs/dbraw/zinc/96/35/04/1054963504.db2.gz HLCZZYDCIXVRLE-UHFFFAOYSA-N 0 0 341.329 4.262 20 10 EICDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C12CCC(CC1)C2 ZINC001201971188 1054973313 /nfs/dbraw/zinc/97/33/13/1054973313.db2.gz MBBTYOMFBZXMPO-UHFFFAOYSA-N 0 0 330.653 4.230 20 10 EICDRN 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CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NCc1ccccc1 ZINC000917593675 1047015081 /nfs/dbraw/zinc/01/50/81/1047015081.db2.gz SHJCFSAXWCDSSM-UHFFFAOYSA-N 0 0 341.524 4.038 20 10 EICDRN Cc1ccncc1/C=C\C(=O)N1CCCSc2ccc(F)cc21 ZINC000787986534 1047085938 /nfs/dbraw/zinc/08/59/38/1047085938.db2.gz FMKXZCJCZYSVSD-UTCJRWHESA-N 0 0 328.412 4.071 20 10 EICDRN CC[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cccc(Cl)c1[O-] ZINC000806132862 1047124989 /nfs/dbraw/zinc/12/49/89/1047124989.db2.gz BSWNVNJXZRQOEM-SUMWQHHRSA-N 0 0 331.843 4.338 20 10 EICDRN CCCOc1ccc(C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])cn1 ZINC000806137702 1047135229 /nfs/dbraw/zinc/13/52/29/1047135229.db2.gz MSMRFLKRPVYDJF-MRXNPFEDSA-N 0 0 334.847 4.470 20 10 EICDRN CC[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1cccc(Cl)c1[O-] ZINC000806128721 1047147045 /nfs/dbraw/zinc/14/70/45/1047147045.db2.gz NWPSNAMFKWXCCP-QZTJIDSGSA-N 0 0 332.875 4.389 20 10 EICDRN CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc(Cl)c1[O-] ZINC000806129975 1047152452 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332.831 4.437 20 10 EICDRN CC[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1cccc(Cl)c1[O-] ZINC000806157924 1047180327 /nfs/dbraw/zinc/18/03/27/1047180327.db2.gz BZXRMNQXCYQBSQ-OAHLLOKOSA-N 0 0 329.831 4.173 20 10 EICDRN CC[C@@H](Nc1ccc(NC(=O)COC)cc1)c1cccc(Cl)c1O ZINC000806156065 1047180355 /nfs/dbraw/zinc/18/03/55/1047180355.db2.gz XCPLKTYTFXEXDC-MRXNPFEDSA-N 0 0 348.830 4.194 20 10 EICDRN CC[C@H]([NH2+][C@H](CCOC)Cc1ccco1)c1cccc(Cl)c1[O-] ZINC000806159216 1047182563 /nfs/dbraw/zinc/18/25/63/1047182563.db2.gz ZVPZHDXUGWNXTI-DYVFJYSZSA-N 0 0 337.847 4.327 20 10 EICDRN CC[C@H]([NH2+][C@H](CO)CC1CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806162782 1047184061 /nfs/dbraw/zinc/18/40/61/1047184061.db2.gz FYKBPTYLJVXFAL-WFASDCNBSA-N 0 0 332.271 4.291 20 10 EICDRN CC[C@H]([NH2+]CCN1CC=CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806163190 1047188002 /nfs/dbraw/zinc/18/80/02/1047188002.db2.gz NGRUXGLSKRFXAU-HNNXBMFYSA-N 0 0 329.271 4.002 20 10 EICDRN C[C@H](O)CCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000788543974 1047217842 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329.440 4.291 20 10 EICDRN Cc1cc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cc(C)c1N ZINC001175938529 1051832833 /nfs/dbraw/zinc/83/28/33/1051832833.db2.gz NGLHTJHIUOGYFN-UHFFFAOYSA-N 0 0 347.418 4.431 20 10 EICDRN Nc1ccc(NC(=O)Nc2ccc(Nc3cscn3)cc2)cc1 ZINC001175946560 1051864595 /nfs/dbraw/zinc/86/45/95/1051864595.db2.gz YEWYWWHICABZBN-UHFFFAOYSA-N 0 0 325.397 4.113 20 10 EICDRN COc1cc(C(=O)Nc2cccc(-c3ccccc3C)c2)cc(O)c1O ZINC001193103890 1051871406 /nfs/dbraw/zinc/87/14/06/1051871406.db2.gz CHYOWWPAGPOYLB-UHFFFAOYSA-N 0 0 349.386 4.334 20 10 EICDRN Cc1cc(CCNC(=O)OC2CCCC2)c(C)n1-c1ccccc1 ZINC001193234339 1051888971 /nfs/dbraw/zinc/88/89/71/1051888971.db2.gz SUSMPMURKKQDRQ-UHFFFAOYSA-N 0 0 326.440 4.305 20 10 EICDRN C[C@@H](NC(=O)c1ccc(O)c(O)c1Cl)c1cccc(Cl)c1F ZINC001193236411 1051889061 /nfs/dbraw/zinc/88/90/61/1051889061.db2.gz BMZRTOHAXVFVAO-SSDOTTSWSA-N 0 0 344.169 4.035 20 10 EICDRN Cc1ccccc1CC(C)(C)CNC(=O)c1ccc(O)c(O)c1Cl ZINC001193247047 1051890009 /nfs/dbraw/zinc/89/00/09/1051890009.db2.gz 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ZINC001184644099 1052067811 /nfs/dbraw/zinc/06/78/11/1052067811.db2.gz HPFXRDLVBZGNML-UHFFFAOYSA-N 0 0 346.406 4.161 20 10 EICDRN Nc1ccc(N(c2cnn(Cc3cccnc3)c2)c2ccccc2)cc1 ZINC001176456642 1052077594 /nfs/dbraw/zinc/07/75/94/1052077594.db2.gz SRPISFZQCBKHFY-UHFFFAOYSA-N 0 0 341.418 4.378 20 10 EICDRN Cc1ccc(-c2ccsc2C(=O)NCc2cccc(O)c2O)cc1 ZINC001176565573 1052132737 /nfs/dbraw/zinc/13/27/37/1052132737.db2.gz LNBPAIQHKKLCHQ-UHFFFAOYSA-N 0 0 339.416 4.065 20 10 EICDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773610588 1052231659 /nfs/dbraw/zinc/23/16/59/1052231659.db2.gz FBAYSUVJHGOJRV-UONOGXRCSA-N 0 0 331.485 4.244 20 10 EICDRN CC[C@@H](C)Oc1cc(NCc2c(O)ccc3c2CCCC3)nc(C)n1 ZINC001185519154 1052254568 /nfs/dbraw/zinc/25/45/68/1052254568.db2.gz UXDSPVHAPXRDTM-CYBMUJFWSA-N 0 0 341.455 4.159 20 10 EICDRN COc1c(O)c(CNc2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000774915709 1052284154 /nfs/dbraw/zinc/28/41/54/1052284154.db2.gz SUEPDGKAEQMTON-UHFFFAOYSA-N 0 0 330.384 4.219 20 10 EICDRN C[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccc(F)cc1[O-] ZINC000185010247 1052360343 /nfs/dbraw/zinc/36/03/43/1052360343.db2.gz UNZBLYAVLXNWAO-ZDUSSCGKSA-N 0 0 330.403 4.099 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2c(C)cccc2SC)c1 ZINC000185026841 1052366944 /nfs/dbraw/zinc/36/69/44/1052366944.db2.gz DLFLGMCCRQIMAQ-GFCCVEGCSA-N 0 0 346.452 4.314 20 10 EICDRN Cc1cnc(CN(Cc2cccs2)c2ccc3c(c2)OCCO3)o1 ZINC000072600839 1052498130 /nfs/dbraw/zinc/49/81/30/1052498130.db2.gz HRDOMMGNYWBGMS-UHFFFAOYSA-N 0 0 342.420 4.023 20 10 EICDRN C[C@@H]([NH2+]C1CCN([C@H](C)c2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000185469438 1052610833 /nfs/dbraw/zinc/61/08/33/1052610833.db2.gz VQBLCFOMKHZVQV-HZPDHXFCSA-N 0 0 342.458 4.408 20 10 EICDRN Cc1ccc([C@@H](C)N[C@H](C)c2noc(Cc3ccccc3)n2)c(O)c1 ZINC000185667145 1052672457 /nfs/dbraw/zinc/67/24/57/1052672457.db2.gz OWINQGIEUDZGQR-HUUCEWRRSA-N 0 0 337.423 4.086 20 10 EICDRN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)c(C)n1-c1ccccn1 ZINC001299248233 1052759094 /nfs/dbraw/zinc/75/90/94/1052759094.db2.gz IWLOADUIRFBJFS-MSOLQXFVSA-N 0 0 339.483 4.434 20 10 EICDRN c1cc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)on1 ZINC000073324493 1052862784 /nfs/dbraw/zinc/86/27/84/1052862784.db2.gz JRONRHMUKCOBEL-OAHLLOKOSA-N 0 0 341.436 4.009 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3cccc(F)c3C2)cc1 ZINC001127729025 1053027573 /nfs/dbraw/zinc/02/75/73/1053027573.db2.gz URONCKQJNRNBQF-UHFFFAOYSA-N 0 0 348.421 4.432 20 10 EICDRN Cc1nc(CNCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)[nH]c1C ZINC000850285595 1053106256 /nfs/dbraw/zinc/10/62/56/1053106256.db2.gz VQEHNVJXXBIYPE-ZDUSSCGKSA-N 0 0 346.906 4.206 20 10 EICDRN COc1cccc(OC)c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000850355573 1053127076 /nfs/dbraw/zinc/12/70/76/1053127076.db2.gz JFXYOBVAZMQDSJ-UHFFFAOYSA-N 0 0 342.222 4.006 20 10 EICDRN CCOc1ccc(O)c(CNc2ccc3c(c2)[C@H](O)CCCC3)c1 ZINC000850362462 1053133448 /nfs/dbraw/zinc/13/34/48/1053133448.db2.gz IWDVANQDLOVTBU-HXUWFJFHSA-N 0 0 327.424 4.163 20 10 EICDRN CCOc1ccc(N(C)Cc2ccc([N+](=O)[O-])c(OCC)c2)cc1 ZINC000864012370 1053136555 /nfs/dbraw/zinc/13/65/55/1053136555.db2.gz IXNUWUDIARLLOT-UHFFFAOYSA-N 0 0 330.384 4.029 20 10 EICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000850365166 1053140348 /nfs/dbraw/zinc/14/03/48/1053140348.db2.gz GRFODEVFPKDIRI-UHFFFAOYSA-N 0 0 339.769 4.155 20 10 EICDRN Cn1cc(-c2cccc(NCc3ccc(N4CCCCC4)cc3)c2)nn1 ZINC000850403973 1053174186 /nfs/dbraw/zinc/17/41/86/1053174186.db2.gz XSBCZGODDJHPLJ-UHFFFAOYSA-N 0 0 347.466 4.085 20 10 EICDRN Cc1ccncc1CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000850505818 1053265347 /nfs/dbraw/zinc/26/53/47/1053265347.db2.gz YWWYQLBQPGQVOJ-LLVKDONJSA-N 0 0 325.239 4.296 20 10 EICDRN C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000850505166 1053265505 /nfs/dbraw/zinc/26/55/05/1053265505.db2.gz NYFFSLAQKSLLKA-MEBBXXQBSA-N 0 0 335.341 4.072 20 10 EICDRN C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000850525510 1053284957 /nfs/dbraw/zinc/28/49/57/1053284957.db2.gz JWAVIYZCFQSSOP-HNHYXYPQSA-N 0 0 337.341 4.240 20 10 EICDRN CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cc(OC)ccc2OC)cc1 ZINC000764750236 1053290860 /nfs/dbraw/zinc/29/08/60/1053290860.db2.gz XSOVTITWHYLQLB-OAHLLOKOSA-N 0 0 328.456 4.011 20 10 EICDRN COc1ccc(C[NH2+]C[C@@H](CC(=O)[O-])C2CCCCCC2)cc1C ZINC000864521132 1053302251 /nfs/dbraw/zinc/30/22/51/1053302251.db2.gz FSTPWDWKBKNLIX-GOSISDBHSA-N 0 0 333.472 4.155 20 10 EICDRN COc1cccc(C2([NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])CCC2)c1 ZINC000850565984 1053320277 /nfs/dbraw/zinc/32/02/77/1053320277.db2.gz IVWPCPJTJGLTQS-LBPRGKRZSA-N 0 0 333.378 4.409 20 10 EICDRN C[C@@H]1CCC[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000101794787 1053327652 /nfs/dbraw/zinc/32/76/52/1053327652.db2.gz BTFQJKSWLGDXQS-WBVHZDCISA-N 0 0 342.439 4.276 20 10 EICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000775647587 1053341147 /nfs/dbraw/zinc/34/11/47/1053341147.db2.gz YRGMKBMLORQTKJ-MRXNPFEDSA-N 0 0 345.826 4.154 20 10 EICDRN COc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000764859661 1053342500 /nfs/dbraw/zinc/34/25/00/1053342500.db2.gz LABOIYVHBPQGIA-MRXNPFEDSA-N 0 0 342.483 4.399 20 10 EICDRN CC(C)C[C@H](C(=O)NCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000850712295 1053342978 /nfs/dbraw/zinc/34/29/78/1053342978.db2.gz VYKYYTAACGYSDC-SFHVURJKSA-N 0 0 330.859 4.368 20 10 EICDRN Cc1c(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)ncn1C ZINC001195261073 1053350250 /nfs/dbraw/zinc/35/02/50/1053350250.db2.gz CUYRXBOINODDAZ-QURGRASLSA-N 0 0 335.367 4.102 20 10 EICDRN O=C(c1ccccc1NN=C1C=CC(=O)C=C1)N1CCn2cccc2C1 ZINC001195264888 1053351229 /nfs/dbraw/zinc/35/12/29/1053351229.db2.gz APOPQCQAHRSRJR-QURGRASLSA-N 0 0 346.390 4.265 20 10 EICDRN Cc1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cn1 ZINC000764892699 1053353660 /nfs/dbraw/zinc/35/36/60/1053353660.db2.gz YHSIGUOVUVVPLQ-ZSOIEALJSA-N 0 0 346.864 4.449 20 10 EICDRN O=C(c1ccccc1NN=C1C=CC(=O)C=C1)N1CC(C(F)F)C1 ZINC001195276118 1053354923 /nfs/dbraw/zinc/35/49/23/1053354923.db2.gz YZVVIBCWPJXFLZ-QZQOTICOSA-N 0 0 331.322 4.145 20 10 EICDRN Cc1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cn1 ZINC000764885677 1053355688 /nfs/dbraw/zinc/35/56/88/1053355688.db2.gz MLPIUNJSEHMYSI-VTTYLAKYSA-N 0 0 332.494 4.170 20 10 EICDRN O=C(NCCn1cccc1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195279844 1053357278 /nfs/dbraw/zinc/35/72/78/1053357278.db2.gz TZPNKXMHKQLWHV-QURGRASLSA-N 0 0 334.379 4.039 20 10 EICDRN C[C@H](NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1)c1cncnc1 ZINC001195279501 1053359172 /nfs/dbraw/zinc/35/91/72/1053359172.db2.gz QUSZSQLDNMTKJN-LRNBNYQNSA-N 0 0 347.378 4.089 20 10 EICDRN C[C@H](NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1)c1ccno1 ZINC001195278554 1053359718 /nfs/dbraw/zinc/35/97/18/1053359718.db2.gz LCRYKVCVMROKOL-PIBWJKQFSA-N 0 0 336.351 4.287 20 10 EICDRN CCOCCC1(C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000764894104 1053361295 /nfs/dbraw/zinc/36/12/95/1053361295.db2.gz CXWLRBQQSWJOTE-UHFFFAOYSA-N 0 0 346.515 4.088 20 10 EICDRN Cc1cc(Cl)cc(CN2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000775649556 1053378170 /nfs/dbraw/zinc/37/81/70/1053378170.db2.gz LGDMFELDSCRJIS-KRWDZBQOSA-N 0 0 335.806 4.067 20 10 EICDRN Oc1c(Br)cccc1CNc1ncccc1C(F)(F)F ZINC000764935458 1053385277 /nfs/dbraw/zinc/38/52/77/1053385277.db2.gz UMWALZMPCZQKHF-UHFFFAOYSA-N 0 0 347.134 4.181 20 10 EICDRN Oc1c(Br)cccc1CNc1ccc2ccc(F)cc2n1 ZINC000764934831 1053386240 /nfs/dbraw/zinc/38/62/40/1053386240.db2.gz NLLGRTSGDUDUHQ-UHFFFAOYSA-N 0 0 347.187 4.454 20 10 EICDRN COc1ccc(O)c(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC000775655562 1053411519 /nfs/dbraw/zinc/41/15/19/1053411519.db2.gz GNAZWUBMKHNFCN-UHFFFAOYSA-N 0 0 342.826 4.094 20 10 EICDRN CCn1c(Sc2ncc(Cl)s2)nnc1-c1cccs1 ZINC000765000483 1053412950 /nfs/dbraw/zinc/41/29/50/1053412950.db2.gz NTOUVMFXIUFQOE-UHFFFAOYSA-N 0 0 328.875 4.288 20 10 EICDRN Cc1ccc(Cl)c(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000765016249 1053420994 /nfs/dbraw/zinc/42/09/94/1053420994.db2.gz WVFIFOIPLGRCGF-AWEZNQCLSA-N 0 0 331.847 4.053 20 10 EICDRN CN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccc1O ZINC000109771555 1053423283 /nfs/dbraw/zinc/42/32/83/1053423283.db2.gz WMLVSMLYSXLOGD-UHFFFAOYSA-N 0 0 346.430 4.130 20 10 EICDRN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000775670453 1053466496 /nfs/dbraw/zinc/46/64/96/1053466496.db2.gz ZHKNVSWIBVLXFO-HKUYNNGSSA-N 0 0 331.843 4.134 20 10 EICDRN Fc1ccccc1NC(=S)NCc1nccc(Cl)c1Cl ZINC001195802049 1053492685 /nfs/dbraw/zinc/49/26/85/1053492685.db2.gz WJMSYONMEDJYJP-UHFFFAOYSA-N 0 0 330.215 4.014 20 10 EICDRN CCCCC[C@@H](CC)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775675338 1053507471 /nfs/dbraw/zinc/50/74/71/1053507471.db2.gz BIEJIGUXHDEGHQ-QZTJIDSGSA-N 0 0 346.515 4.307 20 10 EICDRN CCOc1ccc(N(CC)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000851829303 1053523613 /nfs/dbraw/zinc/52/36/13/1053523613.db2.gz HJDOCFDZEUFRGT-KRWDZBQOSA-N 0 0 346.515 4.196 20 10 EICDRN Oc1ccccc1CN(Cc1ccco1)c1ncnc2ccsc21 ZINC000775679589 1053555146 /nfs/dbraw/zinc/55/51/46/1053555146.db2.gz LORYHNXXXWRSKB-UHFFFAOYSA-N 0 0 337.404 4.197 20 10 EICDRN CN(C)c1ccc(/C=C\CNc2ccn(C3CCSCC3)n2)cc1 ZINC000865667951 1053569710 /nfs/dbraw/zinc/56/97/10/1053569710.db2.gz YWPGUILGCOMVGN-ARJAWSKDSA-N 0 0 342.512 4.143 20 10 EICDRN C[C@H]([NH2+]Cc1ccc(CO)cc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000842892234 1053583002 /nfs/dbraw/zinc/58/30/02/1053583002.db2.gz ABMDWRJVFLMUQH-JTQLQIEISA-N 0 0 326.223 4.042 20 10 EICDRN COc1ccc(CNc2ncnc3oc(-c4ccccc4)cc32)c(O)c1 ZINC000794864571 1053583221 /nfs/dbraw/zinc/58/32/21/1053583221.db2.gz LZPQZMVPVJOLOG-UHFFFAOYSA-N 0 0 347.374 4.216 20 10 EICDRN C[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC001196204843 1053612238 /nfs/dbraw/zinc/61/22/38/1053612238.db2.gz RCKICZCOVUZLFH-SNVBAGLBSA-N 0 0 340.370 4.459 20 10 EICDRN CCOc1ccc(O)c(CN(C)Cc2nc3ccccc3s2)c1 ZINC000120801781 1053620513 /nfs/dbraw/zinc/62/05/13/1053620513.db2.gz YRROPSCMUMUULT-UHFFFAOYSA-N 0 0 328.437 4.033 20 10 EICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000775733772 1053713086 /nfs/dbraw/zinc/71/30/86/1053713086.db2.gz 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Cc1scc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1C ZINC001129973141 1046819468 /nfs/dbraw/zinc/81/94/68/1046819468.db2.gz BXJIPECQKDMDKB-CYBMUJFWSA-N 0 0 330.497 4.100 20 10 EICDRN CCCCCC[C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001129993585 1046826822 /nfs/dbraw/zinc/82/68/22/1046826822.db2.gz XLRDSFFAIFLZSG-QZTJIDSGSA-N 0 0 346.515 4.244 20 10 EICDRN CN(Cc1ccccc1O)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000917307260 1046837724 /nfs/dbraw/zinc/83/77/24/1046837724.db2.gz IBXQFOGOMJNLBX-UHFFFAOYSA-N 0 0 349.455 4.492 20 10 EICDRN CN(Cc1ccccc1O)C(=O)c1cc2c(s1)CCCCCC2 ZINC000917308066 1046838056 /nfs/dbraw/zinc/83/80/56/1046838056.db2.gz ZLUVYFASOZUFSU-UHFFFAOYSA-N 0 0 329.465 4.385 20 10 EICDRN Cc1ccc(CN(C)C(=O)c2sccc2-n2c(C)ccc2C)o1 ZINC000917388173 1046866825 /nfs/dbraw/zinc/86/68/25/1046866825.db2.gz KHYOZESERWGJEL-UHFFFAOYSA-N 0 0 328.437 4.329 20 10 EICDRN CCC1(CC)Oc2ccc(NCc3cccc(OC)c3O)cc2O1 ZINC000786832610 1046872037 /nfs/dbraw/zinc/87/20/37/1046872037.db2.gz XCHYPDGAIMSPPU-UHFFFAOYSA-N 0 0 329.396 4.300 20 10 EICDRN COC[C@@H](C)Oc1ccc(Cl)cc1NCc1cc(C)ccc1O ZINC000786832139 1046872225 /nfs/dbraw/zinc/87/22/25/1046872225.db2.gz WVOBOXDWBXCPJN-CYBMUJFWSA-N 0 0 335.831 4.380 20 10 EICDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2ccccc2)c1 ZINC000805257627 1046872933 /nfs/dbraw/zinc/87/29/33/1046872933.db2.gz AWICLVAUMSMJPK-BENRWUELSA-N 0 0 331.371 4.417 20 10 EICDRN CC(C)[C@H](N[C@H](C)c1cc(Br)ccc1O)C(F)(F)F ZINC000786973244 1046886651 /nfs/dbraw/zinc/88/66/51/1046886651.db2.gz HKAQDUXTQMFEIF-PELKAZGASA-N 0 0 340.183 4.392 20 10 EICDRN Cc1sccc1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000787121028 1046911953 /nfs/dbraw/zinc/91/19/53/1046911953.db2.gz LQBJVTKSEKQUTF-UHFFFAOYSA-N 0 0 341.432 4.127 20 10 EICDRN COC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC000787302912 1046987418 /nfs/dbraw/zinc/98/74/18/1046987418.db2.gz MVYVINXXNUMTJB-HNNXBMFYSA-N 0 0 344.213 4.315 20 10 EICDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)C[C@@H]2c2cccnc2)c1O ZINC000805750836 1047004050 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CCN(C)C(=O)c1cccc(N[C@H](C)c2cc(Cl)ccc2O)c1 ZINC000806169325 1047155320 /nfs/dbraw/zinc/15/53/20/1047155320.db2.gz DLVBEGOJNNSOIE-GFCCVEGCSA-N 0 0 332.831 4.311 20 10 EICDRN COc1cc(NNC(=S)Nc2ccc(C)c(F)c2)ccc1Cl ZINC000788339313 1047163220 /nfs/dbraw/zinc/16/32/20/1047163220.db2.gz XIUBSLFNXCXYSN-UHFFFAOYSA-N 0 0 339.823 4.110 20 10 EICDRN CC[C@H]([NH2+][C@@H](COC)Cc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806141267 1047167663 /nfs/dbraw/zinc/16/76/63/1047167663.db2.gz HJMYRTXLUZTPPZ-QAPCUYQASA-N 0 0 333.859 4.344 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1cccc(Cl)c1[O-] ZINC000806141209 1047167798 /nfs/dbraw/zinc/16/77/98/1047167798.db2.gz QHHWIYABQUSCCJ-GOPGUHFVSA-N 0 0 337.822 4.348 20 10 EICDRN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1cccc(Cl)c1[O-] ZINC000806147021 1047170172 /nfs/dbraw/zinc/17/01/72/1047170172.db2.gz SISWJZUYCBNWCE-JKSUJKDBSA-N 0 0 340.250 4.473 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1cccc(Cl)c1[O-] ZINC000806150077 1047173023 /nfs/dbraw/zinc/17/30/23/1047173023.db2.gz KTHRVBKQTFGVKB-NHIYQJMISA-N 0 0 343.945 4.466 20 10 EICDRN CC[C@H]([NH2+]Cc1nnc(C)s1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157278 1047182019 /nfs/dbraw/zinc/18/20/19/1047182019.db2.gz DAUPVFZMHPHESK-NSHDSACASA-N 0 0 332.256 4.100 20 10 EICDRN CC[C@@H]([NH2+][C@H](CCOC)Cc1ccco1)c1cccc(Cl)c1[O-] ZINC000806159215 1047183122 /nfs/dbraw/zinc/18/31/22/1047183122.db2.gz ZVPZHDXUGWNXTI-CXAGYDPISA-N 0 0 337.847 4.327 20 10 EICDRN CC[C@@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1cccc(Cl)c1[O-] ZINC000806161685 1047184326 /nfs/dbraw/zinc/18/43/26/1047184326.db2.gz MANNKTXBHKYQKU-GOEBONIOSA-N 0 0 335.879 4.260 20 10 EICDRN CC[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1[O-] ZINC000806181003 1047204676 /nfs/dbraw/zinc/20/46/76/1047204676.db2.gz VAFJMQRBPGNCGI-CXAGYDPISA-N 0 0 337.822 4.002 20 10 EICDRN Cc1cc(C(=O)NCCCOC(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000917910834 1047211853 /nfs/dbraw/zinc/21/18/53/1047211853.db2.gz SRJICSDAUOGYAL-UHFFFAOYSA-N 0 0 348.874 4.292 20 10 EICDRN CC(C)[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@@H](O)c1ccccc1 ZINC000788541351 1047218371 /nfs/dbraw/zinc/21/83/71/1047218371.db2.gz WAUXPMJETVUJRB-MSOLQXFVSA-N 0 0 337.822 4.033 20 10 EICDRN CC(C)[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000788541354 1047218947 /nfs/dbraw/zinc/21/89/47/1047218947.db2.gz WAUXPMJETVUJRB-ZWKOTPCHSA-N 0 0 337.822 4.033 20 10 EICDRN Cc1cc(C(=O)OCc2nccs2)c(C)n1-c1ccc(F)cc1 ZINC000917953510 1047231468 /nfs/dbraw/zinc/23/14/68/1047231468.db2.gz YMSGVIXVIFQIHB-UHFFFAOYSA-N 0 0 330.384 4.047 20 10 EICDRN C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000788615167 1047250322 /nfs/dbraw/zinc/25/03/22/1047250322.db2.gz WBIVWGWWPFGKKD-HZPDHXFCSA-N 0 0 328.431 4.099 20 10 EICDRN COc1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cc1F ZINC000788652571 1047257594 /nfs/dbraw/zinc/25/75/94/1047257594.db2.gz RNRSDHVXAAKMDP-JTQLQIEISA-N 0 0 343.320 4.410 20 10 EICDRN C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788642754 1047259079 /nfs/dbraw/zinc/25/90/79/1047259079.db2.gz DDHCLEFLGGZNHR-RKDXNWHRSA-N 0 0 345.283 4.029 20 10 EICDRN Cc1ccc([C@H](C)N(C)C(=O)NCCCSc2nccs2)cc1 ZINC000154606646 1047261126 /nfs/dbraw/zinc/26/11/26/1047261126.db2.gz GQZQQAKXSYOSHN-AWEZNQCLSA-N 0 0 349.525 4.336 20 10 EICDRN CCCn1c2cc(F)ccc2nc1-c1ccc(N2CCOCC2)cc1 ZINC000788688484 1047262269 /nfs/dbraw/zinc/26/22/69/1047262269.db2.gz PUQHYXNIRONKCS-UHFFFAOYSA-N 0 0 339.414 4.089 20 10 EICDRN C[C@H](CCO)C1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CCC1 ZINC000788693376 1047265671 /nfs/dbraw/zinc/26/56/71/1047265671.db2.gz SQWNKNICBLUZOF-OLZOCXBDSA-N 0 0 345.405 4.250 20 10 EICDRN COC(=O)N(C)Cc1ccc(N[C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788705142 1047272170 /nfs/dbraw/zinc/27/21/70/1047272170.db2.gz OPXICIVGBKMHDD-OAHLLOKOSA-N 0 0 342.439 4.380 20 10 EICDRN C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1cccc(C(F)(F)F)c1[O-] ZINC000788752444 1047286404 /nfs/dbraw/zinc/28/64/04/1047286404.db2.gz WADSEOYEEDLTGF-NSHDSACASA-N 0 0 349.356 4.149 20 10 EICDRN CCn1c2ccc(F)cc2nc1/C(Cl)=C/c1cn(C(C)C)nn1 ZINC000806572071 1047314122 /nfs/dbraw/zinc/31/41/22/1047314122.db2.gz VARUMVKAPKHWQU-JYRVWZFOSA-N 0 0 333.798 4.105 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(C)cc2OC)cc1 ZINC000918082304 1047314579 /nfs/dbraw/zinc/31/45/79/1047314579.db2.gz RWTNFEGEZVXAMU-UHFFFAOYSA-N 0 0 341.455 4.172 20 10 EICDRN CCO[C@H](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000760321712 1047316732 /nfs/dbraw/zinc/31/67/32/1047316732.db2.gz SSMGMPNTVFSZSF-HXUWFJFHSA-N 0 0 346.515 4.087 20 10 EICDRN CC[C@@H](C)[C@H](C)N(C(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000746767496 1047319014 /nfs/dbraw/zinc/31/90/14/1047319014.db2.gz WYZQKPXNJCQDQS-ZBFHGGJFSA-N 0 0 331.504 4.170 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)NCC(F)(F)c1ccccc1 ZINC000788850296 1047324733 /nfs/dbraw/zinc/32/47/33/1047324733.db2.gz KBSSLSADDQVFIJ-UHFFFAOYSA-N 0 0 348.393 4.106 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)c2cc(SC)ccc2C)cc1 ZINC000918113042 1047326665 /nfs/dbraw/zinc/32/66/65/1047326665.db2.gz 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C[C@@H]1CCC[C@H](C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)C1 ZINC001184501809 1052032935 /nfs/dbraw/zinc/03/29/35/1052032935.db2.gz BLWRTYJOWBFNBZ-QKGGMHGDSA-N 0 0 337.427 4.432 20 10 EICDRN O=C(c1ccccc1)c1ccccc1Nc1ccc2c(c1)CC(=O)N2 ZINC001176427733 1052050342 /nfs/dbraw/zinc/05/03/42/1052050342.db2.gz CFGYCUJOLOPOSF-UHFFFAOYSA-N 0 0 328.371 4.156 20 10 EICDRN Nc1ccc(Cc2ccccc2Nc2ccc3c(c2)CC(=O)N3)cc1 ZINC001176430553 1052053369 /nfs/dbraw/zinc/05/33/69/1052053369.db2.gz KQQKAKPRANXRGL-UHFFFAOYSA-N 0 0 329.403 4.098 20 10 EICDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC(C)C)c(OC)c2)c1 ZINC000184621495 1052116056 /nfs/dbraw/zinc/11/60/56/1052116056.db2.gz RZIZMBKSAHDRAM-ZDUSSCGKSA-N 0 0 331.412 4.370 20 10 EICDRN CC(C)(CC(=O)NCc1cccc(O)c1O)Cc1ccc(Cl)cc1 ZINC001176566318 1052132813 /nfs/dbraw/zinc/13/28/13/1052132813.db2.gz VTKVSHLZCGSKNG-UHFFFAOYSA-N 0 0 347.842 4.026 20 10 EICDRN CCOc1ccc(CNc2cnn(CC(C)C)c2C(C)C)c(O)c1 ZINC000774828238 1052165967 /nfs/dbraw/zinc/16/59/67/1052165967.db2.gz TUMDHYWGONASRO-UHFFFAOYSA-N 0 0 331.460 4.379 20 10 EICDRN Cc1c(NCc2ccc(N3CCCCC3)cc2)cnn1CC(C)C ZINC000774824075 1052174654 /nfs/dbraw/zinc/17/46/54/1052174654.db2.gz SLNZUKMPGDCYNI-UHFFFAOYSA-N 0 0 326.488 4.450 20 10 EICDRN CCC(C)(C)C1CCC2(C[C@@H]2C(=O)NCc2cc(O)ccc2O)CC1 ZINC001176754768 1052191593 /nfs/dbraw/zinc/19/15/93/1052191593.db2.gz GZTDUVSPYJMSHU-FIWNRLKKSA-N 0 0 345.483 4.347 20 10 EICDRN O=[N+]([O-])c1c(NCCCSc2nccs2)ccc2cnccc21 ZINC001185273194 1052207615 /nfs/dbraw/zinc/20/76/15/1052207615.db2.gz OWHIHDAOMWJTCW-UHFFFAOYSA-N 0 0 346.437 4.194 20 10 EICDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCc3ccccc3C2)c1[O-] ZINC001176908245 1052209681 /nfs/dbraw/zinc/20/96/81/1052209681.db2.gz BRGMXVSGAILCIY-SFHVURJKSA-N 0 0 343.854 4.238 20 10 EICDRN CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000184896367 1052296858 /nfs/dbraw/zinc/29/68/58/1052296858.db2.gz GPQRLCBKMNZICI-RNODOKPDSA-N 0 0 345.414 4.350 20 10 EICDRN CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(F)cc1[O-])O[C@H](C)C2 ZINC000184897919 1052297915 /nfs/dbraw/zinc/29/79/15/1052297915.db2.gz STXPLNFDPSDEHP-CHWSQXEVSA-N 0 0 345.414 4.104 20 10 EICDRN CCc1cc(Cl)nnc1NCc1cc(Cl)c2cccnc2c1O ZINC001168528300 1052616010 /nfs/dbraw/zinc/61/60/10/1052616010.db2.gz SKDCHHGWBVPCBN-UHFFFAOYSA-N 0 0 349.221 4.212 20 10 EICDRN C[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccc(F)cc1[O-] ZINC000185720681 1052685717 /nfs/dbraw/zinc/68/57/17/1052685717.db2.gz GFCLKIXKVPINPX-ZBEGNZNMSA-N 0 0 331.412 4.130 20 10 EICDRN COc1cc(CNc2ccc(NC(C)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000850043509 1053062395 /nfs/dbraw/zinc/06/23/95/1053062395.db2.gz ACWIULGFONUXQS-UHFFFAOYSA-N 0 0 342.439 4.269 20 10 EICDRN COc1ccsc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000764412923 1053096343 /nfs/dbraw/zinc/09/63/43/1053096343.db2.gz GXZNLLVJCHHUJC-NTEUORMPSA-N 0 0 347.486 4.158 20 10 EICDRN COc1ccc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cc1F ZINC000007367245 1053121438 /nfs/dbraw/zinc/12/14/38/1053121438.db2.gz BEQBDVXVEDMMHU-YBEGLDIGSA-N 0 0 342.395 4.225 20 10 EICDRN CCc1ccccc1NC(=S)N(C)Cc1ccc(N(C)C)cc1 ZINC000007381135 1053128045 /nfs/dbraw/zinc/12/80/45/1053128045.db2.gz IDFFGCDOGPDKPO-UHFFFAOYSA-N 0 0 327.497 4.144 20 10 EICDRN COc1cc(Cl)cc(CNc2cccc3c2ccnc3OC)c1O ZINC000864015695 1053140406 /nfs/dbraw/zinc/14/04/06/1053140406.db2.gz SKRWMORAIRBFOQ-UHFFFAOYSA-N 0 0 344.798 4.223 20 10 EICDRN Cc1cc(Cl)cc([C@H](C)Nc2cccc(-n3nccn3)c2)c1O ZINC000864023215 1053159189 /nfs/dbraw/zinc/15/91/89/1053159189.db2.gz PUCURWRWJVJDIR-LBPRGKRZSA-N 0 0 328.803 4.108 20 10 EICDRN Cc1ccc(N2CCC[N@H+](Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC000775634795 1053260066 /nfs/dbraw/zinc/26/00/66/1053260066.db2.gz YKVFWEVCQANVOR-UHFFFAOYSA-N 0 0 330.859 4.066 20 10 EICDRN C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])c1cscn1 ZINC000850511440 1053270362 /nfs/dbraw/zinc/27/03/62/1053270362.db2.gz FBTRHYVCYFQBEV-HTQZYQBOSA-N 0 0 345.237 4.162 20 10 EICDRN CC[C@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1cccc(Cl)c1[O-] ZINC000850513614 1053274157 /nfs/dbraw/zinc/27/41/57/1053274157.db2.gz HPKQWAUCMZVPGW-ZWKOTPCHSA-N 0 0 349.858 4.483 20 10 EICDRN C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775643332 1053305692 /nfs/dbraw/zinc/30/56/92/1053305692.db2.gz UTSIALPBDPDMJX-UHFFFAOYSA-N 0 0 345.748 4.418 20 10 EICDRN CC[C@H]([NH2+]CCc1cncc(C)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850551260 1053305689 /nfs/dbraw/zinc/30/56/89/1053305689.db2.gz UHHUXRFKAAVGFK-HNNXBMFYSA-N 0 0 340.254 4.081 20 10 EICDRN COc1cccc([C@H](C)Nc2ccc(OC(F)F)c(OC)c2)c1O ZINC000850560594 1053313807 /nfs/dbraw/zinc/31/38/07/1053313807.db2.gz GCSWIROBNISXEH-JTQLQIEISA-N 0 0 339.338 4.184 20 10 EICDRN CCN(C)c1ccc([C@@H](C)N[C@H](c2nccn2C)c2ccccc2)cc1 ZINC000764811204 1053322007 /nfs/dbraw/zinc/32/20/07/1053322007.db2.gz XHJLZKWYBIBIGD-UTKZUKDTSA-N 0 0 348.494 4.316 20 10 EICDRN CCN(C)c1ccc([C@@H](C)N[C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000764811198 1053323197 /nfs/dbraw/zinc/32/31/97/1053323197.db2.gz XHJLZKWYBIBIGD-DYESRHJHSA-N 0 0 348.494 4.316 20 10 EICDRN Cc1cc(Cl)ccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000764841949 1053335031 /nfs/dbraw/zinc/33/50/31/1053335031.db2.gz WHCYXUOAHBWKLP-UHFFFAOYSA-N 0 0 328.843 4.179 20 10 EICDRN COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])c(OC)c1 ZINC000775646960 1053344184 /nfs/dbraw/zinc/34/41/84/1053344184.db2.gz NFODRPKMMVNXLU-QGZVFWFLSA-N 0 0 347.842 4.400 20 10 EICDRN Cc1c(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)cnn1C ZINC001195255748 1053348714 /nfs/dbraw/zinc/34/87/14/1053348714.db2.gz SMJOGSAALNXBHI-QURGRASLSA-N 0 0 335.367 4.102 20 10 EICDRN O=C(c1ccccc1NN=C1C=CC(=O)C=C1)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001195262233 1053351307 /nfs/dbraw/zinc/35/13/07/1053351307.db2.gz NEDPCZXEFGIMNK-ULRJEOKISA-N 0 0 339.370 4.238 20 10 EICDRN Cc1ncn(C)c1NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195262253 1053351640 /nfs/dbraw/zinc/35/16/40/1053351640.db2.gz NWDQNXHRKXMEBH-QURGRASLSA-N 0 0 335.367 4.102 20 10 EICDRN Cc1ncc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)nc1C ZINC001195263211 1053351705 /nfs/dbraw/zinc/35/17/05/1053351705.db2.gz YMJIYPXBBNMUFG-WCWDXBQESA-N 0 0 347.378 4.467 20 10 EICDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(N)c(C)c1 ZINC000850772415 1053355188 /nfs/dbraw/zinc/35/51/88/1053355188.db2.gz UCHQDSZZDJXTLE-UHFFFAOYSA-N 0 0 327.428 4.117 20 10 EICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cn2c(cccc2C)n1 ZINC001195321819 1053358930 /nfs/dbraw/zinc/35/89/30/1053358930.db2.gz ASUMDBZTINXPOU-SFHVURJKSA-N 0 0 349.478 4.486 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(c2cccc(C)c2)CC1 ZINC000764896377 1053361029 /nfs/dbraw/zinc/36/10/29/1053361029.db2.gz ZCWFMOSYQBKMES-UHFFFAOYSA-N 0 0 336.479 4.141 20 10 EICDRN CCCNC(=O)c1cccc(N[C@@H](CC)c2ccc(C)cc2O)c1 ZINC000794813331 1053420479 /nfs/dbraw/zinc/42/04/79/1053420479.db2.gz OZPYVPBFGKRANQ-SFHVURJKSA-N 0 0 326.440 4.404 20 10 EICDRN CC[C@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(C)cc1O ZINC000794816113 1053425245 /nfs/dbraw/zinc/42/52/45/1053425245.db2.gz KKLAZVZDMSLBSB-UZLBHIALSA-N 0 0 340.467 4.489 20 10 EICDRN COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000794824133 1053437554 /nfs/dbraw/zinc/43/75/54/1053437554.db2.gz IFOTZQIDEKMJHY-YJBOKZPZSA-N 0 0 331.431 4.220 20 10 EICDRN COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000794824128 1053438307 /nfs/dbraw/zinc/43/83/07/1053438307.db2.gz IFOTZQIDEKMJHY-MAUKXSAKSA-N 0 0 331.431 4.220 20 10 EICDRN Cc1ccc(C)n1C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775667198 1053451105 /nfs/dbraw/zinc/45/11/05/1053451105.db2.gz FJKNYSDVHISSKZ-UHFFFAOYSA-N 0 0 336.838 4.440 20 10 EICDRN CCC[N@H+](Cc1cccc(Cl)c1[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000775668282 1053457022 /nfs/dbraw/zinc/45/70/22/1053457022.db2.gz VXHNPLJHMOSKMD-CQSZACIVSA-N 0 0 346.858 4.285 20 10 EICDRN O=C(NC1CC1)c1cccc(NCc2ccc(N3CCCCC3)cc2)c1 ZINC000120471823 1053457848 /nfs/dbraw/zinc/45/78/48/1053457848.db2.gz PBPUGHOIYUWWTQ-UHFFFAOYSA-N 0 0 349.478 4.181 20 10 EICDRN COc1ccc(O)c(CNC(=O)C/C=C/c2ccc(C(C)C)cc2)c1 ZINC000765175980 1053460070 /nfs/dbraw/zinc/46/00/70/1053460070.db2.gz HAVRMMOBUHBRNF-SNAWJCMRSA-N 0 0 339.435 4.244 20 10 EICDRN COc1ccc(O)c(CNC(=O)C/C=C\c2ccc(C(C)C)cc2)c1 ZINC000765175977 1053460219 /nfs/dbraw/zinc/46/02/19/1053460219.db2.gz HAVRMMOBUHBRNF-PLNGDYQASA-N 0 0 339.435 4.244 20 10 EICDRN CC[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000794836664 1053473705 /nfs/dbraw/zinc/47/37/05/1053473705.db2.gz VQMDQRWEUCWHBW-SMDDNHRTSA-N 0 0 332.271 4.291 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000775669849 1053476981 /nfs/dbraw/zinc/47/69/81/1053476981.db2.gz RDQMDNHSOCLVOF-HKUYNNGSSA-N 0 0 349.833 4.273 20 10 EICDRN CCCCN(CC)c1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000110224583 1053522089 /nfs/dbraw/zinc/52/20/89/1053522089.db2.gz WMTZKCAVUIFHOB-UHFFFAOYSA-N 0 0 340.467 4.291 20 10 EICDRN COc1ccc(N(Cc2nnc(C(F)(F)F)s2)CC(C)C)cc1 ZINC000851830340 1053523846 /nfs/dbraw/zinc/52/38/46/1053523846.db2.gz RVBAVGCWXWKVKK-UHFFFAOYSA-N 0 0 345.390 4.228 20 10 EICDRN COc1ccc(N(Cc2ccco2)Cc2cc(C3CC3)no2)cc1F ZINC000851849842 1053525739 /nfs/dbraw/zinc/52/57/39/1053525739.db2.gz YELNMYSQPSYJNO-UHFFFAOYSA-N 0 0 342.370 4.500 20 10 EICDRN Cc1[nH]c2ccccc2c1C1=CCN(c2ccc([C@H](C)O)cn2)CC1 ZINC000865632331 1053562350 /nfs/dbraw/zinc/56/23/50/1053562350.db2.gz NIQRJXQNJSAYRY-HNNXBMFYSA-N 0 0 333.435 4.218 20 10 EICDRN CN(C)c1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)cc1F ZINC000765473122 1053562504 /nfs/dbraw/zinc/56/25/04/1053562504.db2.gz CEXKULGIHRMTOC-GOSISDBHSA-N 0 0 330.472 4.012 20 10 EICDRN C[C@@H](NC(=O)N1CC[C@@H]1c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000852260874 1053564566 /nfs/dbraw/zinc/56/45/66/1053564566.db2.gz FNDDLKNPHGVSQV-AUUYWEPGSA-N 0 0 341.430 4.109 20 10 EICDRN Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])s1 ZINC000775685489 1053564667 /nfs/dbraw/zinc/56/46/67/1053564667.db2.gz OMJMFUHEEUQDTH-VIFPVBQESA-N 0 0 328.840 4.451 20 10 EICDRN Cc1ccc(Cl)c(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000120900757 1053638885 /nfs/dbraw/zinc/63/88/85/1053638885.db2.gz ZIFLUQSVKZOTKH-UHFFFAOYSA-N 0 0 341.842 4.346 20 10 EICDRN C[C@@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1ccc(F)cc1[O-] ZINC000853240826 1053658170 /nfs/dbraw/zinc/65/81/70/1053658170.db2.gz ILWWYGZRUKLSFB-DYVFJYSZSA-N 0 0 337.398 4.055 20 10 EICDRN COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(C)C)cc1F ZINC000111215267 1053663617 /nfs/dbraw/zinc/66/36/17/1053663617.db2.gz ASAGUIBQKLIDRL-UHFFFAOYSA-N 0 0 340.398 4.091 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000775717299 1053671284 /nfs/dbraw/zinc/67/12/84/1053671284.db2.gz ARKZTJFLLWZBEO-OAHLLOKOSA-N 0 0 327.827 4.108 20 10 EICDRN O=C(NCc1ccc(N2CCCC2)cc1)N(CCC1CC1)CC1CC1 ZINC000853411503 1053674155 /nfs/dbraw/zinc/67/41/55/1053674155.db2.gz IKUKYSJEQUQKDO-UHFFFAOYSA-N 0 0 341.499 4.009 20 10 EICDRN CC(C)(C)c1cc(N2CC=C(c3ccc(Cl)nc3)CC2)ncn1 ZINC000853468579 1053678887 /nfs/dbraw/zinc/67/88/87/1053678887.db2.gz ZLVFYSLKKIOYJG-UHFFFAOYSA-N 0 0 328.847 4.116 20 10 EICDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1 ZINC001196459875 1053684906 /nfs/dbraw/zinc/68/49/06/1053684906.db2.gz JMEZOKPQAAECBS-UHFFFAOYSA-N 0 0 338.329 4.350 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(F)cc1[O-] ZINC000866485182 1053750570 /nfs/dbraw/zinc/75/05/70/1053750570.db2.gz GSBBIWPLDUZSBS-HZMBPMFUSA-N 0 0 330.359 4.180 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cccc(OC)c1OC ZINC000866508443 1053759333 /nfs/dbraw/zinc/75/93/33/1053759333.db2.gz NNNBZLZMKSNMGJ-LRDDRELGSA-N 0 0 333.403 4.350 20 10 EICDRN COc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2[O-])cc1 ZINC000112017907 1053782371 /nfs/dbraw/zinc/78/23/71/1053782371.db2.gz JZKHRVKQOXHLCX-LLVKDONJSA-N 0 0 336.229 4.014 20 10 EICDRN CCOc1ccc(N(Cc2cn3c(cccc3C)n2)CC2CC2)cc1 ZINC001196953621 1053813324 /nfs/dbraw/zinc/81/33/24/1053813324.db2.gz YOQNRNNZMONMBT-UHFFFAOYSA-N 0 0 335.451 4.458 20 10 EICDRN CC[C@@H](NCc1nc(C)c2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000765639365 1053829226 /nfs/dbraw/zinc/82/92/26/1053829226.db2.gz YALPXMUTXABZMS-LJQANCHMSA-N 0 0 334.467 4.245 20 10 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C[C@H](Sc1ccccc1Cl)C(=O)NCc1ccc(N(C)C)cc1 ZINC000916731617 1046344258 /nfs/dbraw/zinc/34/42/58/1046344258.db2.gz ZXKRPXVSTWGHED-ZDUSSCGKSA-N 0 0 348.899 4.203 20 10 EICDRN CC(C)Sc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000916731602 1046345033 /nfs/dbraw/zinc/34/50/33/1046345033.db2.gz YUWUCLBECBQDQY-UHFFFAOYSA-N 0 0 328.481 4.183 20 10 EICDRN COc1ccc(CNC(=O)C(C)(C)CCCc2ccccc2)c(O)c1 ZINC000794379908 1046406382 /nfs/dbraw/zinc/40/63/82/1046406382.db2.gz ZNGCPOSBMVMXCX-UHFFFAOYSA-N 0 0 341.451 4.066 20 10 EICDRN CCC(=O)c1ccc(OC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000916853509 1046410654 /nfs/dbraw/zinc/41/06/54/1046410654.db2.gz UKPOJCYMTMUVIA-UHFFFAOYSA-N 0 0 348.402 4.301 20 10 EICDRN CC(C)(C)c1ncc(NCc2cc(Cl)c3cccnc3c2O)cn1 ZINC001168522302 1046433914 /nfs/dbraw/zinc/43/39/14/1046433914.db2.gz FLAZBLKMDISXJF-UHFFFAOYSA-N 0 0 342.830 4.293 20 10 EICDRN Cc1ccc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000746511770 1046476095 /nfs/dbraw/zinc/47/60/95/1046476095.db2.gz CPKUAZLNCDADBA-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/65/14/29/1046651429.db2.gz YYXPGZGKUIZODL-YFHOEESVSA-N 0 0 335.432 4.190 20 10 EICDRN COc1ccc2c(c1)CCCN2Cc1cnc(-c2ccccc2)nc1 ZINC000917078012 1046661893 /nfs/dbraw/zinc/66/18/93/1046661893.db2.gz VZKCWSVQZLXIEZ-UHFFFAOYSA-N 0 0 331.419 4.105 20 10 EICDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc(C2CC2)c1 ZINC001129820047 1046741000 /nfs/dbraw/zinc/74/10/00/1046741000.db2.gz QLPATJLOKFRSFI-INIZCTEOSA-N 0 0 336.479 4.299 20 10 EICDRN Cc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cn1 ZINC000154299361 1046795729 /nfs/dbraw/zinc/79/57/29/1046795729.db2.gz RLDJFDGYNQIUNF-OQLLNIDSSA-N 0 0 326.446 4.104 20 10 EICDRN Oc1ccc(Br)cc1CNc1ccc2ccccc2n1 ZINC000804827001 1046817753 /nfs/dbraw/zinc/81/77/53/1046817753.db2.gz JCGWPEBHROCIAA-UHFFFAOYSA-N 0 0 329.197 4.315 20 10 EICDRN Oc1ccc(Br)cc1CNc1nccc2sccc21 ZINC000804828630 1046818575 /nfs/dbraw/zinc/81/85/75/1046818575.db2.gz UMPCLXDEMCUQHJ-UHFFFAOYSA-N 0 0 335.226 4.377 20 10 EICDRN Cc1ccc(CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C2CC2)o1 ZINC000917343208 1046846698 /nfs/dbraw/zinc/84/66/98/1046846698.db2.gz QMKNXKHUNMPUFQ-UHFFFAOYSA-N 0 0 349.434 4.195 20 10 EICDRN CCN(Cc1ccncc1)C(=O)c1sccc1-n1c(C)ccc1C ZINC000917392508 1046859714 /nfs/dbraw/zinc/85/97/14/1046859714.db2.gz DBLHRRMOOUJYNJ-UHFFFAOYSA-N 0 0 339.464 4.213 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nnc(C2CC2)s1 ZINC000917418033 1046867941 /nfs/dbraw/zinc/86/79/41/1046867941.db2.gz VSLYTFXRYLWQSV-UHFFFAOYSA-N 0 0 344.465 4.137 20 10 EICDRN CC(C)[C@@H](CNC(=O)N(C)Cc1ccccc1O)Cc1ccccc1 ZINC000786895248 1046878525 /nfs/dbraw/zinc/87/85/25/1046878525.db2.gz LPCVMKNGCQESIM-LJQANCHMSA-N 0 0 340.467 4.049 20 10 EICDRN CCCCCC(C)(C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001130185473 1046896993 /nfs/dbraw/zinc/89/69/93/1046896993.db2.gz IZYIXAWQOLVJBP-KRWDZBQOSA-N 0 0 346.515 4.244 20 10 EICDRN COc1ccc(N(Cc2ccccc2)C[C@@H](O)CC(F)(F)F)cc1 ZINC000787262382 1046971442 /nfs/dbraw/zinc/97/14/42/1046971442.db2.gz OCCKVIWUEUQRGP-INIZCTEOSA-N 0 0 339.357 4.015 20 10 EICDRN CN(C[C@H](O)CC(F)(F)F)c1ccc(OCc2ccccc2)cc1 ZINC000787310992 1046989236 /nfs/dbraw/zinc/98/92/36/1046989236.db2.gz JGMRJPVKSQYLRE-MRXNPFEDSA-N 0 0 339.357 4.015 20 10 EICDRN Cc1cc(Br)cc(CN[C@@H](C(C)C)C(F)(F)F)c1O ZINC000787438554 1047008929 /nfs/dbraw/zinc/00/89/29/1047008929.db2.gz BVONHDXEZRHDFX-LBPRGKRZSA-N 0 0 340.183 4.140 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)N[C@H]1CCCC[C@@H]1C ZINC000917593273 1047014965 /nfs/dbraw/zinc/01/49/65/1047014965.db2.gz MIPBRXDDUDWSLW-LPHOPBHVSA-N 0 0 347.572 4.416 20 10 EICDRN CN(C)c1ccc(CN(C(=S)Nc2ccc(F)cc2)C2CC2)cc1 ZINC000917595083 1047016665 /nfs/dbraw/zinc/01/66/65/1047016665.db2.gz ZAPLLTIRBOKVOF-UHFFFAOYSA-N 0 0 343.471 4.253 20 10 EICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCC(C)(C)O ZINC000787494339 1047018328 /nfs/dbraw/zinc/01/83/28/1047018328.db2.gz OZHGPORMYFKHJH-INIZCTEOSA-N 0 0 341.451 4.033 20 10 EICDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1ccc(Cl)c(Cl)c1 ZINC000746687699 1047019923 /nfs/dbraw/zinc/01/99/23/1047019923.db2.gz VORHCWIBGHMPIF-NSHDSACASA-N 0 0 338.234 4.461 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)C=C(C2CC2)C2CC2)cc1 ZINC000917627888 1047032860 /nfs/dbraw/zinc/03/28/60/1047032860.db2.gz KKMLZMRTBYKABQ-UHFFFAOYSA-N 0 0 326.484 4.238 20 10 EICDRN Cc1cc(CCNC(=O)c2ccc(C)nc2C)c(C)n1-c1ccccc1 ZINC000917628001 1047033722 /nfs/dbraw/zinc/03/37/22/1047033722.db2.gz QMWNNTSUGZQNHO-UHFFFAOYSA-N 0 0 347.462 4.078 20 10 EICDRN C/C(=C\C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917645634 1047045836 /nfs/dbraw/zinc/04/58/36/1047045836.db2.gz OLLVRVWOTPRIAP-DTQAZKPQSA-N 0 0 338.451 4.231 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2n1C ZINC000917648136 1047047645 /nfs/dbraw/zinc/04/76/45/1047047645.db2.gz SGJTYJRDTPMYMD-UHFFFAOYSA-N 0 0 349.478 4.295 20 10 EICDRN O=C(/C=C\c1ccc(O)c(O)c1)OC/C=C/c1ccc(Cl)cc1 ZINC000787747095 1047049368 /nfs/dbraw/zinc/04/93/68/1047049368.db2.gz FOMHATGMJJHTDR-KEOKBJEMSA-N 0 0 330.767 4.021 20 10 EICDRN Cc1ccncc1/C=C/C(=O)N1CCCSc2ccc(F)cc21 ZINC000787986535 1047086656 /nfs/dbraw/zinc/08/66/56/1047086656.db2.gz FMKXZCJCZYSVSD-ZZXKWVIFSA-N 0 0 328.412 4.071 20 10 EICDRN CC[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cccc(Cl)c1[O-] ZINC000806132861 1047124136 /nfs/dbraw/zinc/12/41/36/1047124136.db2.gz BSWNVNJXZRQOEM-GUYCJALGSA-N 0 0 331.843 4.338 20 10 EICDRN CC[C@H]([NH2+]CCCc1nc(C(C)C)no1)c1cccc(Cl)c1[O-] ZINC000806136515 1047132026 /nfs/dbraw/zinc/13/20/26/1047132026.db2.gz DQMXXSTXMNZFEV-AWEZNQCLSA-N 0 0 337.851 4.226 20 10 EICDRN CC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139455 1047132557 /nfs/dbraw/zinc/13/25/57/1047132557.db2.gz ASUKPLXDARAOGE-WBIUFABUSA-N 0 0 331.287 4.222 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cccc(Cl)c1[O-] ZINC000806135681 1047132731 /nfs/dbraw/zinc/13/27/31/1047132731.db2.gz VKGXANRXXSFPQW-GOSISDBHSA-N 0 0 341.842 4.472 20 10 EICDRN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806134447 1047132786 /nfs/dbraw/zinc/13/27/86/1047132786.db2.gz KUXRSLDJYBKKIK-YGRLFVJLSA-N 0 0 347.286 4.045 20 10 EICDRN Cc1cc(C(=O)N2CCC[C@H]2c2cc[nH]n2)c(C)n1-c1ccccc1C ZINC000788236176 1047149802 /nfs/dbraw/zinc/14/98/02/1047149802.db2.gz DEMMLLOBYUMSNX-FQEVSTJZSA-N 0 0 348.450 4.103 20 10 EICDRN CC[C@@H]([NH2+]CCc1cccnc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129883 1047150295 /nfs/dbraw/zinc/15/02/95/1047150295.db2.gz LPTDZMOBHJYTCK-OAHLLOKOSA-N 0 0 325.239 4.377 20 10 EICDRN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806128402 1047151231 /nfs/dbraw/zinc/15/12/31/1047151231.db2.gz KJSPMEDYODWSHA-JKSUJKDBSA-N 0 0 340.250 4.473 20 10 EICDRN CC[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cccc(Cl)c1[O-] ZINC000806128211 1047152873 /nfs/dbraw/zinc/15/28/73/1047152873.db2.gz HVQWHQGTRGLLTG-HUUCEWRRSA-N 0 0 338.904 4.451 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806130727 1047154904 /nfs/dbraw/zinc/15/49/04/1047154904.db2.gz CZGXCNICNANEBS-CABCVRRESA-N 0 0 331.287 4.080 20 10 EICDRN CC[C@H]([NH2+]CCc1cccc(OC)c1OC)c1cccc(Cl)c1[O-] ZINC000806131001 1047155468 /nfs/dbraw/zinc/15/54/68/1047155468.db2.gz GCFHPWDSMCQGJR-INIZCTEOSA-N 0 0 349.858 4.346 20 10 EICDRN CC[C@@H]([NH2+]Cc1cccnc1OC(C)C)c1cccc(Cl)c1[O-] ZINC000806130635 1047155642 /nfs/dbraw/zinc/15/56/42/1047155642.db2.gz ACJCXGRSYTXDAT-MRXNPFEDSA-N 0 0 334.847 4.469 20 10 EICDRN CC[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806140150 1047165967 /nfs/dbraw/zinc/16/59/67/1047165967.db2.gz UXXPODYETLNNAU-INIZCTEOSA-N 0 0 332.831 4.115 20 10 EICDRN CC[C@@H]([NH2+]CCNc1ccccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140779 1047166187 /nfs/dbraw/zinc/16/61/87/1047166187.db2.gz MMCHUPHHYPOJAD-CQSZACIVSA-N 0 0 340.254 4.247 20 10 EICDRN CC[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806144299 1047170711 /nfs/dbraw/zinc/17/07/11/1047170711.db2.gz USPMARYYIGNHNF-SJORKVTESA-N 0 0 325.880 4.418 20 10 EICDRN CC[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cccc(Cl)c1[O-] ZINC000806147012 1047171045 /nfs/dbraw/zinc/17/10/45/1047171045.db2.gz SISWJZUYCBNWCE-CVEARBPZSA-N 0 0 340.250 4.473 20 10 EICDRN CC[C@H]([NH2+]CC1(CCO)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148162 1047173127 /nfs/dbraw/zinc/17/31/27/1047173127.db2.gz CXPKMRYCKZPVNK-AWEZNQCLSA-N 0 0 332.271 4.292 20 10 EICDRN CC[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cccc(Cl)c1[O-] ZINC000806150491 1047175269 /nfs/dbraw/zinc/17/52/69/1047175269.db2.gz UKGBRQGSHFBERN-AEFFLSMTSA-N 0 0 337.822 4.133 20 10 EICDRN CC[C@H](Nc1cnn(Cc2ccncc2)c1)c1cccc(Cl)c1O ZINC000806153928 1047177432 /nfs/dbraw/zinc/17/74/32/1047177432.db2.gz BEXGPKDMUFFIKO-KRWDZBQOSA-N 0 0 342.830 4.249 20 10 EICDRN CC[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806157071 1047180254 /nfs/dbraw/zinc/18/02/54/1047180254.db2.gz BCCKSQYTFVXIKD-QAPCUYQASA-N 0 0 333.859 4.080 20 10 EICDRN CC[C@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1cccc(Cl)c1[O-] ZINC000806159217 1047182041 /nfs/dbraw/zinc/18/20/41/1047182041.db2.gz ZVPZHDXUGWNXTI-GUYCJALGSA-N 0 0 337.847 4.327 20 10 EICDRN CC[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806164354 1047189002 /nfs/dbraw/zinc/18/90/02/1047189002.db2.gz QZCLPOYNQBROTE-MAUKXSAKSA-N 0 0 333.859 4.080 20 10 EICDRN CCN(C)C(=O)c1cccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000806169157 1047190653 /nfs/dbraw/zinc/19/06/53/1047190653.db2.gz BQMURQZTVZLPIF-BLLLJJGKSA-N 0 0 342.414 4.284 20 10 EICDRN Cc1cc(Br)cc([C@@H](C)N[C@H]2CCCC2(F)F)c1O ZINC000806180353 1047191264 /nfs/dbraw/zinc/19/12/64/1047191264.db2.gz NEFLPDATDFFJOA-SKDRFNHKSA-N 0 0 334.204 4.302 20 10 EICDRN CCN(C)C(=O)c1cccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000806169160 1047191330 /nfs/dbraw/zinc/19/13/30/1047191330.db2.gz BQMURQZTVZLPIF-WBMJQRKESA-N 0 0 342.414 4.284 20 10 EICDRN C[C@H](N[C@H]1CCCC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000806180985 1047203278 /nfs/dbraw/zinc/20/32/78/1047203278.db2.gz UVKLWIKNPFPWPX-LRDDRELGSA-N 0 0 344.833 4.015 20 10 EICDRN C[C@H](Oc1ccc(C(=O)NCc2ccccc2O)cc1)c1ccccc1 ZINC000788515053 1047211306 /nfs/dbraw/zinc/21/13/06/1047211306.db2.gz CRWSDALXZURTHL-INIZCTEOSA-N 0 0 347.414 4.462 20 10 EICDRN CC(C)[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000788541352 1047217887 /nfs/dbraw/zinc/21/78/87/1047217887.db2.gz WAUXPMJETVUJRB-QZTJIDSGSA-N 0 0 337.822 4.033 20 10 EICDRN C[C@H]([NH2+]Cc1ccccc1N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788646753 1047247257 /nfs/dbraw/zinc/24/72/57/1047247257.db2.gz RNNMPUMRFBKFOF-LBPRGKRZSA-N 0 0 338.373 4.328 20 10 EICDRN C[C@@H]([NH2+]CCCOCC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000788646092 1047248849 /nfs/dbraw/zinc/24/88/49/1047248849.db2.gz JMVZLJVJWZGEQU-SECBINFHSA-N 0 0 345.283 4.031 20 10 EICDRN C[C@H](Nc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1O ZINC000788691831 1047262302 /nfs/dbraw/zinc/26/23/02/1047262302.db2.gz PJFFNWMMTNNCDG-VIFPVBQESA-N 0 0 325.286 4.313 20 10 EICDRN Cc1cc(C)c([C@H](C)Nc2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000788691686 1047262432 /nfs/dbraw/zinc/26/24/32/1047262432.db2.gz OBXSSPXSBTYZEN-INIZCTEOSA-N 0 0 326.440 4.019 20 10 EICDRN C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(C(F)(F)F)c1[O-] ZINC000788687057 1047263331 /nfs/dbraw/zinc/26/33/31/1047263331.db2.gz ARJFASSSGWZNSN-SECBINFHSA-N 0 0 330.737 4.310 20 10 EICDRN Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000788670118 1047268300 /nfs/dbraw/zinc/26/83/00/1047268300.db2.gz RQUCEJCZFOGYES-LRDDRELGSA-N 0 0 339.357 4.104 20 10 EICDRN Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788671670 1047269813 /nfs/dbraw/zinc/26/98/13/1047269813.db2.gz NAVLYFOBANJNRO-ZJUUUORDSA-N 0 0 342.361 4.470 20 10 EICDRN CCCNC(=O)c1cccc(N[C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000788724127 1047278114 /nfs/dbraw/zinc/27/81/14/1047278114.db2.gz CUEBQFVQKZWUBZ-HNNXBMFYSA-N 0 0 326.440 4.322 20 10 EICDRN CCCNC(=O)c1cccc(N[C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000788724128 1047279165 /nfs/dbraw/zinc/27/91/65/1047279165.db2.gz CUEBQFVQKZWUBZ-OAHLLOKOSA-N 0 0 326.440 4.322 20 10 EICDRN CCCc1ccccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746761210 1047287688 /nfs/dbraw/zinc/28/76/88/1047287688.db2.gz ATDJDPJPJPMORE-UHFFFAOYSA-N 0 0 329.419 4.166 20 10 EICDRN C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000788752908 1047288699 /nfs/dbraw/zinc/28/86/99/1047288699.db2.gz XPWHPVXDQBTUHZ-OLZOCXBDSA-N 0 0 331.378 4.411 20 10 EICDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCc3ccccc32)C2CC2)cc1 ZINC000918062600 1047311462 /nfs/dbraw/zinc/31/14/62/1047311462.db2.gz VCHVBBZYUXEGBE-NRFANRHFSA-N 0 0 349.478 4.114 20 10 EICDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCc3ccc(C)cc32)c1 ZINC000806660229 1047335043 /nfs/dbraw/zinc/33/50/43/1047335043.db2.gz AMJGUINOJWNBSW-LIRRHRJNSA-N 0 0 339.435 4.215 20 10 EICDRN C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1cc(Br)ccc1O ZINC000806662022 1047348294 /nfs/dbraw/zinc/34/82/94/1047348294.db2.gz HJVXGOQYVWSURV-KRTXAFLBSA-N 0 0 338.167 4.146 20 10 EICDRN Cc1cc(CC(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000747354784 1047363713 /nfs/dbraw/zinc/36/37/13/1047363713.db2.gz QUGFRFIQNZIUJC-UHFFFAOYSA-N 0 0 342.826 4.199 20 10 EICDRN CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000918208915 1047381626 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337.489 4.220 20 10 EICDRN CCn1c(C)nc([N+](=O)[O-])c1Sc1ncc(C(C)(C)C)s1 ZINC000807995361 1047569835 /nfs/dbraw/zinc/56/98/35/1047569835.db2.gz YOXCILDKLNRQAQ-UHFFFAOYSA-N 0 0 326.447 4.025 20 10 EICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000898215548 1047570240 /nfs/dbraw/zinc/57/02/40/1047570240.db2.gz NSDHETLFHALCSF-UHFFFAOYSA-N 0 0 329.749 4.440 20 10 EICDRN CCOC1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000918685864 1047585586 /nfs/dbraw/zinc/58/55/86/1047585586.db2.gz DALGRQBJSRBAKW-UHFFFAOYSA-N 0 0 340.467 4.044 20 10 EICDRN COc1cccc(CNc2ccc(C(F)(F)F)c(OC)c2)c1O ZINC000790484358 1047596901 /nfs/dbraw/zinc/59/69/01/1047596901.db2.gz ZIORJVXQTRQLHR-UHFFFAOYSA-N 0 0 327.302 4.040 20 10 EICDRN CC[C@H](C)[C@@H](C)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001136854975 1047854664 /nfs/dbraw/zinc/85/46/64/1047854664.db2.gz PXXKGHFRYSDYIE-DZGCQCFKSA-N 0 0 326.440 4.071 20 10 EICDRN CSC[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000814178940 1047868328 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O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1Cc1ccccc1 ZINC000814270659 1047927030 /nfs/dbraw/zinc/92/70/30/1047927030.db2.gz BPQIITRWHGQFMI-OQLLNIDSSA-N 0 0 347.411 4.366 20 10 EICDRN CCc1ccsc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000919691206 1047994301 /nfs/dbraw/zinc/99/43/01/1047994301.db2.gz AEXAECFKOUWLAO-UHFFFAOYSA-N 0 0 328.481 4.181 20 10 EICDRN COCc1ccccc1NCc1cc(Br)cc(C)c1O ZINC000824998707 1048006648 /nfs/dbraw/zinc/00/66/48/1048006648.db2.gz ZLJSRQGDAAXUMJ-UHFFFAOYSA-N 0 0 336.229 4.222 20 10 EICDRN CCNC(=O)c1ccc(C)c(NCc2cc(Cl)c(C)cc2O)c1 ZINC000824990070 1048016654 /nfs/dbraw/zinc/01/66/54/1048016654.db2.gz BTHIWGJTWPYEEA-UHFFFAOYSA-N 0 0 332.831 4.024 20 10 EICDRN Cc1cc(Cl)cc([C@H](C)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1O ZINC000808710121 1048056302 /nfs/dbraw/zinc/05/63/02/1048056302.db2.gz XTVYARXYTPLDMM-QWRGUYRKSA-N 0 0 346.814 4.247 20 10 EICDRN CCOCC(C)(C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000808725425 1048072981 /nfs/dbraw/zinc/07/29/81/1048072981.db2.gz RLFARAFIGVVZCN-JTQLQIEISA-N 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C[C@@H](CCO)N(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000844482537 1048347132 /nfs/dbraw/zinc/34/71/32/1048347132.db2.gz RLXRGWYFIORBQF-AWEZNQCLSA-N 0 0 326.400 4.337 20 10 EICDRN Cc1ccccc1C(C)(C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000815150580 1048369758 /nfs/dbraw/zinc/36/97/58/1048369758.db2.gz AYESXOUWWISTMO-UHFFFAOYSA-N 0 0 334.257 4.488 20 10 EICDRN CC[C@@H](NC(=S)NCc1cc(Cl)ccc1O)c1cccs1 ZINC000844583878 1048406483 /nfs/dbraw/zinc/40/64/83/1048406483.db2.gz IJSPUOLDZKHULK-GFCCVEGCSA-N 0 0 340.901 4.223 20 10 EICDRN O=C1CCC(CN2CCCc3cc(OC(F)(F)F)ccc32)CC1 ZINC000809575833 1048406673 /nfs/dbraw/zinc/40/66/73/1048406673.db2.gz MTCVCANCAVZVEF-UHFFFAOYSA-N 0 0 327.346 4.097 20 10 EICDRN COC(=O)/C=C/C(=O)Nc1ccc(/N=N/c2ccccc2C)cc1C ZINC001144105493 1048423567 /nfs/dbraw/zinc/42/35/67/1048423567.db2.gz WSIHRRHCISQIGS-UQFIQJEOSA-N 0 0 337.379 4.387 20 10 EICDRN Cc1cc(CCNC(=O)[C@@]2(C)CC=CCC2)c(C)n1-c1ccccc1 ZINC001131785471 1048433668 /nfs/dbraw/zinc/43/36/68/1048433668.db2.gz RJNYGZJQRUDSJZ-QFIPXVFZSA-N 0 0 336.479 4.499 20 10 EICDRN Cc1cc(CCNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c(C)n1-c1ccccc1 ZINC001131785484 1048437435 /nfs/dbraw/zinc/43/74/35/1048437435.db2.gz RYPUJCUEOIAISG-ZCNNSNEGSA-N 0 0 336.479 4.189 20 10 EICDRN Cn1ncc(NCc2cc(Cl)cc(F)c2O)c1-c1ccccc1 ZINC000809726754 1048478442 /nfs/dbraw/zinc/47/84/42/1048478442.db2.gz VQFDFUONGYYVJH-UHFFFAOYSA-N 0 0 331.778 4.197 20 10 EICDRN Cc1ncc(CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)s1 ZINC000809731930 1048483308 /nfs/dbraw/zinc/48/33/08/1048483308.db2.gz XOXRAQPDLPAAOG-UHFFFAOYSA-N 0 0 341.480 4.313 20 10 EICDRN CN(C)c1ccc(CN(Cc2ccco2)Cc2cccc(O)c2)cc1 ZINC000809731933 1048484294 /nfs/dbraw/zinc/48/42/94/1048484294.db2.gz XRVHTSWLOKHWTG-UHFFFAOYSA-N 0 0 336.435 4.254 20 10 EICDRN CN1CCC([N@H+](Cc2ccccc2)Cc2cccc(Cl)c2[O-])CC1 ZINC000809766910 1048498389 /nfs/dbraw/zinc/49/83/89/1048498389.db2.gz WAFDTLFPSCWOOM-UHFFFAOYSA-N 0 0 344.886 4.142 20 10 EICDRN Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809768380 1048503643 /nfs/dbraw/zinc/50/36/43/1048503643.db2.gz JDHZLBMBSSANBD-AWEZNQCLSA-N 0 0 340.254 4.376 20 10 EICDRN C[C@@H]([NH2+]CCOc1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815554053 1048505100 /nfs/dbraw/zinc/50/51/00/1048505100.db2.gz QJJGFNGAOHYBSG-GFCCVEGCSA-N 0 0 325.330 4.141 20 10 EICDRN COc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1F ZINC000809776027 1048508424 /nfs/dbraw/zinc/50/84/24/1048508424.db2.gz QHZFHFUZQKIHAW-UHFFFAOYSA-N 0 0 330.186 4.137 20 10 EICDRN Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815579134 1048518934 /nfs/dbraw/zinc/51/89/34/1048518934.db2.gz FPKGIYMBIYPTER-WBMJQRKESA-N 0 0 339.357 4.104 20 10 EICDRN CC(C)n1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000815583045 1048522872 /nfs/dbraw/zinc/52/28/72/1048522872.db2.gz VRKWAEBAQQRVQJ-NSHDSACASA-N 0 0 327.350 4.039 20 10 EICDRN C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595142 1048529835 /nfs/dbraw/zinc/52/98/35/1048529835.db2.gz ISESEQYCKJZLPF-ABAIWWIYSA-N 0 0 331.378 4.003 20 10 EICDRN COc1ccc(O)c(CNc2ccccc2O[C@@H](C)C(F)(F)F)c1 ZINC000809785329 1048532773 /nfs/dbraw/zinc/53/27/73/1048532773.db2.gz RREWCZQPUHSRBV-NSHDSACASA-N 0 0 341.329 4.343 20 10 EICDRN COc1cc(F)cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000815599922 1048533124 /nfs/dbraw/zinc/53/31/24/1048533124.db2.gz GAKZRRJJRAAJEK-JTQLQIEISA-N 0 0 343.320 4.410 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815615752 1048542219 /nfs/dbraw/zinc/54/22/19/1048542219.db2.gz WPYAWJFYLVNAMW-VHSXEESVSA-N 0 0 328.309 4.357 20 10 EICDRN C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815617867 1048543558 /nfs/dbraw/zinc/54/35/58/1048543558.db2.gz XBTDOHYFKIGSKZ-GOPGUHFVSA-N 0 0 343.389 4.267 20 10 EICDRN CCc1nc(C)c(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])o1 ZINC000815629039 1048552475 /nfs/dbraw/zinc/55/24/75/1048552475.db2.gz QYZUGIBVFVWJEQ-VIFPVBQESA-N 0 0 328.334 4.121 20 10 EICDRN COCCOCc1cccc(N[C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815603036 1048555458 /nfs/dbraw/zinc/55/54/58/1048555458.db2.gz RPNUGWLLBGGLRM-MRXNPFEDSA-N 0 0 329.440 4.345 20 10 EICDRN CC(C)N(Cc1cc(C(C)(C)C)on1)Cc1ccc(N(C)C)cc1 ZINC000809935055 1048567035 /nfs/dbraw/zinc/56/70/35/1048567035.db2.gz BEYXYJJCRBLRAF-UHFFFAOYSA-N 0 0 329.488 4.449 20 10 EICDRN CSCC1(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000845116732 1048599323 /nfs/dbraw/zinc/59/93/23/1048599323.db2.gz HRGUDDTVRZLGID-UHFFFAOYSA-N 0 0 346.540 4.169 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)c1nsc2ccc(C)cc21 ZINC000815797277 1048605919 /nfs/dbraw/zinc/60/59/19/1048605919.db2.gz JTGAEXUZXFUJDG-UHFFFAOYSA-N 0 0 340.448 4.363 20 10 EICDRN COc1ccc(O)c(CNc2cc(Cl)c(Cl)cc2OC)c1 ZINC000792185760 1048636730 /nfs/dbraw/zinc/63/67/30/1048636730.db2.gz CKVFYUDZCFNSNU-UHFFFAOYSA-N 0 0 328.195 4.328 20 10 EICDRN Oc1ccc(Br)cc1CNc1cc2cc(F)ccc2cn1 ZINC001171174671 1048642893 /nfs/dbraw/zinc/64/28/93/1048642893.db2.gz YNDOUHMOYDELTO-UHFFFAOYSA-N 0 0 347.187 4.454 20 10 EICDRN Cc1ccc(N(C)C)c(NCc2cc(Br)ccc2O)c1 ZINC001171176426 1048651304 /nfs/dbraw/zinc/65/13/04/1048651304.db2.gz NXDUCNXGWAJZFI-UHFFFAOYSA-N 0 0 335.245 4.141 20 10 EICDRN C[C@H](C(=O)NCCCSc1nccs1)c1ccc(Cl)cc1 ZINC000845504617 1048683639 /nfs/dbraw/zinc/68/36/39/1048683639.db2.gz CKOZDIFJDVBLBG-NSHDSACASA-N 0 0 340.901 4.199 20 10 EICDRN CC[C@@]1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])OCCc2ccccc21 ZINC000810243776 1048726957 /nfs/dbraw/zinc/72/69/57/1048726957.db2.gz UEHKQEQFHLNIEK-VLIAUNLRSA-N 0 0 329.415 4.060 20 10 EICDRN O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N(Cc1ccco1)Cc1ccccc1O ZINC000845794192 1048733348 /nfs/dbraw/zinc/73/33/48/1048733348.db2.gz YEIIWJAEWTXUEX-JTDSTZFVSA-N 0 0 337.419 4.116 20 10 EICDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1ccc(C)cc1 ZINC001135504347 1048755243 /nfs/dbraw/zinc/75/52/43/1048755243.db2.gz LNAFRYYLWAPKCM-UHFFFAOYSA-N 0 0 332.403 4.467 20 10 EICDRN Cc1cc(C(=O)NC[C@H]2CCCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000920749711 1048770061 /nfs/dbraw/zinc/77/00/61/1048770061.db2.gz RWSZKUDGKDXIJF-QGZVFWFLSA-N 0 0 346.858 4.046 20 10 EICDRN CCC(CC)NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001135550231 1048784599 /nfs/dbraw/zinc/78/45/99/1048784599.db2.gz ADSALVSJHVFBOK-UHFFFAOYSA-N 0 0 326.440 4.133 20 10 EICDRN Cc1cc(CNC(=O)[C@H]2Cc3ccc(F)cc32)c(C)n1-c1ccccc1 ZINC001132268055 1048788356 /nfs/dbraw/zinc/78/83/56/1048788356.db2.gz SETUIAPFQKTHLJ-NRFANRHFSA-N 0 0 348.421 4.189 20 10 EICDRN Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(Cl)c(F)cc1[O-])CCC2 ZINC000816510521 1048822947 /nfs/dbraw/zinc/82/29/47/1048822947.db2.gz YCENIHJHXMVFDI-AWEZNQCLSA-N 0 0 340.851 4.459 20 10 EICDRN COc1cccc([C@H](C)Nc2cc(F)ccc2OC(F)F)c1O ZINC000846159472 1048825416 /nfs/dbraw/zinc/82/54/16/1048825416.db2.gz GKLPCXZOIQAOSU-VIFPVBQESA-N 0 0 327.302 4.314 20 10 EICDRN COc1ccc([C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C2CC2)cc1 ZINC000816530820 1048825790 /nfs/dbraw/zinc/82/57/90/1048825790.db2.gz WFABPFDPXZJKDR-SFHVURJKSA-N 0 0 335.806 4.434 20 10 EICDRN COc1ccc(OC(C)C)c(N[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846162869 1048826621 /nfs/dbraw/zinc/82/66/21/1048826621.db2.gz NKPOWRBFJGDINA-ZDUSSCGKSA-N 0 0 331.412 4.370 20 10 EICDRN COc1cccc([C@@H](C)Nc2cc3c(cc2SC)OCCO3)c1O ZINC000846162334 1048827282 /nfs/dbraw/zinc/82/72/82/1048827282.db2.gz KYKNZBHFAIERCD-LLVKDONJSA-N 0 0 347.436 4.067 20 10 EICDRN COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816551071 1048827950 /nfs/dbraw/zinc/82/79/50/1048827950.db2.gz NXNYIYCOCPNSGC-VIFPVBQESA-N 0 0 327.758 4.183 20 10 EICDRN O=C1OCCN1Cc1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816523549 1048829962 /nfs/dbraw/zinc/82/99/62/1048829962.db2.gz VCXTZTQSPFERIE-UHFFFAOYSA-N 0 0 348.402 4.110 20 10 EICDRN C[C@@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CC(C)(C)C ZINC000920971382 1048830938 /nfs/dbraw/zinc/83/09/38/1048830938.db2.gz XRVKLFUGDXNMMD-WMZOPIPTSA-N 0 0 347.499 4.362 20 10 EICDRN COc1cccc([C@H](C)Nc2cc(Cl)c(OC)c(OC)c2)c1O ZINC000846196635 1048839255 /nfs/dbraw/zinc/83/92/55/1048839255.db2.gz NDLQDVCCXFQCJC-JTQLQIEISA-N 0 0 337.803 4.245 20 10 EICDRN COc1cccc([C@@H](C)Nc2cc(Cl)c(OC)c(OC)c2)c1O ZINC000846196636 1048839526 /nfs/dbraw/zinc/83/95/26/1048839526.db2.gz NDLQDVCCXFQCJC-SNVBAGLBSA-N 0 0 337.803 4.245 20 10 EICDRN CSCc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816608850 1048843057 /nfs/dbraw/zinc/84/30/57/1048843057.db2.gz LIWRQEBUMWDBHE-UHFFFAOYSA-N 0 0 325.836 4.338 20 10 EICDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1OCCc2sccc21 ZINC000816616851 1048845803 /nfs/dbraw/zinc/84/58/03/1048845803.db2.gz HUBFRNSUDZDEMP-ABKXIKBNSA-N 0 0 341.835 4.038 20 10 EICDRN COCc1ccnc(N[C@@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000846212359 1048848556 /nfs/dbraw/zinc/84/85/56/1048848556.db2.gz LQQMTEQIZOHBHR-JTQLQIEISA-N 0 0 326.318 4.126 20 10 EICDRN CC(=O)N(c1ccc(NCc2cccc(Cl)c2O)cc1)C1CC1 ZINC000816661192 1048850702 /nfs/dbraw/zinc/85/07/02/1048850702.db2.gz FOSCWKQZTPSWRY-UHFFFAOYSA-N 0 0 330.815 4.173 20 10 EICDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCc2ccc(Cl)cc21 ZINC000846309448 1048856655 /nfs/dbraw/zinc/85/66/55/1048856655.db2.gz 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1048967598 /nfs/dbraw/zinc/96/75/98/1048967598.db2.gz KTTBQXSVYZYIAZ-DZGCQCFKSA-N 0 0 346.496 4.040 20 10 EICDRN CC(C)c1nnc(CN(C)c2ccc(-c3nccs3)cc2)s1 ZINC000846997110 1048973436 /nfs/dbraw/zinc/97/34/36/1048973436.db2.gz UHJJTPBGNWMPRZ-UHFFFAOYSA-N 0 0 330.482 4.421 20 10 EICDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001135968290 1049025788 /nfs/dbraw/zinc/02/57/88/1049025788.db2.gz PTYCNARCZBBOBX-XLBJILASSA-N 0 0 340.511 4.318 20 10 EICDRN Cc1cnc(CCCC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)o1 ZINC000817762887 1049040929 /nfs/dbraw/zinc/04/09/29/1049040929.db2.gz WMQSJJGJWGFBBR-UHFFFAOYSA-N 0 0 326.396 4.020 20 10 EICDRN CCN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCCCC1 ZINC000817903438 1049056116 /nfs/dbraw/zinc/05/61/16/1049056116.db2.gz CQYRXSXXJMYOMR-UHFFFAOYSA-N 0 0 343.496 4.111 20 10 EICDRN CCC(CC)N(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000817924162 1049059490 /nfs/dbraw/zinc/05/94/90/1049059490.db2.gz FFMOOPJILITSSF-UHFFFAOYSA-N 0 0 343.496 4.109 20 10 EICDRN C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955394 1049067357 /nfs/dbraw/zinc/06/73/57/1049067357.db2.gz XNQGBUAWOQAUGQ-YGRLFVJLSA-N 0 0 325.239 4.050 20 10 EICDRN C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817958545 1049067530 /nfs/dbraw/zinc/06/75/30/1049067530.db2.gz XBRSQOUBKHPAND-JTQLQIEISA-N 0 0 325.239 4.175 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518027 1049100013 /nfs/dbraw/zinc/10/00/13/1049100013.db2.gz DKEIITWTMUDZTA-HOCLYGCPSA-N 0 0 342.266 4.233 20 10 EICDRN Cc1nc(C)c(C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)s1 ZINC001147246808 1049110041 /nfs/dbraw/zinc/11/00/41/1049110041.db2.gz IROJQCGPNOGAEZ-KRWDZBQOSA-N 0 0 344.480 4.136 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001147563494 1049189178 /nfs/dbraw/zinc/18/91/78/1049189178.db2.gz GJAUGYMEQSFLOK-PMPSAXMXSA-N 0 0 328.481 4.322 20 10 EICDRN CC(C)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001147677262 1049195659 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CC[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1cccc(Cl)c1[O-] ZINC000806146105 1047171485 /nfs/dbraw/zinc/17/14/85/1047171485.db2.gz KBASLIGCWRAJMN-AWEZNQCLSA-N 0 0 347.821 4.312 20 10 EICDRN CC[C@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)c1cccc(Cl)c1[O-] ZINC000806150125 1047172852 /nfs/dbraw/zinc/17/28/52/1047172852.db2.gz LVZXCNFTTPIMMT-DYVFJYSZSA-N 0 0 347.842 4.099 20 10 EICDRN CC[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cccc(Cl)c1[O-] ZINC000806150492 1047174872 /nfs/dbraw/zinc/17/48/72/1047174872.db2.gz UKGBRQGSHFBERN-FUHWJXTLSA-N 0 0 337.822 4.133 20 10 EICDRN CC[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cccc(Cl)c1[O-] ZINC000806150493 1047175591 /nfs/dbraw/zinc/17/55/91/1047175591.db2.gz UKGBRQGSHFBERN-SJLPKXTDSA-N 0 0 337.822 4.133 20 10 EICDRN CC[C@H](Nc1cccc2c1oc(=O)n2C)c1cccc(Cl)c1O ZINC000806154776 1047177060 /nfs/dbraw/zinc/17/70/60/1047177060.db2.gz JXXRMZKTXWUXIN-LBPRGKRZSA-N 0 0 332.787 4.054 20 10 EICDRN CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806164919 1047188274 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CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1CCC2 ZINC000920022953 1048389352 /nfs/dbraw/zinc/38/93/52/1048389352.db2.gz CTPVPEBYWHKNBI-UHFFFAOYSA-N 0 0 336.479 4.292 20 10 EICDRN COc1ccc2cc(NCc3cc(OC)c(OC)cc3O)ccc2c1 ZINC000809693057 1048459137 /nfs/dbraw/zinc/45/91/37/1048459137.db2.gz NADVRBRPQGYLTR-UHFFFAOYSA-N 0 0 339.391 4.183 20 10 EICDRN Cc1nc(CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)cs1 ZINC000809731310 1048481738 /nfs/dbraw/zinc/48/17/38/1048481738.db2.gz GGJWBBZCMNSZIS-UHFFFAOYSA-N 0 0 341.480 4.313 20 10 EICDRN CSCc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000809711257 1048490498 /nfs/dbraw/zinc/49/04/98/1048490498.db2.gz QCMNEKIXZZXEHH-UHFFFAOYSA-N 0 0 325.836 4.338 20 10 EICDRN CCCN(CCC)c1ccc(CN2CCOC[C@H]2CC(F)F)cc1 ZINC000809712713 1048490842 /nfs/dbraw/zinc/49/08/42/1048490842.db2.gz UGRBQBIPGDDLFE-GOSISDBHSA-N 0 0 340.458 4.169 20 10 EICDRN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(C(F)(F)F)c1[O-] ZINC000815556521 1048507117 /nfs/dbraw/zinc/50/71/17/1048507117.db2.gz XGAYQKIBWWSZNL-YPMHNXCESA-N 0 0 337.341 4.065 20 10 EICDRN Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCCO1 ZINC000815565845 1048512462 /nfs/dbraw/zinc/51/24/62/1048512462.db2.gz BOOHTNFAGVPBBW-QUCCMNQESA-N 0 0 325.452 4.225 20 10 EICDRN CC[C@H](c1ccncc1)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000809764389 1048523339 /nfs/dbraw/zinc/52/33/39/1048523339.db2.gz FSOHTOTUEISYIT-OAHLLOKOSA-N 0 0 335.245 4.133 20 10 EICDRN CSc1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])ccn1 ZINC000815590186 1048528670 /nfs/dbraw/zinc/52/86/70/1048528670.db2.gz OAZDIBOSELHIEK-JTQLQIEISA-N 0 0 342.386 4.379 20 10 EICDRN C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595145 1048529997 /nfs/dbraw/zinc/52/99/97/1048529997.db2.gz ISESEQYCKJZLPF-XHDPSFHLSA-N 0 0 331.378 4.003 20 10 EICDRN COc1cc(Cl)cc(CNc2cnn(CC(C)C)c2C2CC2)c1O ZINC000809780206 1048530084 /nfs/dbraw/zinc/53/00/84/1048530084.db2.gz PFHCFZJSRATVSS-UHFFFAOYSA-N 0 0 349.862 4.396 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CC3(F)F)CC2)cc1 ZINC000844868266 1048530563 /nfs/dbraw/zinc/53/05/63/1048530563.db2.gz UBKJBBQSEHEEHF-UHFFFAOYSA-N 0 0 344.405 4.356 20 10 EICDRN CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815598631 1048532430 /nfs/dbraw/zinc/53/24/30/1048532430.db2.gz ZCBZZZALHSVKJS-ABAIWWIYSA-N 0 0 333.394 4.105 20 10 EICDRN C[C@@H]([NH2+]CCSCC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815600297 1048533400 /nfs/dbraw/zinc/53/34/00/1048533400.db2.gz PPGKXFGEQMXEHG-MRVPVSSYSA-N 0 0 347.324 4.357 20 10 EICDRN Cc1cc(Br)cc(CNC2(C(F)F)CCCC2)c1O ZINC000809789785 1048535276 /nfs/dbraw/zinc/53/52/76/1048535276.db2.gz FVXGXMHCMARQNG-UHFFFAOYSA-N 0 0 334.204 4.131 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(C)c(SC)c2)c1 ZINC000844841912 1048535424 /nfs/dbraw/zinc/53/54/24/1048535424.db2.gz NYXPJXUMIHRYBJ-GFCCVEGCSA-N 0 0 346.452 4.314 20 10 EICDRN Cc1cccc(CCC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000815625012 1048548593 /nfs/dbraw/zinc/54/85/93/1048548593.db2.gz QAXXYUDVTGTFKD-ZDUSSCGKSA-N 0 0 338.373 4.398 20 10 EICDRN C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000815627044 1048551400 /nfs/dbraw/zinc/55/14/00/1048551400.db2.gz RRMFPQJMKAVWIN-NEPJUHHUSA-N 0 0 337.341 4.238 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])[C@H](O)c1ccccc1 ZINC000815626866 1048551551 /nfs/dbraw/zinc/55/15/51/1048551551.db2.gz NTGAOYWEVPNBSO-OZVIIMIRSA-N 0 0 339.357 4.184 20 10 EICDRN CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000844935439 1048553323 /nfs/dbraw/zinc/55/33/23/1048553323.db2.gz DWCAEVSQUCXDBA-HXUWFJFHSA-N 0 0 340.467 4.008 20 10 EICDRN C[C@]1(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)C[C@@H]2C=C[C@H]1C2 ZINC001144277336 1048555544 /nfs/dbraw/zinc/55/55/44/1048555544.db2.gz KSTFHTNYSHUCPZ-FGSXEWAUSA-N 0 0 332.447 4.404 20 10 EICDRN C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1cc[nH]c(=O)c1 ZINC000815642828 1048568254 /nfs/dbraw/zinc/56/82/54/1048568254.db2.gz MYMXQXVHSAIUEH-IUCAKERBSA-N 0 0 327.211 4.211 20 10 EICDRN CCc1noc(C)c1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815641109 1048568423 /nfs/dbraw/zinc/56/84/23/1048568423.db2.gz PKNRWLJFFROXSS-SECBINFHSA-N 0 0 328.334 4.121 20 10 EICDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000815647680 1048573719 /nfs/dbraw/zinc/57/37/19/1048573719.db2.gz RCUKCPPATPBQGA-STQMWFEESA-N 0 0 343.377 4.268 20 10 EICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@]1(C)C[C@@H]2C=C[C@H]1C2 ZINC001144288130 1048576124 /nfs/dbraw/zinc/57/61/24/1048576124.db2.gz RDYPIFMTEMOFKV-DAMNHTQYSA-N 0 0 339.479 4.351 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc(C)s1 ZINC000809986408 1048589332 /nfs/dbraw/zinc/58/93/32/1048589332.db2.gz HCQWRMJVUVFOKK-UHFFFAOYSA-N 0 0 330.497 4.104 20 10 EICDRN Oc1ccc(NCc2ccc3ncc(Br)cc3c2)cc1 ZINC001171162739 1048598549 /nfs/dbraw/zinc/59/85/49/1048598549.db2.gz BSADDECOFCCCMZ-UHFFFAOYSA-N 0 0 329.197 4.315 20 10 EICDRN Cc1cc(CCNC(=O)C2(F)CCCC2)c(C)n1-c1ccccc1 ZINC001132011310 1048600501 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C[C@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccccc1F ZINC000846017749 1048790550 /nfs/dbraw/zinc/79/05/50/1048790550.db2.gz PPNFSTIOWARYTR-VFZGTOFNSA-N 0 0 344.213 4.050 20 10 EICDRN Nc1ccc(Nc2c(F)c(F)c(Br)c(F)c2F)cc1 ZINC001159490466 1048807347 /nfs/dbraw/zinc/80/73/47/1048807347.db2.gz PMMBSIJSVVUDRT-UHFFFAOYSA-N 0 0 335.098 4.331 20 10 EICDRN COc1ccc(F)c(CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000816478148 1048810083 /nfs/dbraw/zinc/81/00/83/1048810083.db2.gz VYWCBDQNJDCFCY-UHFFFAOYSA-N 0 0 341.382 4.335 20 10 EICDRN CCCCN(Cc1ccccc1O)C(=O)C1CCC(C(C)(C)O)CC1 ZINC000846095607 1048810212 /nfs/dbraw/zinc/81/02/12/1048810212.db2.gz QMKUSZXHBYHZSO-UHFFFAOYSA-N 0 0 347.499 4.098 20 10 EICDRN O=C1OCCN1c1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816479156 1048810229 /nfs/dbraw/zinc/81/02/29/1048810229.db2.gz DACSDKYCVBQMTJ-UHFFFAOYSA-N 0 0 334.375 4.114 20 10 EICDRN CC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC001135609493 1048821788 /nfs/dbraw/zinc/82/17/88/1048821788.db2.gz JNASWTREIJDIHJ-LLVKDONJSA-N 0 0 349.272 4.385 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000816516630 1048824049 /nfs/dbraw/zinc/82/40/49/1048824049.db2.gz LQPRAOMACPRGRD-UHFFFAOYSA-N 0 0 347.817 4.206 20 10 EICDRN COc1ccc(-n2c(C)cc(CN(C)Cc3conc3C)c2C)cc1 ZINC000816517614 1048824527 /nfs/dbraw/zinc/82/45/27/1048824527.db2.gz WPCISULJMAXZEY-UHFFFAOYSA-N 0 0 339.439 4.031 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1OC(F)F ZINC000816531120 1048826198 /nfs/dbraw/zinc/82/61/98/1048826198.db2.gz GSANGHLFJANDBG-UHFFFAOYSA-N 0 0 331.721 4.076 20 10 EICDRN Oc1cc(F)c(Cl)cc1CNc1ccc(N2CCCCC2)cn1 ZINC000816536665 1048826707 /nfs/dbraw/zinc/82/67/07/1048826707.db2.gz GMIDMFGWCXLYSD-UHFFFAOYSA-N 0 0 335.810 4.182 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000816541293 1048826760 /nfs/dbraw/zinc/82/67/60/1048826760.db2.gz IOWSZSYVNAUYNI-ZWKOTPCHSA-N 0 0 335.806 4.195 20 10 EICDRN COc1ccc(Cl)cc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816541970 1048826870 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C[C@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000775411548 1051276885 /nfs/dbraw/zinc/27/68/85/1051276885.db2.gz PUCOYYZWGFDYBQ-PKYBCLHXSA-N 0 0 326.415 4.172 20 10 EICDRN Cc1cc(C(=O)O[C@H](C)c2cnccc2C)c(C)n1-c1ccccn1 ZINC000773942076 1051294613 /nfs/dbraw/zinc/29/46/13/1051294613.db2.gz JQEJVVZOCRPIJW-MRXNPFEDSA-N 0 0 335.407 4.111 20 10 EICDRN C[C@H](CC(=O)NCc1ccccc1O)Sc1ccc(Cl)cc1 ZINC001181772057 1051303766 /nfs/dbraw/zinc/30/37/66/1051303766.db2.gz VDKZVGRMVAMJRD-GFCCVEGCSA-N 0 0 335.856 4.233 20 10 EICDRN C[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000775437418 1051356512 /nfs/dbraw/zinc/35/65/12/1051356512.db2.gz DSZGHNMNPUXLPC-GFCCVEGCSA-N 0 0 349.381 4.237 20 10 EICDRN C[C@@H](NC(=O)/C=C/c1ccnc2ccccc12)c1ccc(N(C)C)cc1 ZINC000773989652 1051417307 /nfs/dbraw/zinc/41/73/07/1051417307.db2.gz OWSPXYVSVOQHHB-QSOAKEGCSA-N 0 0 345.446 4.191 20 10 EICDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3ccc(C)c(F)c3)cc12 ZINC001191476329 1051461640 /nfs/dbraw/zinc/46/16/40/1051461640.db2.gz XNBLMPHWDYGRDO-UHFFFAOYSA-N 0 0 347.411 4.010 20 10 EICDRN Cc1scc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c1C ZINC000774135090 1051476676 /nfs/dbraw/zinc/47/66/76/1051476676.db2.gz IFDGFPZCMLZCSY-UHFFFAOYSA-N 0 0 348.431 4.327 20 10 EICDRN C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774206578 1051502548 /nfs/dbraw/zinc/50/25/48/1051502548.db2.gz DPEHYRWHACAKSQ-QMMMGPOBSA-N 0 0 346.283 4.072 20 10 EICDRN C[C@@H]([NH2+]CCNc1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774216535 1051514910 /nfs/dbraw/zinc/51/49/10/1051514910.db2.gz HWRIVNOCVOZDPX-LLVKDONJSA-N 0 0 325.239 4.462 20 10 EICDRN CCCC(C)(C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000784856218 1051530630 /nfs/dbraw/zinc/53/06/30/1051530630.db2.gz VUFCUOJYSPDSFA-UHFFFAOYSA-N 0 0 334.529 4.072 20 10 EICDRN Cc1cccc(C)c1NC(=S)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774259711 1051531751 /nfs/dbraw/zinc/53/17/51/1051531751.db2.gz XEFKUXHFAJEFLU-OAHLLOKOSA-N 0 0 327.497 4.417 20 10 EICDRN Cc1cccc(NCC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000774260966 1051531796 /nfs/dbraw/zinc/53/17/96/1051531796.db2.gz UKXUPOMRCQVBSH-NSHDSACASA-N 0 0 340.254 4.165 20 10 EICDRN COc1ccsc1C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001191775089 1051532821 /nfs/dbraw/zinc/53/28/21/1051532821.db2.gz VLVOKRDULDRHLJ-QGZVFWFLSA-N 0 0 345.464 4.133 20 10 EICDRN Cc1ncc(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])s1 ZINC000774267919 1051536393 /nfs/dbraw/zinc/53/63/93/1051536393.db2.gz YHALPEOOQMNIHG-QMMMGPOBSA-N 0 0 331.268 4.357 20 10 EICDRN C[C@H]([NH2+]CCc1ccc(CO)cc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774269771 1051537831 /nfs/dbraw/zinc/53/78/31/1051537831.db2.gz BYTDCJVWIUDKEQ-NSHDSACASA-N 0 0 340.250 4.085 20 10 EICDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc(N3CCCC3)nc2)cc1 ZINC001175349157 1051537769 /nfs/dbraw/zinc/53/77/69/1051537769.db2.gz LWPHRVNMJOQUEG-UHFFFAOYSA-N 0 0 345.450 4.316 20 10 EICDRN C[C@@H](Nc1cnn(-c2ccccn2)c1)c1cc(Cl)c(Cl)cc1O ZINC000774300287 1051544288 /nfs/dbraw/zinc/54/42/88/1051544288.db2.gz CCRNVRRWEGZHLN-SNVBAGLBSA-N 0 0 349.221 4.453 20 10 EICDRN CC[C@@H]([NH2+]CCCn1ccnc1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775492878 1051592147 /nfs/dbraw/zinc/59/21/47/1051592147.db2.gz PVGLXMVKKJLWHF-CQSZACIVSA-N 0 0 342.270 4.335 20 10 EICDRN C[S@](=O)c1ccc(Nc2cccc3c2C(=O)c2ccccc2-3)cc1 ZINC001175479024 1051607745 /nfs/dbraw/zinc/60/77/45/1051607745.db2.gz LQALIVJNJKXCMV-DEOSSOPVSA-N 0 0 333.412 4.379 20 10 EICDRN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nnc(-c2ccccc2)o1 ZINC000774482078 1051611978 /nfs/dbraw/zinc/61/19/78/1051611978.db2.gz FKBFTMBLECYUAQ-GJZGRUSLSA-N 0 0 336.439 4.214 20 10 EICDRN CC[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775497387 1051619238 /nfs/dbraw/zinc/61/92/38/1051619238.db2.gz PQTFPSYJOYJYHP-IINYFYTJSA-N 0 0 340.254 4.161 20 10 EICDRN Cc1cc(C)c(CNC(=O)c2ccc(Oc3ccccc3)nc2)c(O)c1 ZINC001192082736 1051622253 /nfs/dbraw/zinc/62/22/53/1051622253.db2.gz AQMLNAMIQNVHKL-UHFFFAOYSA-N 0 0 348.402 4.126 20 10 EICDRN CC[C@@H](Nc1cc(C)cc(OCCO)c1)c1cc(Cl)ccc1O ZINC000774512245 1051633198 /nfs/dbraw/zinc/63/31/98/1051633198.db2.gz YTSBFLJFTZAQMX-QGZVFWFLSA-N 0 0 335.831 4.288 20 10 EICDRN O=C(c1ccccn1)c1cc(Cl)ccc1Nc1cccc(CO)c1 ZINC001175516629 1051644397 /nfs/dbraw/zinc/64/43/97/1051644397.db2.gz UGRQGJDVUXZNEP-UHFFFAOYSA-N 0 0 338.794 4.202 20 10 EICDRN COc1ccc2c(c1)CCCCN2Cc1ccc(F)cc1[N+](=O)[O-] ZINC001192315731 1051689454 /nfs/dbraw/zinc/68/94/54/1051689454.db2.gz SBXXXUFXSPCCIJ-UHFFFAOYSA-N 0 0 330.359 4.085 20 10 EICDRN CC(=O)c1cc(Cl)cc(CN2CCSC[C@@H]2C(C)(C)C)c1O ZINC001175700459 1051709547 /nfs/dbraw/zinc/70/95/47/1051709547.db2.gz YSFAFNWETIADHU-OAHLLOKOSA-N 0 0 341.904 4.212 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)c2scnc2C2CCCC2)c1 ZINC000183976488 1051714530 /nfs/dbraw/zinc/71/45/30/1051714530.db2.gz WDXWCRPFYZLWEG-LLVKDONJSA-N 0 0 346.452 4.006 20 10 EICDRN CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000775525642 1051725112 /nfs/dbraw/zinc/72/51/12/1051725112.db2.gz LSPNDQZGEYKTLV-BXKDBHETSA-N 0 0 346.176 4.053 20 10 EICDRN CC[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1cc(Cl)ccc1O ZINC000775525609 1051725484 /nfs/dbraw/zinc/72/54/84/1051725484.db2.gz XPSPNKJSZGYFKJ-DOPJRALCSA-N 0 0 333.859 4.251 20 10 EICDRN CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000775525643 1051726080 /nfs/dbraw/zinc/72/60/80/1051726080.db2.gz LSPNDQZGEYKTLV-CABZTGNLSA-N 0 0 346.176 4.053 20 10 EICDRN CCOc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000775533986 1051744583 /nfs/dbraw/zinc/74/45/83/1051744583.db2.gz ADRZBJOLLHAZPR-OAHLLOKOSA-N 0 0 341.455 4.342 20 10 EICDRN CCOc1ccc(N[C@@H](CC)c2cc(Cl)ccc2O)cc1CO ZINC000775548147 1051808492 /nfs/dbraw/zinc/80/84/92/1051808492.db2.gz RDCCJWVBIKBCFE-INIZCTEOSA-N 0 0 335.831 4.500 20 10 EICDRN CC[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cc(Cl)ccc1O ZINC000775548064 1051808873 /nfs/dbraw/zinc/80/88/73/1051808873.db2.gz WSYNOQNEMKGCMF-GUYCJALGSA-N 0 0 344.842 4.212 20 10 EICDRN Oc1ccccc1CN1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001203563037 1051826716 /nfs/dbraw/zinc/82/67/16/1051826716.db2.gz TXBAFHCVKOORFH-MRXNPFEDSA-N 0 0 335.369 4.231 20 10 EICDRN CC(C)(C)CCN(CCc1ccccc1)C(=O)c1cccc(O)c1O ZINC001175909102 1051839800 /nfs/dbraw/zinc/83/98/00/1051839800.db2.gz ANCDSYCVEJALJZ-UHFFFAOYSA-N 0 0 341.451 4.219 20 10 EICDRN Cc1cc(C(=O)N2CC[C@@H](CF)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001175969236 1051852762 /nfs/dbraw/zinc/85/27/62/1051852762.db2.gz LPNWTINTDVOMMK-KRWDZBQOSA-N 0 0 328.431 4.143 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cc(C)cs1 ZINC001176181648 1051929801 /nfs/dbraw/zinc/92/98/01/1051929801.db2.gz IIKWXVRPZKLDSP-UHFFFAOYSA-N 0 0 330.497 4.104 20 10 EICDRN CN(C)c1cc(NCc2cccc(F)c2O)cc(C(F)(F)F)c1 ZINC001183949169 1051930461 /nfs/dbraw/zinc/93/04/61/1051930461.db2.gz IVRJSTPPGYEWIW-UHFFFAOYSA-N 0 0 328.309 4.228 20 10 EICDRN COc1ccncc1NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000072059611 1051931545 /nfs/dbraw/zinc/93/15/45/1051931545.db2.gz WLWRIPWAZUXSBC-UHFFFAOYSA-N 0 0 335.407 4.058 20 10 EICDRN Cc1ccc(-c2cc(C(=O)NCc3c(C)cc(C)cc3O)c[nH]2)cc1 ZINC001193784980 1051987154 /nfs/dbraw/zinc/98/71/54/1051987154.db2.gz WQNIXMOTYKVORH-UHFFFAOYSA-N 0 0 334.419 4.243 20 10 EICDRN Cc1[nH]c2ccccc2c1SCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001184398881 1052004276 /nfs/dbraw/zinc/00/42/76/1052004276.db2.gz OCCSTEXYPTUCNY-UHFFFAOYSA-N 0 0 348.418 4.342 20 10 EICDRN Cc1cc(CNC(=O)Nc2ncccc2C)c(C)n1-c1ccccc1 ZINC001203239110 1052007165 /nfs/dbraw/zinc/00/71/65/1052007165.db2.gz PEEYDTPZYIPTBR-UHFFFAOYSA-N 0 0 334.423 4.119 20 10 EICDRN Cc1ccc(C)c(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)n1 ZINC001184597560 1052053122 /nfs/dbraw/zinc/05/31/22/1052053122.db2.gz LPJAPXMOWNVRGK-UHFFFAOYSA-N 0 0 331.419 4.128 20 10 EICDRN CC(=O)c1cc(F)cc(CN2C[C@@H](C(C)C)c3ccccc32)c1O ZINC001194000338 1052059802 /nfs/dbraw/zinc/05/98/02/1052059802.db2.gz WYHQAJUOCQOPLD-SFHVURJKSA-N 0 0 327.399 4.494 20 10 EICDRN COc1ccc(N(CCC(C)C)Cc2cc(CO)ccc2F)cc1 ZINC001194073944 1052070611 /nfs/dbraw/zinc/07/06/11/1052070611.db2.gz MSIAGPORSLRXPH-UHFFFAOYSA-N 0 0 331.431 4.379 20 10 EICDRN COC(=O)c1coc(CN(CCC(C)C)c2ccc(OC)cc2)c1 ZINC001194073618 1052071090 /nfs/dbraw/zinc/07/10/90/1052071090.db2.gz FUOHKATVZUVCQE-UHFFFAOYSA-N 0 0 331.412 4.128 20 10 EICDRN CN(C)c1ccc(CN(c2nc3ccc(F)cc3o2)C2CC2)cc1 ZINC001184958055 1052133092 /nfs/dbraw/zinc/13/30/92/1052133092.db2.gz LXRPWDRPQWDRMO-UHFFFAOYSA-N 0 0 325.387 4.202 20 10 EICDRN Cc1c2cc(C)c(C)cc2sc1C(=O)NCc1cccc(O)c1O ZINC001176565026 1052133278 /nfs/dbraw/zinc/13/32/78/1052133278.db2.gz HRPMHPFUPVYKEU-UHFFFAOYSA-N 0 0 341.432 4.168 20 10 EICDRN CCN(Cc1ccccc1)c1ccc(CNc2cnn(C)c2C)cc1 ZINC000774823532 1052170605 /nfs/dbraw/zinc/17/06/05/1052170605.db2.gz OMWDBHCMTCUCDY-UHFFFAOYSA-N 0 0 334.467 4.367 20 10 EICDRN COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC000774849419 1052203144 /nfs/dbraw/zinc/20/31/44/1052203144.db2.gz JMJHBISNUFXHJF-NSHDSACASA-N 0 0 333.815 4.108 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C2CCC2)ccn1 ZINC001185305598 1052215908 /nfs/dbraw/zinc/21/59/08/1052215908.db2.gz XZZGVCBBEQOOLF-UHFFFAOYSA-N 0 0 337.467 4.077 20 10 EICDRN Cc1cc2nc(NCc3cc(Cl)c4cccnc4c3O)ccc2[nH]1 ZINC001168527433 1052533778 /nfs/dbraw/zinc/53/37/78/1052533778.db2.gz HZMVEGVMVXFUJD-UHFFFAOYSA-N 0 0 338.798 4.391 20 10 EICDRN C[C@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(F)cc1[O-] ZINC000185406663 1052595746 /nfs/dbraw/zinc/59/57/46/1052595746.db2.gz VJLIGHQFSDLCSF-RBZFPXEDSA-N 0 0 325.383 4.069 20 10 EICDRN Cc1cc(C(=O)N[C@H]2CCC(F)(F)C2)c(C)n1-c1cccc(C)c1 ZINC000763867381 1052622049 /nfs/dbraw/zinc/62/20/49/1052622049.db2.gz ZZCUIHVKCVNVIR-HNNXBMFYSA-N 0 0 332.394 4.320 20 10 EICDRN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000185666622 1052672969 /nfs/dbraw/zinc/67/29/69/1052672969.db2.gz UJXKLCNXNPKBGN-CABCVRRESA-N 0 0 337.423 4.086 20 10 EICDRN CC(C)(C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1(C)C ZINC001299247721 1052757660 /nfs/dbraw/zinc/75/76/60/1052757660.db2.gz FBVYOSROHQEMQD-HEWZJLJBSA-N 0 0 331.456 4.174 20 10 EICDRN 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O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(Nc2ccccc2)cc1 ZINC000588403600 1022906097 /nfs/dbraw/zinc/90/60/97/1022906097.db2.gz PPZXFSJOCDHTAL-QPEQYQDCSA-N 0 0 346.386 4.493 20 10 EICDRN C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ccc(F)cc1[O-] ZINC000185047615 1022999407 /nfs/dbraw/zinc/99/94/07/1022999407.db2.gz OWMWEWLIBQEIHO-OAHLLOKOSA-N 0 0 343.446 4.013 20 10 EICDRN Cc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCOCC1 ZINC000185126658 1023009878 /nfs/dbraw/zinc/00/98/78/1023009878.db2.gz OFZXGWMCLJYIEW-INIZCTEOSA-N 0 0 343.442 4.239 20 10 EICDRN Cc1cccc([C@@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)c1C ZINC000588406992 1023012195 /nfs/dbraw/zinc/01/21/95/1023012195.db2.gz GGPRQUDUWYJJJU-FYGXRCCRSA-N 0 0 337.419 4.092 20 10 EICDRN C[C@@H]([NH2+]Cc1cscn1)c1cc(Br)cc(Cl)c1[O-] ZINC000756507086 1023138601 /nfs/dbraw/zinc/13/86/01/1023138601.db2.gz AKAAYOCUIVWHGP-SSDOTTSWSA-N 0 0 347.665 4.115 20 10 EICDRN CC[C@@H](C)n1ncc(NCc2ccc(OC)c(OC)c2O)c1C1CC1 ZINC000893291593 1023148378 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20 10 EICDRN Cc1csc(CCCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756533682 1023395061 /nfs/dbraw/zinc/39/50/61/1023395061.db2.gz GVUJQGQCCZQPCU-NSHDSACASA-N 0 0 326.412 4.109 20 10 EICDRN CCSCC[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000075382146 1023428840 /nfs/dbraw/zinc/42/88/40/1023428840.db2.gz IEQUWFWNFHIJOG-CQSZACIVSA-N 0 0 345.512 4.093 20 10 EICDRN C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(OC(F)(F)F)cc1 ZINC000191804956 1023575035 /nfs/dbraw/zinc/57/50/35/1023575035.db2.gz CJITYEGYPQEBOX-JTQLQIEISA-N 0 0 329.293 4.281 20 10 EICDRN Cc1ncccc1/C=C1/SC(=S)N(c2ccc(F)cc2F)C1=O ZINC000255366710 1023622288 /nfs/dbraw/zinc/62/22/88/1023622288.db2.gz VGGQDNMHYRJJNE-VGOFMYFVSA-N 0 0 348.399 4.074 20 10 EICDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1F ZINC001125534398 1023697975 /nfs/dbraw/zinc/69/79/75/1023697975.db2.gz IRVGRCMQVVRMIX-YESZJQIVSA-N 0 0 332.463 4.114 20 10 EICDRN CCc1ccccc1NC(=S)N[C@@H](C)c1cc(OC)ccc1O ZINC000728793594 1023700318 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ZINC000728820217 1024082116 /nfs/dbraw/zinc/08/21/16/1024082116.db2.gz FAQREEFZVDOYQF-SSZFMOIBSA-N 0 0 326.415 4.002 20 10 EICDRN CCCc1cc(C(=O)NCc2ccc(N(C)C)cc2C)sc1C ZINC001126082722 1024097696 /nfs/dbraw/zinc/09/76/96/1024097696.db2.gz QJEUQCGDBNFWOD-UHFFFAOYSA-N 0 0 330.497 4.313 20 10 EICDRN C[C@@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1cc(F)cc(F)c1[O-] ZINC000756731031 1024186153 /nfs/dbraw/zinc/18/61/53/1024186153.db2.gz CLXVZSQRKOHZPO-MRVPVSSYSA-N 0 0 347.283 4.262 20 10 EICDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276858056 1024569695 /nfs/dbraw/zinc/56/96/95/1024569695.db2.gz CABNSTNUPZEZHC-GHMZBOCLSA-N 0 0 337.414 4.342 20 10 EICDRN CC(C)Oc1ccc(N(C)Cc2noc(Cc3ccccc3)n2)cc1 ZINC000759928583 1024577400 /nfs/dbraw/zinc/57/74/00/1024577400.db2.gz NSGSGKJPPPKYPN-UHFFFAOYSA-N 0 0 337.423 4.084 20 10 EICDRN Cc1cc(CC(=O)N2CCC[C@H]3CCC[C@H]32)c(C)n1-c1ccccc1 ZINC001126174035 1024723336 /nfs/dbraw/zinc/72/33/36/1024723336.db2.gz OCEQREPQMXWQMX-WIYYLYMNSA-N 0 0 336.479 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CC[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccc(F)cc1[O-] ZINC000796663404 1027404190 /nfs/dbraw/zinc/40/41/90/1027404190.db2.gz MDXFNHGEDSRDCN-QZTJIDSGSA-N 0 0 334.410 4.014 20 10 EICDRN C[C@@H](NCc1nnc(C2CC2)s1)c1cc(Cl)c(Cl)cc1O ZINC000840892394 1027578885 /nfs/dbraw/zinc/57/88/85/1027578885.db2.gz ZGVZFAGHDDDFCJ-SSDOTTSWSA-N 0 0 344.267 4.279 20 10 EICDRN C[C@@H](NCc1c(F)cccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000121015153 1027649417 /nfs/dbraw/zinc/64/94/17/1027649417.db2.gz KJLXWJZXHRNCKU-CQSZACIVSA-N 0 0 348.849 4.167 20 10 EICDRN CC[C@H](C)Oc1cc(C[NH2+]Cc2c([O-])cccc2F)ccc1OC ZINC000896639296 1027756542 /nfs/dbraw/zinc/75/65/42/1027756542.db2.gz CQITYVBUHQAPJH-ZDUSSCGKSA-N 0 0 333.403 4.007 20 10 EICDRN Cc1ccccc1NC1=NC(=O)C(=Cc2cc(C)c(O)c(C)c2)S1 ZINC000007165885 1027840522 /nfs/dbraw/zinc/84/05/22/1027840522.db2.gz VIDYZYADFZYPLN-MHWRWJLKSA-N 0 0 338.432 4.400 20 10 EICDRN Cc1ccsc1CN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472276260 1027858320 /nfs/dbraw/zinc/85/83/20/1027858320.db2.gz 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/nfs/dbraw/zinc/89/99/64/1045899964.db2.gz HRRUQXAAWLEJPB-KGLIPLIRSA-N 0 0 343.475 4.111 20 10 EICDRN O=C(/C=C\c1cccc(OC2CCCC2)c1)NCc1ccccc1O ZINC000769364925 1045938206 /nfs/dbraw/zinc/93/82/06/1045938206.db2.gz KNPGDULCQZXCRA-SEYXRHQNSA-N 0 0 337.419 4.043 20 10 EICDRN c1cc(N2CCCC2)ccc1OCc1noc(C2CCCCC2)n1 ZINC000160930778 1045988692 /nfs/dbraw/zinc/98/86/92/1045988692.db2.gz PURRDIYUFFBNEA-UHFFFAOYSA-N 0 0 327.428 4.297 20 10 EICDRN [O-]c1c(Br)cccc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000769499865 1045997698 /nfs/dbraw/zinc/99/76/98/1045997698.db2.gz WZLCDKXDSSWZJR-KGLIPLIRSA-N 0 0 342.302 4.015 20 10 EICDRN O=C(N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C1=CC(=O)CS1 ZINC001170309864 1046009188 /nfs/dbraw/zinc/00/91/88/1046009188.db2.gz FVVDREFDPNFUIB-AWEZNQCLSA-N 0 0 346.839 4.396 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2SC)c1 ZINC000103566408 1046035390 /nfs/dbraw/zinc/03/53/90/1046035390.db2.gz VNDORLZHVJLGMR-NSHDSACASA-N 0 0 332.425 4.005 20 10 EICDRN CCCOc1ccccc1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000103567683 1046036932 /nfs/dbraw/zinc/03/69/32/1046036932.db2.gz UHZJKQMGQGFQBT-CYBMUJFWSA-N 0 0 344.411 4.072 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2C(C)C)c1 ZINC000103565315 1046037194 /nfs/dbraw/zinc/03/71/94/1046037194.db2.gz JGGSFOMCANPESF-ZDUSSCGKSA-N 0 0 328.412 4.407 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)/C=C\c2cccc(F)c2)cc1 ZINC000916502690 1046064307 /nfs/dbraw/zinc/06/43/07/1046064307.db2.gz UHIFDNCYBITONA-RAXLEYEMSA-N 0 0 326.415 4.002 20 10 EICDRN C[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000916587379 1046098966 /nfs/dbraw/zinc/09/89/66/1046098966.db2.gz BMHIVIOLOXBYRX-LPHOPBHVSA-N 0 0 329.488 4.007 20 10 EICDRN CCC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000793235924 1046181979 /nfs/dbraw/zinc/18/19/79/1046181979.db2.gz HXBTWWWALOMSQA-WMZOPIPTSA-N 0 0 337.822 4.177 20 10 EICDRN CNC(=O)c1ccc(C)c(NCc2cc(-c3ccccc3)ccc2O)c1 ZINC000770522673 1046217904 /nfs/dbraw/zinc/21/79/04/1046217904.db2.gz SZMUIOWWWPIOII-UHFFFAOYSA-N 0 0 346.430 4.339 20 10 EICDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ncc(Cl)s1 ZINC000770663821 1046245477 /nfs/dbraw/zinc/24/54/77/1046245477.db2.gz CZQHLXMWBPOXQH-UHFFFAOYSA-N 0 0 330.787 4.351 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)c1coc2cc(F)ccc21 ZINC000793655837 1046326029 /nfs/dbraw/zinc/32/60/29/1046326029.db2.gz JVGYZTNXWAXHMF-UHFFFAOYSA-N 0 0 327.355 4.330 20 10 EICDRN CCc1cc(CN(C)Cc2nncn2C(C)C)c(O)c(C(C)(C)C)c1 ZINC000793804937 1046336076 /nfs/dbraw/zinc/33/60/76/1046336076.db2.gz HVZJOEGYUJCANC-UHFFFAOYSA-N 0 0 344.503 4.057 20 10 EICDRN CCCn1c2ccc(F)cc2nc1-c1ccc(N2CCOCC2)cc1 ZINC000916854701 1046392487 /nfs/dbraw/zinc/39/24/87/1046392487.db2.gz NZVKWRHVCKJKPU-UHFFFAOYSA-N 0 0 339.414 4.089 20 10 EICDRN Cn1nc(CN(Cc2ccco2)Cc2ccccc2O)c2ccccc21 ZINC000771924496 1046518080 /nfs/dbraw/zinc/51/80/80/1046518080.db2.gz JZECIVZCEFALOV-UHFFFAOYSA-N 0 0 347.418 4.074 20 10 EICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCC1(C)C ZINC000771892844 1046521493 /nfs/dbraw/zinc/52/14/93/1046521493.db2.gz NFOXDKJNNDHWPH-LJQANCHMSA-N 0 0 328.500 4.462 20 10 EICDRN Cc1ccc(C(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)c(O)c1O ZINC000804529182 1046570462 /nfs/dbraw/zinc/57/04/62/1046570462.db2.gz RVLKXPFXAUTBOY-GUYCJALGSA-N 0 0 325.408 4.020 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)cc1 ZINC000772490223 1046650797 /nfs/dbraw/zinc/65/07/97/1046650797.db2.gz HQFKXVWOLWFNFQ-QUCCMNQESA-N 0 0 340.467 4.028 20 10 EICDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(C2CC2)cc1 ZINC000772567235 1046671574 /nfs/dbraw/zinc/67/15/74/1046671574.db2.gz JZXFZKWRDTVQSY-UHFFFAOYSA-N 0 0 335.451 4.486 20 10 EICDRN C[C@H](NCc1cc(Cl)ccc1O)c1nc(C(F)(F)F)cs1 ZINC000785607036 1046718895 /nfs/dbraw/zinc/71/88/95/1046718895.db2.gz ODTFRVHYONSWEX-ZETCQYMHSA-N 0 0 336.766 4.372 20 10 EICDRN CCCOc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000917117318 1046731840 /nfs/dbraw/zinc/73/18/40/1046731840.db2.gz PALYHVOGDUEHCX-UHFFFAOYSA-N 0 0 338.451 4.006 20 10 EICDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001129818826 1046739640 /nfs/dbraw/zinc/73/96/40/1046739640.db2.gz FBZYZWNJHPAJRL-GFIVTLFCSA-N 0 0 330.516 4.181 20 10 EICDRN O=[N+]([O-])c1cc(CNc2cccc(Cl)n2)ccc1N1CCCCC1 ZINC000785723344 1046739794 /nfs/dbraw/zinc/73/97/94/1046739794.db2.gz UQXOBJPHIAFWQQ-UHFFFAOYSA-N 0 0 346.818 4.246 20 10 EICDRN Cc1cc(C(=O)Nc2ccc(N(C)C)cc2C)c(C)n1-c1ccccn1 ZINC000917166674 1046794987 /nfs/dbraw/zinc/79/49/87/1046794987.db2.gz YSYKVDWKCGEJLO-UHFFFAOYSA-N 0 0 348.450 4.116 20 10 EICDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001129973477 1046820178 /nfs/dbraw/zinc/82/01/78/1046820178.db2.gz IOHVXOAOZQXABJ-BBWFWOEESA-N 0 0 332.532 4.427 20 10 EICDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001129973479 1046821391 /nfs/dbraw/zinc/82/13/91/1046821391.db2.gz IOHVXOAOZQXABJ-ULQDDVLXSA-N 0 0 332.532 4.427 20 10 EICDRN CN(C)c1ccc(OCC(=O)Nc2ccccc2C(C)(C)C)cc1 ZINC000786876216 1046877539 /nfs/dbraw/zinc/87/75/39/1046877539.db2.gz JQZTYHQWUWOAOR-UHFFFAOYSA-N 0 0 326.440 4.068 20 10 EICDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](C)C(F)(F)F)c1 ZINC001130159413 1046882110 /nfs/dbraw/zinc/88/21/10/1046882110.db2.gz DYWVPKMFHGEEKV-NSHDSACASA-N 0 0 344.764 4.428 20 10 EICDRN CC[C@H](Nc1ccc2ccc(=O)n(C)c2c1)c1ccc(N(C)C)cc1 ZINC000786940448 1046888845 /nfs/dbraw/zinc/88/88/45/1046888845.db2.gz IWEMKWBEVXXKEC-IBGZPJMESA-N 0 0 335.451 4.168 20 10 EICDRN C[C@@H]1C[C@H](Nc2ccc3ccc(=O)n(C)c3c2)c2c1c(F)ccc2O ZINC000786942066 1046888930 /nfs/dbraw/zinc/88/89/30/1046888930.db2.gz SXBQJPJBRJXBTO-ABAIWWIYSA-N 0 0 338.382 4.044 20 10 EICDRN CCNC(=O)Nc1ccc(C)c(N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000786990380 1046891721 /nfs/dbraw/zinc/89/17/21/1046891721.db2.gz RQAZOFPBFJVSBQ-HNNXBMFYSA-N 0 0 340.471 4.376 20 10 EICDRN CC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@H]1CCCCO1 ZINC001130283141 1046928071 /nfs/dbraw/zinc/92/80/71/1046928071.db2.gz ZPAMBFRVIDTOQX-VQTJNVASSA-N 0 0 340.467 4.172 20 10 EICDRN CN(Cc1ccc(Cl)nc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000787270610 1046976259 /nfs/dbraw/zinc/97/62/59/1046976259.db2.gz LTQQZKQCWPGCRY-UHFFFAOYSA-N 0 0 344.720 4.119 20 10 EICDRN C[C@H]1CN(c2ccc(CNc3cccc(Cl)n3)cc2F)C[C@H](C)O1 ZINC000787897570 1047070719 /nfs/dbraw/zinc/07/07/19/1047070719.db2.gz OFJUDOIDTNSGLW-STQMWFEESA-N 0 0 349.837 4.100 20 10 EICDRN CC[C@@H]([NH2+][C@H](C)Cn1ccnc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131452 1047124013 /nfs/dbraw/zinc/12/40/13/1047124013.db2.gz JMVBWEBYWZXZTK-QMTHXVAHSA-N 0 0 328.243 4.025 20 10 EICDRN CC[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cccc(Cl)c1[O-] ZINC000806133738 1047127240 /nfs/dbraw/zinc/12/72/40/1047127240.db2.gz CVUXYEAUNGNUAM-SFHVURJKSA-N 0 0 330.859 4.102 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132530 1047128348 /nfs/dbraw/zinc/12/83/48/1047128348.db2.gz XKKHOKBQFBXWGY-ARFHVFGLSA-N 0 0 343.298 4.367 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132533 1047129235 /nfs/dbraw/zinc/12/92/35/1047129235.db2.gz XKKHOKBQFBXWGY-XHSDSOJGSA-N 0 0 343.298 4.367 20 10 EICDRN CC[C@H]([NH2+][C@H](C)Cc1cnccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136474 1047131638 /nfs/dbraw/zinc/13/16/38/1047131638.db2.gz YGFQUFZMRQIFJV-BMIGLBTASA-N 0 0 340.254 4.161 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccccc1OCCOC)c1cccc(Cl)c1[O-] ZINC000806134364 1047132374 /nfs/dbraw/zinc/13/23/74/1047132374.db2.gz XVKSLDWUHFCNFE-QGZVFWFLSA-N 0 0 349.858 4.312 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cccc(Cl)c1[O-] ZINC000806136142 1047134320 /nfs/dbraw/zinc/13/43/20/1047134320.db2.gz SNSNKITZDZGCCA-QGZVFWFLSA-N 0 0 341.842 4.472 20 10 EICDRN CC[C@@H]([NH2+][C@@H]1COc2c(cccc2OC)C1)c1cccc(Cl)c1[O-] ZINC000806138219 1047136711 /nfs/dbraw/zinc/13/67/11/1047136711.db2.gz XCGUETVBQWRKHE-XJKSGUPXSA-N 0 0 347.842 4.099 20 10 EICDRN COc1ccc(N2CCC(Nc3cccc4ccn(C)c43)CC2)cc1 ZINC000788263555 1047146207 /nfs/dbraw/zinc/14/62/07/1047146207.db2.gz SKDIURZNRBDDEG-UHFFFAOYSA-N 0 0 335.451 4.268 20 10 EICDRN CCN(C)C(=O)c1cccc(N[C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000806169327 1047155416 /nfs/dbraw/zinc/15/54/16/1047155416.db2.gz DLVBEGOJNNSOIE-LBPRGKRZSA-N 0 0 332.831 4.311 20 10 EICDRN COc1cc(NNC(=S)Nc2ccc(Cl)cc2)ccc1Cl ZINC000788336992 1047163160 /nfs/dbraw/zinc/16/31/60/1047163160.db2.gz HXTFUWPRQLEFHD-UHFFFAOYSA-N 0 0 342.251 4.316 20 10 EICDRN CC[C@H]([NH2+]CCOc1cccnc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140388 1047166021 /nfs/dbraw/zinc/16/60/21/1047166021.db2.gz XPCLYVDCYBIMGI-HNNXBMFYSA-N 0 0 341.238 4.214 20 10 EICDRN CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1[O-] ZINC000806140710 1047166374 /nfs/dbraw/zinc/16/63/74/1047166374.db2.gz BGGGPAYFYMQVNE-HNNXBMFYSA-N 0 0 334.803 4.237 20 10 EICDRN CC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144718 1047169784 /nfs/dbraw/zinc/16/97/84/1047169784.db2.gz TVIWSESVKOCHPH-IXPVHAAZSA-N 0 0 332.271 4.291 20 10 EICDRN CC[C@@H]([NH2+]Cc1cccc(F)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148639 1047173844 /nfs/dbraw/zinc/17/38/44/1047173844.db2.gz JGZCEXLLYDMYJD-CYBMUJFWSA-N 0 0 329.202 4.474 20 10 EICDRN CC[C@H]([NH2+]CCSCC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806150225 1047175362 /nfs/dbraw/zinc/17/53/62/1047175362.db2.gz NVEQQAYHVOWNTN-NSHDSACASA-N 0 0 327.799 4.382 20 10 EICDRN CC[C@@H](Nc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1O ZINC000806151338 1047177257 /nfs/dbraw/zinc/17/72/57/1047177257.db2.gz DZONIVMPZPWJTP-GOSISDBHSA-N 0 0 346.858 4.445 20 10 EICDRN CC[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1cccc(Cl)c1O ZINC000806157755 1047182230 /nfs/dbraw/zinc/18/22/30/1047182230.db2.gz ULTMVHLDCKXOIM-CXAGYDPISA-N 0 0 344.842 4.212 20 10 EICDRN CC[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1[O-] ZINC000806160737 1047183802 /nfs/dbraw/zinc/18/38/02/1047183802.db2.gz JYMYMYIDGFNFQE-INIZCTEOSA-N 0 0 344.842 4.258 20 10 EICDRN C1=CCN(c2ccc(CNc3nccc(Oc4ccccc4)n3)cc2)C1 ZINC000788543154 1047219684 /nfs/dbraw/zinc/21/96/84/1047219684.db2.gz YKFDTMDYLQTLBL-UHFFFAOYSA-N 0 0 344.418 4.257 20 10 EICDRN Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788602257 1047243017 /nfs/dbraw/zinc/24/30/17/1047243017.db2.gz APHVJBYYQOBMFG-DTWKUNHWSA-N 0 0 328.334 4.428 20 10 EICDRN CC[C@H]1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H](CC)CO1 ZINC001130608632 1047243271 /nfs/dbraw/zinc/24/32/71/1047243271.db2.gz IHFNRFYBZJKYRC-ICSRJNTNSA-N 0 0 340.467 4.124 20 10 EICDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc(C(F)(F)F)c1[O-] ZINC000788604027 1047245179 /nfs/dbraw/zinc/24/51/79/1047245179.db2.gz SMBAKPWVWKCFOQ-BMIGLBTASA-N 0 0 345.386 4.031 20 10 EICDRN CSC1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CCC1 ZINC000788605938 1047246425 /nfs/dbraw/zinc/24/64/25/1047246425.db2.gz NWLFIEGFJZNOCP-VIFPVBQESA-N 0 0 348.281 4.230 20 10 EICDRN C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000788615170 1047249635 /nfs/dbraw/zinc/24/96/35/1047249635.db2.gz WBIVWGWWPFGKKD-JKSUJKDBSA-N 0 0 328.431 4.099 20 10 EICDRN COCCOc1ccc(N[C@H](C)c2c(C)cc(C)cc2O)cc1F ZINC000788704227 1047273028 /nfs/dbraw/zinc/27/30/28/1047273028.db2.gz NSNJKLDZUPEWRE-CQSZACIVSA-N 0 0 333.403 4.346 20 10 EICDRN COCCOc1ccc(N[C@@H](C)c2c(C)cc(C)cc2O)cc1F ZINC000788704223 1047273179 /nfs/dbraw/zinc/27/31/79/1047273179.db2.gz NSNJKLDZUPEWRE-AWEZNQCLSA-N 0 0 333.403 4.346 20 10 EICDRN Cc1cc(C)c([C@@H](C)Nc2cccc(-c3nnnn3C3CC3)c2)c(O)c1 ZINC000788717437 1047274897 /nfs/dbraw/zinc/27/48/97/1047274897.db2.gz GLHDNPBAHQRXGX-CQSZACIVSA-N 0 0 349.438 4.171 20 10 EICDRN Cc1cc(C)c([C@H](C)Nc2ccc(N3CCOCC3)c(F)c2)c(O)c1 ZINC000788735620 1047299183 /nfs/dbraw/zinc/29/91/83/1047299183.db2.gz MNEFKBZZZAWLNE-HNNXBMFYSA-N 0 0 344.430 4.158 20 10 EICDRN C[C@H]1CN(C(=O)NCCCSc2nccs2)[C@H]1c1ccccc1 ZINC000154630176 1047305651 /nfs/dbraw/zinc/30/56/51/1047305651.db2.gz LCPUSILTQRKGPM-DZGCQCFKSA-N 0 0 347.509 4.028 20 10 EICDRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccccc1OC1CC1 ZINC000806560346 1047306363 /nfs/dbraw/zinc/30/63/63/1047306363.db2.gz LGCNLJLHBRESGQ-UHFFFAOYSA-N 0 0 336.435 4.470 20 10 EICDRN C[C@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918055518 1047306301 /nfs/dbraw/zinc/30/63/01/1047306301.db2.gz CERGKUSQZLLEQB-KXBFYZLASA-N 0 0 329.488 4.005 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)C2(CCOC)CCCC2)cc1 ZINC000760319336 1047314587 /nfs/dbraw/zinc/31/45/87/1047314587.db2.gz IYRARAZLVYCDGJ-UHFFFAOYSA-N 0 0 346.515 4.088 20 10 EICDRN CCC(=O)c1ccc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1 ZINC000760462888 1047380499 /nfs/dbraw/zinc/38/04/99/1047380499.db2.gz MXKCBNFQRQFMTN-UHFFFAOYSA-N 0 0 338.451 4.008 20 10 EICDRN CCC1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000918208821 1047380694 /nfs/dbraw/zinc/38/06/94/1047380694.db2.gz FPULCFZUMRVKKM-UHFFFAOYSA-N 0 0 329.488 4.055 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000918229912 1047385362 /nfs/dbraw/zinc/38/53/62/1047385362.db2.gz VGHRNVJJSPSEGS-UHFFFAOYSA-N 0 0 343.446 4.014 20 10 EICDRN CCOc1ccc(N(CC)Cc2ncc(Br)s2)cc1 ZINC000789301500 1047397551 /nfs/dbraw/zinc/39/75/51/1047397551.db2.gz YINWQDSCKDIYEF-UHFFFAOYSA-N 0 0 341.274 4.331 20 10 EICDRN Cc1cc(C(=O)N2CCC[C@@H]2C2CCCC2)c(C)n1-c1ccccn1 ZINC000918383713 1047422463 /nfs/dbraw/zinc/42/24/63/1047422463.db2.gz NDVPKADUGSJPDT-LJQANCHMSA-N 0 0 337.467 4.284 20 10 EICDRN CC(C)(C)[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)c2ccccc21 ZINC000841960275 1047445979 /nfs/dbraw/zinc/44/59/79/1047445979.db2.gz ZXHYRYHWNBBJNG-GOSISDBHSA-N 0 0 337.467 4.171 20 10 EICDRN COc1cccc(O)c1CNc1cc(Br)c(F)cc1C ZINC000789593070 1047446112 /nfs/dbraw/zinc/44/61/12/1047446112.db2.gz KWSBGXSFUFSGAO-UHFFFAOYSA-N 0 0 340.192 4.223 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc(C)cc1C ZINC000807330684 1047447692 /nfs/dbraw/zinc/44/76/92/1047447692.db2.gz PLHBMFSPTQNSGJ-UHFFFAOYSA-N 0 0 338.495 4.351 20 10 EICDRN CCCCN(Cc1ccccc1O)C(=O)NCC1(C(F)(F)F)CC1 ZINC000807491577 1047465611 /nfs/dbraw/zinc/46/56/11/1047465611.db2.gz UXHDLOCVBXFPDO-UHFFFAOYSA-N 0 0 344.377 4.046 20 10 EICDRN Cc1cc(C(=O)Nc2nc(C3CC3)c[nH]2)c(C)n1-c1cccc(C)c1 ZINC000807662688 1047480020 /nfs/dbraw/zinc/48/00/20/1047480020.db2.gz MUNJADIWPJRIJY-UHFFFAOYSA-N 0 0 334.423 4.255 20 10 EICDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(F)c1Cl ZINC000789881601 1047480469 /nfs/dbraw/zinc/48/04/69/1047480469.db2.gz RPVDBNYYPJKOPS-UHFFFAOYSA-N 0 0 334.822 4.126 20 10 EICDRN CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3F)o2)SC1=S ZINC000790106633 1047520812 /nfs/dbraw/zinc/52/08/12/1047520812.db2.gz RXUUTVXWQFLAJY-GHXNOFRVSA-N 0 0 337.372 4.056 20 10 EICDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cc(C)cc(O)c2)c1 ZINC001170128491 1047524343 /nfs/dbraw/zinc/52/43/43/1047524343.db2.gz FHFKLGVQVUFVGK-UHFFFAOYSA-N 0 0 348.402 4.173 20 10 EICDRN O=C(NCc1ccc(C2CC2)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000790186195 1047532916 /nfs/dbraw/zinc/53/29/16/1047532916.db2.gz OFJMTKLYRKYQSF-UHFFFAOYSA-N 0 0 349.478 4.164 20 10 EICDRN CN(C)c1nc2cc(NCc3c(O)ccc(Cl)c3F)ccc2o1 ZINC000790240325 1047539454 /nfs/dbraw/zinc/53/94/54/1047539454.db2.gz FKGNGCDVEQUSSH-UHFFFAOYSA-N 0 0 335.766 4.004 20 10 EICDRN Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898218473 1047568425 /nfs/dbraw/zinc/56/84/25/1047568425.db2.gz HXSAMHLLZBPFIH-UHFFFAOYSA-N 0 0 347.871 4.230 20 10 EICDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](c2ccncc2)C2CC2)c1 ZINC000898321983 1047616770 /nfs/dbraw/zinc/61/67/70/1047616770.db2.gz GBPYXBPEHHUNCG-MRXNPFEDSA-N 0 0 347.256 4.099 20 10 EICDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2CC2CCCC2)cc1 ZINC000824317922 1047853373 /nfs/dbraw/zinc/85/33/73/1047853373.db2.gz UZYRWAUTJHWTLH-INIZCTEOSA-N 0 0 328.416 4.034 20 10 EICDRN CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001136854654 1047854976 /nfs/dbraw/zinc/85/49/76/1047854976.db2.gz GCMFROQZFYXEKP-UKRRQHHQSA-N 0 0 328.456 4.267 20 10 EICDRN Cc1cnc(CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)s1 ZINC000824383532 1047864509 /nfs/dbraw/zinc/86/45/09/1047864509.db2.gz PGHHMNCZFJKJSB-UHFFFAOYSA-N 0 0 341.480 4.313 20 10 EICDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccc1C(F)F ZINC000824428580 1047867528 /nfs/dbraw/zinc/86/75/28/1047867528.db2.gz REUCKRIVSYMQHH-UHFFFAOYSA-N 0 0 333.382 4.320 20 10 EICDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H]1OCCc2sccc21 ZINC000814177468 1047868036 /nfs/dbraw/zinc/86/80/36/1047868036.db2.gz CRSLNCBBNGTPMG-FVMDXXJSSA-N 0 0 341.835 4.038 20 10 EICDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H]1OCCc2sccc21 ZINC000814177469 1047868468 /nfs/dbraw/zinc/86/84/68/1047868468.db2.gz CRSLNCBBNGTPMG-JDNHERCYSA-N 0 0 341.835 4.038 20 10 EICDRN CCN(Cc1ccccc1)c1ccc(CN[C@H]2CCn3ccnc32)cc1 ZINC000824522356 1047880161 /nfs/dbraw/zinc/88/01/61/1047880161.db2.gz VKCUZYWJRSJXSC-NRFANRHFSA-N 0 0 346.478 4.144 20 10 EICDRN CC(C)Oc1ccccc1/C=C1\SC(=S)N(C2CCC2)C1=O ZINC000814185434 1047881844 /nfs/dbraw/zinc/88/18/44/1047881844.db2.gz GWVWKOWVCTZOTH-GDNBJRDFSA-N 0 0 333.478 4.228 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCc3ncccc32)cc1 ZINC000824559060 1047884738 /nfs/dbraw/zinc/88/47/38/1047884738.db2.gz DNGUMVWJARXOSY-UHFFFAOYSA-N 0 0 331.419 4.082 20 10 EICDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000808444597 1047909250 /nfs/dbraw/zinc/90/92/50/1047909250.db2.gz OUXMLMXBFRSWLU-BZNIZROVSA-N 0 0 348.240 4.075 20 10 EICDRN CCCCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000814270166 1047918814 /nfs/dbraw/zinc/91/88/14/1047918814.db2.gz YTNSDURKKVNIPI-QINSGFPZSA-N 0 0 335.494 4.477 20 10 EICDRN COc1ccccc1/C=C1/SC(=S)N([C@@H]2CCCC[C@H]2C)C1=O ZINC000814294649 1047924474 /nfs/dbraw/zinc/92/44/74/1047924474.db2.gz RNAVWEWWGOQENG-XWIFYCKRSA-N 0 0 347.505 4.475 20 10 EICDRN COc1ccccc1N1C(=O)/C(=C\c2ccccc2C)SC1=S ZINC000814272606 1047925184 /nfs/dbraw/zinc/92/51/84/1047925184.db2.gz OTZLXHCLDKQCEE-LFIBNONCSA-N 0 0 341.457 4.409 20 10 EICDRN COc1ccccc1/C=C1\SC(=S)N([C@@H]2CCCC[C@@H]2C)C1=O ZINC000814294644 1047927253 /nfs/dbraw/zinc/92/72/53/1047927253.db2.gz RNAVWEWWGOQENG-PRFZHCMLSA-N 0 0 347.505 4.475 20 10 EICDRN O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1C1CC1 ZINC000814284048 1047936709 /nfs/dbraw/zinc/93/67/09/1047936709.db2.gz CFPSQAMPKILWFD-YRNVUSSQSA-N 0 0 329.368 4.069 20 10 EICDRN COc1cccc(CNc2cccc(Cl)c2OCC(F)F)c1O ZINC000808433724 1047949417 /nfs/dbraw/zinc/94/94/17/1047949417.db2.gz OBCVEPVXCWSCOL-UHFFFAOYSA-N 0 0 343.757 4.310 20 10 EICDRN CC(C)[C@@H](Sc1nccs1)C(=O)N1CCCc2ccccc21 ZINC000919676949 1047968896 /nfs/dbraw/zinc/96/88/96/1047968896.db2.gz BHHMBQJOFHXKPO-OAHLLOKOSA-N 0 0 332.494 4.239 20 10 EICDRN CCn1ccnc1[C@H](C)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000825005733 1048009405 /nfs/dbraw/zinc/00/94/05/1048009405.db2.gz QTJBBAIBLJZFBX-KRWDZBQOSA-N 0 0 336.483 4.470 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000825084614 1048031885 /nfs/dbraw/zinc/03/18/85/1048031885.db2.gz GGXOXVIOPPYGNG-IAQYHMDHSA-N 0 0 341.835 4.256 20 10 EICDRN CC(=O)N1CCc2c1cccc2N[C@H](C)c1cc(Cl)cc(C)c1O ZINC000808715154 1048065107 /nfs/dbraw/zinc/06/51/07/1048065107.db2.gz SIWQHMSBWDHEOO-GFCCVEGCSA-N 0 0 344.842 4.436 20 10 EICDRN COC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1cccc(Cl)c1 ZINC000808731785 1048095206 /nfs/dbraw/zinc/09/52/06/1048095206.db2.gz ALGBVUMYAFBDLY-HWPZZCPQSA-N 0 0 341.785 4.362 20 10 EICDRN Cc1cc(C(=O)N[C@H]2CCc3c2cccc3F)c(C)n1-c1ccccn1 ZINC000919835873 1048131032 /nfs/dbraw/zinc/13/10/32/1048131032.db2.gz RFSOEGUJGJYGEN-IBGZPJMESA-N 0 0 349.409 4.046 20 10 EICDRN COc1cccc(CNc2nc(-c3ccccc3F)cs2)c1O ZINC000814839501 1048197350 /nfs/dbraw/zinc/19/73/50/1048197350.db2.gz SOPIMYPSNJCVNQ-UHFFFAOYSA-N 0 0 330.384 4.276 20 10 EICDRN CC(C)N(Cc1cccc(F)c1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000919898629 1048278256 /nfs/dbraw/zinc/27/82/56/1048278256.db2.gz FZVOFBDDQNHIGA-UHFFFAOYSA-N 0 0 343.446 4.012 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCC(C)CC1 ZINC000919917202 1048291613 /nfs/dbraw/zinc/29/16/13/1048291613.db2.gz KSAQDIPBNJUBMX-UHFFFAOYSA-N 0 0 331.504 4.110 20 10 EICDRN Cc1cc(CN2CCCC[C@H]2c2noc(C3CC3)n2)ccc1N(C)C ZINC000815020114 1048298321 /nfs/dbraw/zinc/29/83/21/1048298321.db2.gz YVAUJQQMTCSEHW-SFHVURJKSA-N 0 0 340.471 4.049 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)c2ccn(C(C)C)c2C)cc1 ZINC000815052669 1048306054 /nfs/dbraw/zinc/30/60/54/1048306054.db2.gz XESKYMJSLSAYQK-UHFFFAOYSA-N 0 0 327.472 4.154 20 10 EICDRN CCn1ccnc1[C@H]1CCCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815105193 1048345920 /nfs/dbraw/zinc/34/59/20/1048345920.db2.gz HFXIZZPQQZCJOQ-LJQANCHMSA-N 0 0 326.488 4.005 20 10 EICDRN Oc1c(Br)cccc1CNc1ccc([C@@H]2CCOC2)cc1 ZINC000815155286 1048354554 /nfs/dbraw/zinc/35/45/54/1048354554.db2.gz ZIDMUFKRCKODLU-CQSZACIVSA-N 0 0 348.240 4.271 20 10 EICDRN CCn1cc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cn1 ZINC000919980170 1048366497 /nfs/dbraw/zinc/36/64/97/1048366497.db2.gz DIWZBHMIKKMUBW-UHFFFAOYSA-N 0 0 342.830 4.216 20 10 EICDRN COCC1(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1 ZINC000815148509 1048367353 /nfs/dbraw/zinc/36/73/53/1048367353.db2.gz YBUREJMFMFGRGA-UHFFFAOYSA-N 0 0 325.452 4.356 20 10 EICDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccnn1C1CCCCC1 ZINC000844524252 1048376086 /nfs/dbraw/zinc/37/60/86/1048376086.db2.gz RFXRKDRLKSTUGE-UHFFFAOYSA-N 0 0 348.834 4.069 20 10 EICDRN Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1cc(Cl)ccc1O ZINC000844573894 1048412009 /nfs/dbraw/zinc/41/20/09/1048412009.db2.gz RYQGABVETVWFAV-UHFFFAOYSA-N 0 0 347.846 4.050 20 10 EICDRN COc1ccccc1O[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000809710979 1048491791 /nfs/dbraw/zinc/49/17/91/1048491791.db2.gz FLXPCJCJEBLPLD-HNNXBMFYSA-N 0 0 347.842 4.098 20 10 EICDRN CCCn1nc(C)c(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1C ZINC000809776206 1048506650 /nfs/dbraw/zinc/50/66/50/1048506650.db2.gz YPEBKMYHQFQHSY-UHFFFAOYSA-N 0 0 342.270 4.212 20 10 EICDRN C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(C(F)(F)F)c1[O-] ZINC000815556519 1048506997 /nfs/dbraw/zinc/50/69/97/1048506997.db2.gz XGAYQKIBWWSZNL-DGCLKSJQSA-N 0 0 337.341 4.065 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000809775950 1048508859 /nfs/dbraw/zinc/50/88/59/1048508859.db2.gz NBHVLQALGAHFMC-UHFFFAOYSA-N 0 0 348.233 4.379 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cccc(C(F)(F)F)c1[O-] ZINC000815576286 1048516304 /nfs/dbraw/zinc/51/63/04/1048516304.db2.gz NNSQXEHOCZWWJY-ZUZCIYMTSA-N 0 0 337.341 4.455 20 10 EICDRN Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815579131 1048518356 /nfs/dbraw/zinc/51/83/56/1048518356.db2.gz FPKGIYMBIYPTER-BLLLJJGKSA-N 0 0 339.357 4.104 20 10 EICDRN CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000809765225 1048523787 /nfs/dbraw/zinc/52/37/87/1048523787.db2.gz LLRZPAXMDYMEHS-MRXNPFEDSA-N 0 0 349.272 4.441 20 10 EICDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815583621 1048524169 /nfs/dbraw/zinc/52/41/69/1048524169.db2.gz KJNDNNIGDYGCIE-SPGJAERMSA-N 0 0 343.389 4.265 20 10 EICDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(C(F)(F)F)c1[O-] ZINC000815589289 1048525681 /nfs/dbraw/zinc/52/56/81/1048525681.db2.gz ODSXCBUDGWNSQJ-FATJJJSSSA-N 0 0 329.362 4.019 20 10 EICDRN CCOc1ccc(CN2CCCn3c(cc4ccccc43)C2)c(O)c1 ZINC000809782787 1048532445 /nfs/dbraw/zinc/53/24/45/1048532445.db2.gz HEWZWGMDEWSZNW-UHFFFAOYSA-N 0 0 336.435 4.152 20 10 EICDRN C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815574727 1048538428 /nfs/dbraw/zinc/53/84/28/1048538428.db2.gz ARLVHBQTBVZEJL-XHDPSFHLSA-N 0 0 331.378 4.003 20 10 EICDRN C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815614276 1048541167 /nfs/dbraw/zinc/54/11/67/1048541167.db2.gz KYSZOLKWBMZLHL-ZWNOBZJWSA-N 0 0 331.378 4.408 20 10 EICDRN Cc1cc(C)c([C@H](C)Nc2ccc(N3CCOCC3)c(C)c2)c(O)c1 ZINC000815615127 1048541727 /nfs/dbraw/zinc/54/17/27/1048541727.db2.gz JAMGTZUSRGWYQL-KRWDZBQOSA-N 0 0 340.467 4.327 20 10 EICDRN C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000815627047 1048551917 /nfs/dbraw/zinc/55/19/17/1048551917.db2.gz RRMFPQJMKAVWIN-VXGBXAGGSA-N 0 0 337.341 4.238 20 10 EICDRN C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815632759 1048556365 /nfs/dbraw/zinc/55/63/65/1048556365.db2.gz WZSHLJYMTAPZRR-WHOFXGATSA-N 0 0 330.359 4.036 20 10 EICDRN CSc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(F)cc2[O-])N(C)C)cc1 ZINC000815659463 1048560985 /nfs/dbraw/zinc/56/09/85/1048560985.db2.gz CFYMENPBALFVQC-FZKQIMNGSA-N 0 0 348.487 4.207 20 10 EICDRN Cc1c(NCC(C)(C)C)cccc1C(=O)N(C)Cc1ccccc1O ZINC000748028027 1048599465 /nfs/dbraw/zinc/59/94/65/1048599465.db2.gz WKSYEGIUYSXTIY-UHFFFAOYSA-N 0 0 340.467 4.431 20 10 EICDRN Cc1cc(CCNC(=O)[C@@H]2CCCCS2)c(C)n1-c1ccccc1 ZINC001132011316 1048599820 /nfs/dbraw/zinc/59/98/20/1048599820.db2.gz KNVHPJANEJFYGC-IBGZPJMESA-N 0 0 342.508 4.039 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(OC(C)(C)C)cn1 ZINC000815797252 1048606657 /nfs/dbraw/zinc/60/66/57/1048606657.db2.gz IJJGXCCCCJLQDF-UHFFFAOYSA-N 0 0 342.439 4.017 20 10 EICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(F)c[nH]1 ZINC000815952038 1048655591 /nfs/dbraw/zinc/65/55/91/1048655591.db2.gz XLGKOXGLUOQTNW-CQSZACIVSA-N 0 0 338.382 4.263 20 10 EICDRN Cc1cc(C(=O)NCc2ccncc2)c(C)n1-c1cccc(Cl)c1 ZINC000920399168 1048663892 /nfs/dbraw/zinc/66/38/92/1048663892.db2.gz NTCLICUJXPNGIH-UHFFFAOYSA-N 0 0 339.826 4.073 20 10 EICDRN CC[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(F)cc1[O-] ZINC000810250544 1048730281 /nfs/dbraw/zinc/73/02/81/1048730281.db2.gz NDIHIOQXEAKRQW-KPFFTGBYSA-N 0 0 329.415 4.492 20 10 EICDRN C[C@H]1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000845793430 1048732857 /nfs/dbraw/zinc/73/28/57/1048732857.db2.gz SDKBFWXJAYMQQU-WKILWMFISA-N 0 0 327.424 4.340 20 10 EICDRN O=C(NCc1ccccc1O)C1(Cc2cccs2)CCCCC1 ZINC000810274448 1048738799 /nfs/dbraw/zinc/73/87/99/1048738799.db2.gz CMBIUZZTAPKLEH-UHFFFAOYSA-N 0 0 329.465 4.263 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCOc1ccccc1 ZINC001135459567 1048738673 /nfs/dbraw/zinc/73/86/73/1048738673.db2.gz OIJCZQIDUJDJAY-UHFFFAOYSA-N 0 0 348.446 4.211 20 10 EICDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCCC[C@@H]2C)ccc1C ZINC001135494534 1048758035 /nfs/dbraw/zinc/75/80/35/1048758035.db2.gz FWWQQRPPDIBXDH-HNNXBMFYSA-N 0 0 338.451 4.230 20 10 EICDRN C[C@@H](NC(=O)c1snc(Cl)c1Cl)c1ccc(N(C)C)cc1 ZINC000845956406 1048762033 /nfs/dbraw/zinc/76/20/33/1048762033.db2.gz GYYWOENAANOEIH-MRVPVSSYSA-N 0 0 344.267 4.007 20 10 EICDRN CC[C@H]([NH2+][C@@H](CO)[C@H](C)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806145740 1048766547 /nfs/dbraw/zinc/76/65/47/1048766547.db2.gz GAZSFRNXQFFUNS-BVGQSLNGSA-N 0 0 333.859 4.251 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCc2ccccc2Cl)c1 ZINC000810347416 1048768645 /nfs/dbraw/zinc/76/86/45/1048768645.db2.gz CLOXYYNDAJRUIW-CYBMUJFWSA-N 0 0 347.842 4.254 20 10 EICDRN CC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC001135609494 1048821794 /nfs/dbraw/zinc/82/17/94/1048821794.db2.gz JNASWTREIJDIHJ-NSHDSACASA-N 0 0 349.272 4.385 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000816510969 1048822519 /nfs/dbraw/zinc/82/25/19/1048822519.db2.gz KXRQMPIFGPMAOA-GOSISDBHSA-N 0 0 349.833 4.057 20 10 EICDRN S=C(NCCN1CCCc2ccccc21)Nc1ccccc1Cl ZINC000920993547 1048824250 /nfs/dbraw/zinc/82/42/50/1048824250.db2.gz IQKAKCYOIHKEPA-UHFFFAOYSA-N 0 0 345.899 4.079 20 10 EICDRN CCOc1cc2c(cc1N[C@@H](C)c1cccc(OC)c1O)O[C@@H](C)C2 ZINC000846158718 1048825501 /nfs/dbraw/zinc/82/55/01/1048825501.db2.gz CYXQQXJTJOYMFU-STQMWFEESA-N 0 0 343.423 4.296 20 10 EICDRN CCOc1ccc(OCC)c(N[C@H](C)c2cccc(OC)c2O)c1 ZINC000846160989 1048825606 /nfs/dbraw/zinc/82/56/06/1048825606.db2.gz YGGVXJDGVUQFST-CYBMUJFWSA-N 0 0 331.412 4.371 20 10 EICDRN COc1cccc([C@H](C)Nc2cc(F)c(N3CCCC3)c(F)c2)c1O ZINC000846160110 1048825788 /nfs/dbraw/zinc/82/57/88/1048825788.db2.gz SJXUGDFHRLEDFK-LBPRGKRZSA-N 0 0 348.393 4.452 20 10 EICDRN CCOc1cc2c(cc1N[C@@H](C)c1cccc(OC)c1O)O[C@H](C)C2 ZINC000846158713 1048826059 /nfs/dbraw/zinc/82/60/59/1048826059.db2.gz CYXQQXJTJOYMFU-OLZOCXBDSA-N 0 0 343.423 4.296 20 10 EICDRN COc1cccc([C@H](C)Nc2cccc(OC[C@H]3CCCO3)c2)c1O ZINC000846161554 1048826997 /nfs/dbraw/zinc/82/69/97/1048826997.db2.gz GFKJOCNETLIHJG-WMLDXEAASA-N 0 0 343.423 4.132 20 10 EICDRN CCc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548863 1048828087 /nfs/dbraw/zinc/82/80/87/1048828087.db2.gz VMRXKHJQDAYELS-MRXNPFEDSA-N 0 0 335.806 4.361 20 10 EICDRN CCC(=O)Nc1ccc(C)c(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816522318 1048828304 /nfs/dbraw/zinc/82/83/04/1048828304.db2.gz TXSGYYVMZDZEBF-UHFFFAOYSA-N 0 0 336.794 4.454 20 10 EICDRN CCc1c(N[C@H](C)c2cccc(OC)c2O)cnn1CCC(C)C ZINC000846167377 1048828558 /nfs/dbraw/zinc/82/85/58/1048828558.db2.gz XMJHWJPCQQSURT-CQSZACIVSA-N 0 0 331.460 4.379 20 10 EICDRN COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816551070 1048828568 /nfs/dbraw/zinc/82/85/68/1048828568.db2.gz NXNYIYCOCPNSGC-SECBINFHSA-N 0 0 327.758 4.183 20 10 EICDRN Cc1cc(-c2nnco2)ccc1NCc1cc(Cl)c(F)cc1O ZINC000816525399 1048830217 /nfs/dbraw/zinc/83/02/17/1048830217.db2.gz RLZWJIKDMVQCPW-UHFFFAOYSA-N 0 0 333.750 4.155 20 10 EICDRN C[C@@H]1COCCN1c1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816527813 1048830692 /nfs/dbraw/zinc/83/06/92/1048830692.db2.gz ZWDOKNLGXZWYID-MRXNPFEDSA-N 0 0 348.446 4.383 20 10 EICDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccc(-n2cccn2)c1 ZINC000816553970 1048833531 /nfs/dbraw/zinc/83/35/31/1048833531.db2.gz LMCDFBSOPWJXGG-LBPRGKRZSA-N 0 0 345.805 4.221 20 10 EICDRN Oc1cc(F)c(Cl)cc1CNc1ccnn1Cc1ccccc1F ZINC000816563902 1048835413 /nfs/dbraw/zinc/83/54/13/1048835413.db2.gz NENKVBCKUBTKEH-UHFFFAOYSA-N 0 0 349.768 4.181 20 10 EICDRN CCCCCn1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c(C)n1 ZINC000816559952 1048836122 /nfs/dbraw/zinc/83/61/22/1048836122.db2.gz ZVMMPRRLRGKOLH-UHFFFAOYSA-N 0 0 339.842 4.170 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000816569441 1048837631 /nfs/dbraw/zinc/83/76/31/1048837631.db2.gz LULNMUFXBVXTFC-UHFFFAOYSA-N 0 0 345.805 4.159 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000816593704 1048841247 /nfs/dbraw/zinc/84/12/47/1048841247.db2.gz AYBQJEAZMMZWKL-AWEZNQCLSA-N 0 0 348.849 4.191 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000816614641 1048844996 /nfs/dbraw/zinc/84/49/96/1048844996.db2.gz BBZOEYNTSPGKRK-KDOFPFPSSA-N 0 0 335.806 4.195 20 10 EICDRN Cc1cc(Br)cc(CNc2cccc(C3CC3)n2)c1O ZINC000816636139 1048846879 /nfs/dbraw/zinc/84/68/79/1048846879.db2.gz IJXFDOHORPEZOA-UHFFFAOYSA-N 0 0 333.229 4.348 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000921087628 1048849240 /nfs/dbraw/zinc/84/92/40/1048849240.db2.gz IOIKLBNHYLDPLS-INIZCTEOSA-N 0 0 342.458 4.119 20 10 EICDRN CC(=O)N(c1ccc(NCc2cccc(Cl)c2O)cc1)[C@@H]1C[C@@H]1C ZINC000816663748 1048851526 /nfs/dbraw/zinc/85/15/26/1048851526.db2.gz HNTHAWDVNHSQON-KPZWWZAWSA-N 0 0 344.842 4.419 20 10 EICDRN COCc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000174910112 1048877833 /nfs/dbraw/zinc/87/78/33/1048877833.db2.gz KSCQMJNGSIXUOQ-LFIBNONCSA-N 0 0 347.505 4.367 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000846619607 1048882709 /nfs/dbraw/zinc/88/27/09/1048882709.db2.gz GDFATTLKRJSYLH-INIZCTEOSA-N 0 0 336.407 4.027 20 10 EICDRN CSc1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001135795103 1048888611 /nfs/dbraw/zinc/88/86/11/1048888611.db2.gz GEILEBSJADNBOD-UHFFFAOYSA-N 0 0 331.418 4.287 20 10 EICDRN CN(c1ccc(CNC(=O)NCc2ccco2)cc1)C1CCCCC1 ZINC000921252214 1048893956 /nfs/dbraw/zinc/89/39/56/1048893956.db2.gz FQMAMPCZQJPHHB-UHFFFAOYSA-N 0 0 341.455 4.048 20 10 EICDRN Cc1cc(CNC(=O)/C=C\c2ccc[nH]2)c(C)n1-c1cccc(C)c1 ZINC001170856529 1048907916 /nfs/dbraw/zinc/90/79/16/1048907916.db2.gz AEUJUOCXBZIMTN-KTKRTIGZSA-N 0 0 333.435 4.060 20 10 EICDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C(F)F)cc1F ZINC000846876337 1048933276 /nfs/dbraw/zinc/93/32/76/1048933276.db2.gz QCRDYQISMUZBQP-UHFFFAOYSA-N 0 0 336.357 4.068 20 10 EICDRN CCCOc1ccc(CCC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001146233021 1049010233 /nfs/dbraw/zinc/01/02/33/1049010233.db2.gz PDEAGWGZUFCFFK-UHFFFAOYSA-N 0 0 347.842 4.083 20 10 EICDRN COc1ccc(N(CCOc2ccccc2OC)CC(C)C)cc1 ZINC001171276157 1049014220 /nfs/dbraw/zinc/01/42/20/1049014220.db2.gz HSVCBAIMDUAFGU-UHFFFAOYSA-N 0 0 329.440 4.245 20 10 EICDRN Cc1cc(C(=O)Nc2cccc(C3CC3)n2)c(C)n1-c1ccccn1 ZINC000817773668 1049035917 /nfs/dbraw/zinc/03/59/17/1049035917.db2.gz RYGHPKSWDRDMPP-UHFFFAOYSA-N 0 0 332.407 4.014 20 10 EICDRN C[C@H](Nc1ccc2c(c1)CCN2)c1cc(Br)ccc1O ZINC000817950389 1049064164 /nfs/dbraw/zinc/06/41/64/1049064164.db2.gz VGXLZXYBGGGTMI-JTQLQIEISA-N 0 0 333.229 4.296 20 10 EICDRN CC[C@@H]1CCCCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817946336 1049064688 /nfs/dbraw/zinc/06/46/88/1049064688.db2.gz WSFGGCUYSGPNGL-MRXNPFEDSA-N 0 0 343.496 4.111 20 10 EICDRN CC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000818036077 1049082813 /nfs/dbraw/zinc/08/28/13/1049082813.db2.gz NXBAONALNDLSES-INIZCTEOSA-N 0 0 340.467 4.341 20 10 EICDRN Cc1ccsc1C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001147122056 1049087728 /nfs/dbraw/zinc/08/77/28/1049087728.db2.gz UVOIUBBBMWFURU-QGZVFWFLSA-N 0 0 329.465 4.432 20 10 EICDRN CC[C@@H](Nc1ccc(COCCO)cc1)c1cccc(Cl)c1O ZINC000818361283 1049148820 /nfs/dbraw/zinc/14/88/20/1049148820.db2.gz IDFOFPXDYOLTHH-QGZVFWFLSA-N 0 0 335.831 4.118 20 10 EICDRN CC[C@H](Nc1ccc(COCCO)cc1)c1cccc(Cl)c1O ZINC000818361281 1049150865 /nfs/dbraw/zinc/15/08/65/1049150865.db2.gz IDFOFPXDYOLTHH-KRWDZBQOSA-N 0 0 335.831 4.118 20 10 EICDRN CC(C)c1cc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)no1 ZINC001147487725 1049174593 /nfs/dbraw/zinc/17/45/93/1049174593.db2.gz UARKAGXIIVRPHF-UHFFFAOYSA-N 0 0 335.407 4.227 20 10 EICDRN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c(O)c1O ZINC001136151783 1049186713 /nfs/dbraw/zinc/18/67/13/1049186713.db2.gz RYEDEQKEBCPNLM-IBGZPJMESA-N 0 0 347.414 4.120 20 10 EICDRN Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC001147881874 1049234576 /nfs/dbraw/zinc/23/45/76/1049234576.db2.gz PCTPAWYMQRARJR-HDICACEKSA-N 0 0 342.870 4.476 20 10 EICDRN CCc1ccc(-c2ccc(C(=O)NCc3cc(C)ccc3O)o2)cc1 ZINC001147957049 1049248153 /nfs/dbraw/zinc/24/81/53/1049248153.db2.gz NDWKOGMHOZCKOW-UHFFFAOYSA-N 0 0 335.403 4.453 20 10 EICDRN Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(O)c2O)cc1C ZINC001148218636 1049279284 /nfs/dbraw/zinc/27/92/84/1049279284.db2.gz JBLZPNUTJVSTRO-KRWDZBQOSA-N 0 0 325.408 4.082 20 10 EICDRN COc1ccc(N(C)Cc2coc(-c3ccc(C)cc3)n2)cc1OC ZINC000064517715 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Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)c(N)c1Cl ZINC001136312874 1049459912 /nfs/dbraw/zinc/45/99/12/1049459912.db2.gz WEVGJLASZMFFCY-UHFFFAOYSA-N 0 0 329.831 4.083 20 10 EICDRN Cc1ccc(CCCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773005781 1049517377 /nfs/dbraw/zinc/51/73/77/1049517377.db2.gz CYERUBGMSPJORJ-OAHLLOKOSA-N 0 0 330.497 4.323 20 10 EICDRN C[C@@H](NC(=O)/C=C\c1ccc(Cl)s1)c1ccc(N(C)C)cc1 ZINC000773010329 1049525285 /nfs/dbraw/zinc/52/52/85/1049525285.db2.gz OGSJVOFEXRBIKA-UCQJPZFISA-N 0 0 334.872 4.358 20 10 EICDRN Cc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(-c2ccccc2)o1 ZINC000773017558 1049527794 /nfs/dbraw/zinc/52/77/94/1049527794.db2.gz UKWBKHRPMFPYIF-AWEZNQCLSA-N 0 0 349.434 4.207 20 10 EICDRN C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1 ZINC000773019739 1049533142 /nfs/dbraw/zinc/53/31/42/1049533142.db2.gz QGRRDWQAGRSIBL-LBPRGKRZSA-N 0 0 347.256 4.006 20 10 EICDRN CC[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000773016287 1049533904 /nfs/dbraw/zinc/53/39/04/1049533904.db2.gz 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CC[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524689 1051706655 /nfs/dbraw/zinc/70/66/55/1051706655.db2.gz WDLJRRLPVTXVLB-OIBJUYFYSA-N 0 0 346.176 4.053 20 10 EICDRN CCOc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775536100 1051757005 /nfs/dbraw/zinc/75/70/05/1051757005.db2.gz JCPMAJMXOLOMSY-CQSZACIVSA-N 0 0 327.428 4.034 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000775535650 1051760875 /nfs/dbraw/zinc/76/08/75/1051760875.db2.gz CULXHTKOZAYHTQ-NXEZZACHSA-N 0 0 346.176 4.317 20 10 EICDRN C[C@H](C(=O)N1CCc2cccc(O)c2C1)c1ccc(F)c2ccccc21 ZINC001183502746 1051856817 /nfs/dbraw/zinc/85/68/17/1051856817.db2.gz QJCCFMNKSYDEES-AWEZNQCLSA-N 0 0 349.405 4.373 20 10 EICDRN COc1ccc(Nc2ccc(Cc3ccc(N)cc3)cc2)cc1CO ZINC001175985732 1051860093 /nfs/dbraw/zinc/86/00/93/1051860093.db2.gz ABXKVYSONMXGKZ-UHFFFAOYSA-N 0 0 334.419 4.104 20 10 EICDRN CCc1ccc(C(C)(C)C(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001183513320 1051860462 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O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Oc1ccccc1 ZINC001194214102 1052106997 /nfs/dbraw/zinc/10/69/97/1052106997.db2.gz WQFMJSFKYVZCFS-UHFFFAOYSA-N 0 0 343.338 4.073 20 10 EICDRN CCN(CC)c1ccc(CNc2ncnc3scc(C)c32)cc1 ZINC001184926420 1052131803 /nfs/dbraw/zinc/13/18/03/1052131803.db2.gz GRAZBTTYSQCQGM-UHFFFAOYSA-N 0 0 326.469 4.458 20 10 EICDRN Brc1cc2ncnc(Sc3nccs3)c2s1 ZINC001184982774 1052139663 /nfs/dbraw/zinc/13/96/63/1052139663.db2.gz NJQJPOAUODHSNG-UHFFFAOYSA-N 0 0 330.257 4.062 20 10 EICDRN CCOc1cc(N(c2ccc(N)cc2)c2ccc(N)cc2)c(F)cn1 ZINC001176604025 1052155594 /nfs/dbraw/zinc/15/55/94/1052155594.db2.gz QUIUDBJERJWNHI-UHFFFAOYSA-N 0 0 338.386 4.254 20 10 EICDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])c1cc2cnccc2o1 ZINC001205667776 1052166132 /nfs/dbraw/zinc/16/61/32/1052166132.db2.gz PHEPLLTWFGXYHK-JTQLQIEISA-N 0 0 347.212 4.147 20 10 EICDRN Oc1ccccc1CNc1nc(-c2ccccn2)nc2sccc21 ZINC001185098815 1052167211 /nfs/dbraw/zinc/16/72/11/1052167211.db2.gz SVRLLPYFHCMGDH-UHFFFAOYSA-N 0 0 334.404 4.071 20 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COc1ccsc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O ZINC000764413488 1053097844 /nfs/dbraw/zinc/09/78/44/1053097844.db2.gz KLRQPUXPUYENIT-ZROIWOOFSA-N 0 0 347.486 4.471 20 10 EICDRN O=[S@@](c1ccc(NCc2cc(Cl)ccc2O)cc1)C(F)(F)F ZINC000864007708 1053129840 /nfs/dbraw/zinc/12/98/40/1053129840.db2.gz QZAYLVFVEDNNTL-QFIPXVFZSA-N 0 0 349.761 4.285 20 10 EICDRN COC(=O)CCc1cccc(NCc2c(O)cc(C)cc2Cl)c1 ZINC000864011336 1053137986 /nfs/dbraw/zinc/13/79/86/1053137986.db2.gz XCAGFRAHFRPMJG-UHFFFAOYSA-N 0 0 333.815 4.072 20 10 EICDRN CC(C)[C@H](O)[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850395443 1053163769 /nfs/dbraw/zinc/16/37/69/1053163769.db2.gz SHEFINXWIGCDKL-ROUUACIJSA-N 0 0 337.822 4.033 20 10 EICDRN CCOc1cccc(CNc2ccc(N3CCCC3)c(F)c2)c1O ZINC000119802012 1053191732 /nfs/dbraw/zinc/19/17/32/1053191732.db2.gz JLABHEXHRQHCPY-UHFFFAOYSA-N 0 0 330.403 4.142 20 10 EICDRN Cc1cc(C(=O)N2CC(C(F)F)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000764725919 1053281474 /nfs/dbraw/zinc/28/14/74/1053281474.db2.gz CQHSRFGZTJIFMI-UHFFFAOYSA-N 0 0 332.394 4.048 20 10 EICDRN CC[C@H]([NH2+]CC1CCC(O)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850553381 1053307810 /nfs/dbraw/zinc/30/78/10/1053307810.db2.gz WTDZOOQRJODDOX-QHAMSDLMSA-N 0 0 332.271 4.291 20 10 EICDRN C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1cc(F)cc(F)c1[O-] ZINC000850569936 1053322501 /nfs/dbraw/zinc/32/25/01/1053322501.db2.gz NVBZNBHYUNIOLA-MRVPVSSYSA-N 0 0 347.283 4.262 20 10 EICDRN CC[C@H]([NH2+][C@H](C)c1nccn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000850573236 1053327405 /nfs/dbraw/zinc/32/74/05/1053327405.db2.gz XLHHKOLCKXBVIO-RNCFNFMXSA-N 0 0 328.243 4.234 20 10 EICDRN C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccccc1 ZINC000850584611 1053334552 /nfs/dbraw/zinc/33/45/52/1053334552.db2.gz RXOJDSPQTXLAEW-HWWQOWPSSA-N 0 0 339.357 4.184 20 10 EICDRN C[C@H](O)[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccccc1 ZINC000850584618 1053335278 /nfs/dbraw/zinc/33/52/78/1053335278.db2.gz RXOJDSPQTXLAEW-MKBNYLNASA-N 0 0 339.357 4.184 20 10 EICDRN C[N@H+](Cc1ccccc1N1CCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775646910 1053344542 /nfs/dbraw/zinc/34/45/42/1053344542.db2.gz LUOAGVOBYNAZTQ-UHFFFAOYSA-N 0 0 348.849 4.417 20 10 EICDRN C[C@@H]1CN(C(=O)c2ccccc2NN=C2C=CC(=O)C=C2)CCCO1 ZINC001195253932 1053346991 /nfs/dbraw/zinc/34/69/91/1053346991.db2.gz HKZRFKJDUDZOFS-YYZBOFOMSA-N 0 0 339.395 4.059 20 10 EICDRN Cc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cn1 ZINC000764892048 1053352380 /nfs/dbraw/zinc/35/23/80/1053352380.db2.gz RLDJFDGYNQIUNF-DHDCSXOGSA-N 0 0 326.446 4.104 20 10 EICDRN CO[C@@H]1CCCN(C(=O)c2ccccc2NN=C2C=CC(=O)C=C2)C1 ZINC001195265779 1053352608 /nfs/dbraw/zinc/35/26/08/1053352608.db2.gz LIODABGWCPJIKC-FVGNFYTDSA-N 0 0 339.395 4.059 20 10 EICDRN CSc1cccc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)c1 ZINC000101837918 1053354250 /nfs/dbraw/zinc/35/42/50/1053354250.db2.gz CKCKATFXPSMWHJ-ZHACJKMWSA-N 0 0 335.432 4.028 20 10 EICDRN C[C@@H]1CN(C(=O)c2ccccc2NN=C2C=CC(=O)C=C2)[C@@H](C)CO1 ZINC001195274169 1053356364 /nfs/dbraw/zinc/35/63/64/1053356364.db2.gz 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CC[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cccc(Cl)c1[O-] ZINC000806141992 1047166610 /nfs/dbraw/zinc/16/66/10/1047166610.db2.gz BLEVBWUURHMLSL-MRXNPFEDSA-N 0 0 325.880 4.419 20 10 EICDRN CC[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144079 1047167460 /nfs/dbraw/zinc/16/74/60/1047167460.db2.gz NVJAJPYJIUEHMW-HOTGVXAUSA-N 0 0 340.250 4.473 20 10 EICDRN CC[C@@H]([NH2+]C1CCC(C)(O)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806141275 1047168439 /nfs/dbraw/zinc/16/84/39/1047168439.db2.gz HMXXYUPMPLFFJT-OFWKBQFLSA-N 0 0 332.271 4.433 20 10 EICDRN CC[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806148670 1047173097 /nfs/dbraw/zinc/17/30/97/1047173097.db2.gz JQUOMIKQSLFDMB-LBPRGKRZSA-N 0 0 347.768 4.039 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000806176209 1047175714 /nfs/dbraw/zinc/17/57/14/1047175714.db2.gz JNXQUTJUXHKIAF-OLZOCXBDSA-N 0 0 343.377 4.268 20 10 EICDRN CC[C@H](Nc1cnn(Cc2ccccn2)c1)c1cccc(Cl)c1O ZINC000806154314 1047179830 /nfs/dbraw/zinc/17/98/30/1047179830.db2.gz DZTZCNYZVJMCFA-KRWDZBQOSA-N 0 0 342.830 4.249 20 10 EICDRN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(Cl)c1[O-] ZINC000806154205 1047180089 /nfs/dbraw/zinc/18/00/89/1047180089.db2.gz DOLQAWASJGKJQX-SIUPPRGNSA-N 0 0 335.875 4.434 20 10 EICDRN CC[C@H](Nc1ccc(CNC(C)=O)cc1)c1cccc(Cl)c1O ZINC000806156396 1047180147 /nfs/dbraw/zinc/18/01/47/1047180147.db2.gz BWSCDIOPLDRFRN-KRWDZBQOSA-N 0 0 332.831 4.245 20 10 EICDRN CC[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806160043 1047182943 /nfs/dbraw/zinc/18/29/43/1047182943.db2.gz DWKHMXUPCAMJQU-MJGOQNOKSA-N 0 0 333.859 4.384 20 10 EICDRN CC[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cccc(Cl)c1O ZINC000806157759 1047183357 /nfs/dbraw/zinc/18/33/57/1047183357.db2.gz ULTMVHLDCKXOIM-GUYCJALGSA-N 0 0 344.842 4.212 20 10 EICDRN CC[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000806160905 1047185299 /nfs/dbraw/zinc/18/52/99/1047185299.db2.gz LOCMERNFEAPPEN-LKTVYLICSA-N 0 0 332.271 4.291 20 10 EICDRN CC[C@@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806162363 1047186774 /nfs/dbraw/zinc/18/67/74/1047186774.db2.gz VLFASTDLZGEKPJ-VXGBXAGGSA-N 0 0 325.758 4.054 20 10 EICDRN C[C@@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000806182861 1047192652 /nfs/dbraw/zinc/19/26/52/1047192652.db2.gz FPMFGMXVONIKRS-KBPBESRZSA-N 0 0 335.394 4.316 20 10 EICDRN CC[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(C)cc1O ZINC000806179779 1047200963 /nfs/dbraw/zinc/20/09/63/1047200963.db2.gz HKCIOBZLMQWBNS-YJBOKZPZSA-N 0 0 333.859 4.171 20 10 EICDRN CC[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(C)cc1O ZINC000806179776 1047201438 /nfs/dbraw/zinc/20/14/38/1047201438.db2.gz HKCIOBZLMQWBNS-CRAIPNDOSA-N 0 0 333.859 4.171 20 10 EICDRN C[C@H](N[C@@H]1CCCC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000806180984 1047203837 /nfs/dbraw/zinc/20/38/37/1047203837.db2.gz UVKLWIKNPFPWPX-BLLLJJGKSA-N 0 0 344.833 4.015 20 10 EICDRN CO[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccccc1 ZINC000788561176 1047225154 /nfs/dbraw/zinc/22/51/54/1047225154.db2.gz FYGXBXIAOWTAFS-WBMJQRKESA-N 0 0 339.357 4.449 20 10 EICDRN CCNC(=O)Nc1cccc(NCc2cc(Cl)ccc2O)c1C ZINC000788530019 1047228948 /nfs/dbraw/zinc/22/89/48/1047228948.db2.gz VEJXMFUBJCQHEK-UHFFFAOYSA-N 0 0 333.819 4.108 20 10 EICDRN CC[C@@H](C)[C@@H](C)N(C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000746751903 1047243717 /nfs/dbraw/zinc/24/37/17/1047243717.db2.gz YMFNQAYMHXUAJS-IAGOWNOFSA-N 0 0 343.515 4.395 20 10 EICDRN CC[C@H](C)[C@@H](C)N(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000746754470 1047247037 /nfs/dbraw/zinc/24/70/37/1047247037.db2.gz KDUOBQZBXXDFMU-UONOGXRCSA-N 0 0 335.467 4.000 20 10 EICDRN COc1ccc(N2CCC(Nc3ccc(Cl)c(OC)c3)CC2)cc1 ZINC000788613280 1047249018 /nfs/dbraw/zinc/24/90/18/1047249018.db2.gz TXJRCUOHUVQNSJ-UHFFFAOYSA-N 0 0 346.858 4.438 20 10 EICDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C2CCCCC2)cc1 ZINC000917998231 1047266901 /nfs/dbraw/zinc/26/69/01/1047266901.db2.gz DQVFNPZTDPWUOA-LJQANCHMSA-N 0 0 329.488 4.007 20 10 EICDRN CCC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)c1ccccn1 ZINC000806510229 1047273758 /nfs/dbraw/zinc/27/37/58/1047273758.db2.gz MCYQNQRESGRXLD-LJQANCHMSA-N 0 0 339.483 4.128 20 10 EICDRN C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000788752910 1047287511 /nfs/dbraw/zinc/28/75/11/1047287511.db2.gz XPWHPVXDQBTUHZ-STQMWFEESA-N 0 0 331.378 4.411 20 10 EICDRN Cc1cc(C)c([C@H](C)Nc2cccc(N3CCNC3=O)c2C)c(O)c1 ZINC000788795548 1047303140 /nfs/dbraw/zinc/30/31/40/1047303140.db2.gz LWMGXDHLPLQCFB-HNNXBMFYSA-N 0 0 339.439 4.020 20 10 EICDRN C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@@H]1c1ccccc1 ZINC000154629850 1047304190 /nfs/dbraw/zinc/30/41/90/1047304190.db2.gz LCPUSILTQRKGPM-HIFRSBDPSA-N 0 0 347.509 4.028 20 10 EICDRN C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@H]1c1ccccc1 ZINC000154630081 1047305932 /nfs/dbraw/zinc/30/59/32/1047305932.db2.gz LCPUSILTQRKGPM-UKRRQHHQSA-N 0 0 347.509 4.028 20 10 EICDRN CCCCC[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918055901 1047307258 /nfs/dbraw/zinc/30/72/58/1047307258.db2.gz LNWSXBFXGVARCL-MRXNPFEDSA-N 0 0 331.504 4.395 20 10 EICDRN CCOC(=O)c1csc(/C=C/c2ccc(N3CCCCC3)cc2)n1 ZINC000806562774 1047309274 /nfs/dbraw/zinc/30/92/74/1047309274.db2.gz MKRSTUVPOZOWSW-DHZHZOJOSA-N 0 0 342.464 4.481 20 10 EICDRN CCc1oc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C ZINC000760321427 1047316951 /nfs/dbraw/zinc/31/69/51/1047316951.db2.gz QQSCADCLUQIYJV-UHFFFAOYSA-N 0 0 340.467 4.413 20 10 EICDRN C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000788824808 1047320053 /nfs/dbraw/zinc/32/00/53/1047320053.db2.gz WJLURZGMUHUUEW-WFASDCNBSA-N 0 0 343.389 4.411 20 10 EICDRN CCC(=O)c1ccc(C(=O)NCc2ccc(N(CC)CC)cc2)cc1 ZINC000760382830 1047347108 /nfs/dbraw/zinc/34/71/08/1047347108.db2.gz LMMALWPHVBWKOA-UHFFFAOYSA-N 0 0 338.451 4.056 20 10 EICDRN C[C@H](N[C@H](C1CC1)C(F)(F)F)c1cc(Br)ccc1O ZINC000806662020 1047347126 /nfs/dbraw/zinc/34/71/26/1047347126.db2.gz HJVXGOQYVWSURV-JVXZTZIISA-N 0 0 338.167 4.146 20 10 EICDRN C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(Br)cc1O ZINC000806661873 1047347763 /nfs/dbraw/zinc/34/77/63/1047347763.db2.gz FVTDRVHCKNLGRI-MADCSZMMSA-N 0 0 338.167 4.146 20 10 EICDRN CCCCS[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918152625 1047360798 /nfs/dbraw/zinc/36/07/98/1047360798.db2.gz MGDHDUPCIWXNQN-HNNXBMFYSA-N 0 0 334.529 4.165 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000918186653 1047372562 /nfs/dbraw/zinc/37/25/62/1047372562.db2.gz PUMIUUCEJWTVMC-AWEZNQCLSA-N 0 0 331.485 4.155 20 10 EICDRN CC[C@@H](C)N(C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000918199982 1047377155 /nfs/dbraw/zinc/37/71/55/1047377155.db2.gz LUHROFPLNVXKQR-OAHLLOKOSA-N 0 0 327.472 4.077 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2cccc(O)c2)cc1 ZINC000918334911 1047405439 /nfs/dbraw/zinc/40/54/39/1047405439.db2.gz UYAAPQHZBPZFRI-UHFFFAOYSA-N 0 0 334.419 4.072 20 10 EICDRN COc1cc(Cl)cc(CNc2cccc3c2OC(C)(C)C3)c1O ZINC000789594033 1047445406 /nfs/dbraw/zinc/44/54/06/1047445406.db2.gz IVXWLKNDSMCYEG-UHFFFAOYSA-N 0 0 333.815 4.380 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000789769985 1047469501 /nfs/dbraw/zinc/46/95/01/1047469501.db2.gz QAEDMSJLPZYGKN-AWEZNQCLSA-N 0 0 348.849 4.191 20 10 EICDRN Cc1cc(C(=O)NCC(C)C)ccc1NCc1c(O)cccc1Cl ZINC000789891344 1047481019 /nfs/dbraw/zinc/48/10/19/1047481019.db2.gz VOXLPFXSHIHYQC-UHFFFAOYSA-N 0 0 346.858 4.352 20 10 EICDRN O=C(Nc1cccc2cc(Br)cnc21)C1=CC(=O)CS1 ZINC000807672036 1047482655 /nfs/dbraw/zinc/48/26/55/1047482655.db2.gz YFBISMPGXNVHMT-UHFFFAOYSA-N 0 0 349.209 4.017 20 10 EICDRN Cc1sc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nc1C(C)C ZINC000790035738 1047503140 /nfs/dbraw/zinc/50/31/40/1047503140.db2.gz LMQKKGYXHADVDC-ZDUSSCGKSA-N 0 0 345.512 4.061 20 10 EICDRN Cc1cc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)ccn1 ZINC000790009732 1047503711 /nfs/dbraw/zinc/50/37/11/1047503711.db2.gz KBTLNCCPKARWQO-QGZVFWFLSA-N 0 0 346.430 4.499 20 10 EICDRN CN(C)c1ccc(/C=C2\SC(=S)N(c3ccsc3)C2=O)cc1 ZINC000790108551 1047513424 /nfs/dbraw/zinc/51/34/24/1047513424.db2.gz TZHZJNFJHHSLPM-ZROIWOOFSA-N 0 0 346.502 4.220 20 10 EICDRN Oc1cc(F)c(F)cc1CN1CCC[C@H]1c1ccc(F)cc1F ZINC001142527276 1047527425 /nfs/dbraw/zinc/52/74/25/1047527425.db2.gz RBHSZPGKBMYOLQ-INIZCTEOSA-N 0 0 325.305 4.286 20 10 EICDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(Oc2cccnc2)cc1 ZINC000807899144 1047532417 /nfs/dbraw/zinc/53/24/17/1047532417.db2.gz AWAMNROOUBVCGB-LBPRGKRZSA-N 0 0 340.404 4.132 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC000918625307 1047552359 /nfs/dbraw/zinc/55/23/59/1047552359.db2.gz XRRQMFPBNDZZPY-UHFFFAOYSA-N 0 0 340.254 4.098 20 10 EICDRN Oc1cc(F)c(F)cc1CN1Cc2nc(-c3ccccc3)sc2C1 ZINC001142534505 1047556717 /nfs/dbraw/zinc/55/67/17/1047556717.db2.gz LXPSFDBWGSCYKI-UHFFFAOYSA-N 0 0 344.386 4.310 20 10 EICDRN Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])c(C)c1 ZINC000898218450 1047569988 /nfs/dbraw/zinc/56/99/88/1047569988.db2.gz HHYPLZBFTCAGMI-CQSZACIVSA-N 0 0 346.858 4.169 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(C)c(C)n1 ZINC001626115718 1047572672 /nfs/dbraw/zinc/57/26/72/1047572672.db2.gz NAMMHKVLARUDAB-UHFFFAOYSA-N 0 0 339.464 4.097 20 10 EICDRN CCCn1c2ccccc2nc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219882 1047572958 /nfs/dbraw/zinc/57/29/58/1047572958.db2.gz OMFDMYUEUCGDFX-UHFFFAOYSA-N 0 0 329.831 4.095 20 10 EICDRN Cc1cc(C(=O)N(C)C[C@H]2CCCCO2)c(C)n1-c1ccccc1C ZINC000918685600 1047584410 /nfs/dbraw/zinc/58/44/10/1047584410.db2.gz YRGIBNDIHKWFHS-GOSISDBHSA-N 0 0 340.467 4.044 20 10 EICDRN CCc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000790415240 1047585223 /nfs/dbraw/zinc/58/52/23/1047585223.db2.gz BYCDCDQQALWIHI-UHFFFAOYSA-N 0 0 346.235 4.062 20 10 EICDRN C[C@@]1(C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)CC=CCC1 ZINC001142540788 1047585717 /nfs/dbraw/zinc/58/57/17/1047585717.db2.gz NEUOZWNLCHTSRH-XFTXKQSOSA-N 0 0 335.411 4.352 20 10 EICDRN CCc1nnc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)s1 ZINC000918680362 1047596008 /nfs/dbraw/zinc/59/60/08/1047596008.db2.gz OUIMTRXVWDLBDR-UHFFFAOYSA-N 0 0 340.452 4.069 20 10 EICDRN 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[O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001180686939 1051062483 /nfs/dbraw/zinc/06/24/83/1051062483.db2.gz JLBOTXMCOOZSBY-UHFFFAOYSA-N 0 0 342.197 4.063 20 10 EICDRN CC(C)(O)c1cncc(Nc2cccc3c2C(=O)c2ccccc2-3)c1 ZINC001174594836 1051074332 /nfs/dbraw/zinc/07/43/32/1051074332.db2.gz PSSHGCUPDMMJLU-UHFFFAOYSA-N 0 0 330.387 4.264 20 10 EICDRN CN(C)c1ccc(/C=C/CN2CCOc3c(Cl)cccc32)cc1 ZINC001180977903 1051125662 /nfs/dbraw/zinc/12/56/62/1051125662.db2.gz VFZDUFYNBCYHQJ-SNAWJCMRSA-N 0 0 328.843 4.318 20 10 EICDRN CCOc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OCC ZINC000775363528 1051129838 /nfs/dbraw/zinc/12/98/38/1051129838.db2.gz JEOVVQSDFYBYIZ-MRXNPFEDSA-N 0 0 342.483 4.401 20 10 EICDRN CC1(C)Cc2cccc(NCc3ccc(Br)cc3O)c2O1 ZINC001181464768 1051232708 /nfs/dbraw/zinc/23/27/08/1051232708.db2.gz PJFZGJBBNYVUQF-UHFFFAOYSA-N 0 0 348.240 4.480 20 10 EICDRN CSc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775409686 1051272032 /nfs/dbraw/zinc/27/20/32/1051272032.db2.gz 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ZINC001175273302 1051511821 /nfs/dbraw/zinc/51/18/21/1051511821.db2.gz RHVOUJGBCABHMV-UHFFFAOYSA-N 0 0 332.403 4.394 20 10 EICDRN C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000774249412 1051522024 /nfs/dbraw/zinc/52/20/24/1051522024.db2.gz JRVSSUGEXGOIEG-LBPRGKRZSA-N 0 0 333.888 4.454 20 10 EICDRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000774251423 1051523479 /nfs/dbraw/zinc/52/34/79/1051523479.db2.gz QKSANDAHWQMSEW-HNNXBMFYSA-N 0 0 327.497 4.417 20 10 EICDRN Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774259129 1051532604 /nfs/dbraw/zinc/53/26/04/1051532604.db2.gz PVRFIIMWXCXAOK-TVQRCGJNSA-N 0 0 346.279 4.453 20 10 EICDRN COc1c(C)ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000775483538 1051553658 /nfs/dbraw/zinc/55/36/58/1051553658.db2.gz XRNNQZDJVYGWIG-HNNXBMFYSA-N 0 0 341.455 4.261 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775490317 1051576060 /nfs/dbraw/zinc/57/60/60/1051576060.db2.gz BSYNPPVIKNJFLT-KGLIPLIRSA-N 0 0 331.287 4.080 20 10 EICDRN CNC(=O)c1cc(Nc2ccc(N=Nc3ccccc3)cc2)ccn1 ZINC001175412605 1051579090 /nfs/dbraw/zinc/57/90/90/1051579090.db2.gz PHBSJMCAJDSKOA-WCWDXBQESA-N 0 0 331.379 4.022 20 10 EICDRN C[S@](=O)c1ccc(Nc2ccccc2Cc2ccc(N)cc2)cc1 ZINC001175478979 1051606060 /nfs/dbraw/zinc/60/60/60/1051606060.db2.gz KUGVWXVUVHJNFP-DEOSSOPVSA-N 0 0 336.460 4.341 20 10 EICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1nccn1C(C)C ZINC001182469245 1051606666 /nfs/dbraw/zinc/60/66/66/1051606666.db2.gz AFXWONMIEXTPMK-KRWDZBQOSA-N 0 0 327.472 4.308 20 10 EICDRN C[S@](=O)c1ccc(Nc2ccc(Cc3ccc(N)cc3)cc2)cc1 ZINC001175485164 1051611820 /nfs/dbraw/zinc/61/18/20/1051611820.db2.gz VHYZGBFPHCMJRQ-DEOSSOPVSA-N 0 0 336.460 4.341 20 10 EICDRN COc1ccc(N(Cc2ncc(C)c(OC)c2C)C(C)C)cc1F ZINC001192139577 1051647064 /nfs/dbraw/zinc/64/70/64/1051647064.db2.gz GMIYCUDGANMTTB-UHFFFAOYSA-N 0 0 332.419 4.270 20 10 EICDRN CCc1oc(C(=O)OC)cc1CN(c1ccc(OC)c(F)c1)C(C)C ZINC001192139730 1051649507 /nfs/dbraw/zinc/64/95/07/1051649507.db2.gz 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COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(C(C)C)c2)c1 ZINC000775568450 1051864977 /nfs/dbraw/zinc/86/49/77/1051864977.db2.gz OBZFHOKQNSJOMK-AWEZNQCLSA-N 0 0 327.424 4.153 20 10 EICDRN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(O)c(O)c1Cl ZINC001193230545 1051893902 /nfs/dbraw/zinc/89/39/02/1051893902.db2.gz UMCHHNNYILDYAP-UHFFFAOYSA-N 0 0 339.778 4.255 20 10 EICDRN Cc1cc(NC(=O)c2ccc(O)c(O)c2Cl)cc(C(F)(F)F)c1 ZINC001193230556 1051894028 /nfs/dbraw/zinc/89/40/28/1051894028.db2.gz UXSQUBAVOWFCHY-UHFFFAOYSA-N 0 0 345.704 4.331 20 10 EICDRN C[C@@H]1Cc2cc(NCc3ccc(Br)cc3O)ccc2O1 ZINC001184077301 1051950052 /nfs/dbraw/zinc/95/00/52/1051950052.db2.gz PESBMKSNPFYGII-SNVBAGLBSA-N 0 0 334.213 4.090 20 10 EICDRN COC(=O)c1cnc(/C=C/c2ccc(N3CCCCC3)cc2)s1 ZINC000072084367 1051964256 /nfs/dbraw/zinc/96/42/56/1051964256.db2.gz VRZPXMFLJAOWGG-JXMROGBWSA-N 0 0 328.437 4.090 20 10 EICDRN C[C@H](C(=O)N(Cc1ccccc1)c1ccc(N)cc1)c1ccc(O)cc1 ZINC001184283691 1051988753 /nfs/dbraw/zinc/98/87/53/1051988753.db2.gz 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CC[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1cccc(Cl)c1[O-] ZINC000850500467 1053259568 /nfs/dbraw/zinc/25/95/68/1053259568.db2.gz HBLSZGIHHHWGIP-QGZVFWFLSA-N 0 0 345.874 4.282 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])c1cscn1 ZINC000850511441 1053267366 /nfs/dbraw/zinc/26/73/66/1053267366.db2.gz FBTRHYVCYFQBEV-JGVFFNPUSA-N 0 0 345.237 4.162 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)Nc2c(C)cccc2F)cc1 ZINC000764695390 1053270436 /nfs/dbraw/zinc/27/04/36/1053270436.db2.gz YDUYALJGXCMAOQ-UHFFFAOYSA-N 0 0 329.419 4.302 20 10 EICDRN C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cc(F)cc(F)c1[O-] ZINC000850520958 1053279166 /nfs/dbraw/zinc/27/91/66/1053279166.db2.gz KHVXLSYRPNVNOA-SNVBAGLBSA-N 0 0 337.341 4.202 20 10 EICDRN C[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000101769364 1053323257 /nfs/dbraw/zinc/32/32/57/1053323257.db2.gz BXXIJHVROLOHHG-QAPCUYQASA-N 0 0 342.439 4.276 20 10 EICDRN CSc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)co1 ZINC000864636887 1053329448 /nfs/dbraw/zinc/32/94/48/1053329448.db2.gz 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ZINC000858453798 1054493666 /nfs/dbraw/zinc/49/36/66/1054493666.db2.gz YXJHDDUTTGFOBL-UHFFFAOYSA-N 0 0 336.426 4.119 20 10 EICDRN CC[C@@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858475059 1054496252 /nfs/dbraw/zinc/49/62/52/1054496252.db2.gz XAYDKQOAWVHKGS-ZWNOBZJWSA-N 0 0 344.238 4.002 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000858546521 1054511294 /nfs/dbraw/zinc/51/12/94/1054511294.db2.gz BGBLYHOCZUWLRK-NOLJZWGESA-N 0 0 329.362 4.019 20 10 EICDRN S=C(NCc1ccc(N2CCCCC2)cc1)NC1CCCCCC1 ZINC001199976551 1054511559 /nfs/dbraw/zinc/51/15/59/1054511559.db2.gz URMZRXRFTNXOTO-UHFFFAOYSA-N 0 0 345.556 4.364 20 10 EICDRN C[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(N(C)C)cc1 ZINC000777035988 1054515248 /nfs/dbraw/zinc/51/52/48/1054515248.db2.gz BOLOOQSIAOSDTP-IERDGZPVSA-N 0 0 340.467 4.484 20 10 EICDRN COCCOCc1ccc(N[C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000858549878 1054515318 /nfs/dbraw/zinc/51/53/18/1054515318.db2.gz FMBOUIXVVKRMSR-MRXNPFEDSA-N 0 0 329.440 4.345 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(Cl)cc1OC ZINC000776079108 1054527286 /nfs/dbraw/zinc/52/72/86/1054527286.db2.gz ZANZZXABTRXXKW-UHFFFAOYSA-N 0 0 348.830 4.498 20 10 EICDRN C[C@@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858582906 1054529369 /nfs/dbraw/zinc/52/93/69/1054529369.db2.gz UUEYBZOGQAEFFK-QLJPJBMISA-N 0 0 332.787 4.292 20 10 EICDRN Cc1ccc(NC(=S)NC(C)(C)C)c(C(=O)c2ccccc2)c1 ZINC001200908974 1054571493 /nfs/dbraw/zinc/57/14/93/1054571493.db2.gz NBPUHCHIVZWYBM-UHFFFAOYSA-N 0 0 326.465 4.311 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000105742601 1054587887 /nfs/dbraw/zinc/58/78/87/1054587887.db2.gz WUTYIBCNJOOURY-UHFFFAOYSA-N 0 0 339.414 4.035 20 10 EICDRN CC(C)c1ccc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC000873801957 1054590638 /nfs/dbraw/zinc/59/06/38/1054590638.db2.gz CQISBBTYHAVKCI-UHFFFAOYSA-N 0 0 338.411 4.245 20 10 EICDRN CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874005477 1054610977 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/nfs/dbraw/zinc/45/61/87/1048456187.db2.gz WLLSMDURXICLCZ-UHFFFAOYSA-N 0 0 349.430 4.215 20 10 EICDRN Cc1cccc(CNc2ccc(F)cc2OC2CCOCC2)c1O ZINC000809695228 1048459579 /nfs/dbraw/zinc/45/95/79/1048459579.db2.gz DHJYXHZZSWVAHF-UHFFFAOYSA-N 0 0 331.387 4.010 20 10 EICDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000809728882 1048481376 /nfs/dbraw/zinc/48/13/76/1048481376.db2.gz KEDKUQRRSDULSP-INIZCTEOSA-N 0 0 347.256 4.195 20 10 EICDRN CCCN(CCC)c1ccc(CN2CCC[C@@H]2c2nc(C)no2)cc1 ZINC000809721707 1048496958 /nfs/dbraw/zinc/49/69/58/1048496958.db2.gz YDPHNHGIDFKYHX-LJQANCHMSA-N 0 0 342.487 4.342 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1scnc1C1CC1 ZINC000809774908 1048505915 /nfs/dbraw/zinc/50/59/15/1048505915.db2.gz UQRBIVRQKFHWFC-UHFFFAOYSA-N 0 0 329.252 4.323 20 10 EICDRN CCOc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1O ZINC000809775973 1048507386 /nfs/dbraw/zinc/50/73/86/1048507386.db2.gz NFVXVYZHAXKQFS-UHFFFAOYSA-N 0 0 342.222 4.093 20 10 EICDRN C[C@@H]([NH2+]CCCc1nccs1)c1cccc(C(F)(F)F)c1[O-] ZINC000815594491 1048526948 /nfs/dbraw/zinc/52/69/48/1048526948.db2.gz PXJKUEYDMDUZJV-SNVBAGLBSA-N 0 0 330.375 4.151 20 10 EICDRN C[C@H]([NH2+]CCCc1nccs1)c1cccc(C(F)(F)F)c1[O-] ZINC000815594490 1048527927 /nfs/dbraw/zinc/52/79/27/1048527927.db2.gz PXJKUEYDMDUZJV-JTQLQIEISA-N 0 0 330.375 4.151 20 10 EICDRN Oc1cc(OCc2ccccc2)ccc1CN[C@@H]1CCCC1(F)F ZINC000809780147 1048530589 /nfs/dbraw/zinc/53/05/89/1048530589.db2.gz NENSEUXEDLCAFJ-GOSISDBHSA-N 0 0 333.378 4.249 20 10 EICDRN CN1c2ccccc2N(Cc2ccc(N3CCCCC3)cc2)CCC1=O ZINC000809786100 1048532122 /nfs/dbraw/zinc/53/21/22/1048532122.db2.gz OUUBBRQHKBMXDJ-UHFFFAOYSA-N 0 0 349.478 4.050 20 10 EICDRN C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815617870 1048543999 /nfs/dbraw/zinc/54/39/99/1048543999.db2.gz XBTDOHYFKIGSKZ-YMRXKLBXSA-N 0 0 343.389 4.267 20 10 EICDRN CO[C@@H](CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C(F)(F)F ZINC000815619141 1048546888 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Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc([C@@H](C)O)cc2)cc1 ZINC000920270371 1048619035 /nfs/dbraw/zinc/61/90/35/1048619035.db2.gz WBVJMQZCODQGCA-QGZVFWFLSA-N 0 0 348.446 4.077 20 10 EICDRN C/C(=C/C(=O)NCc1cc(C)n(-c2ccccc2)c1C)c1ccco1 ZINC001132048038 1048624501 /nfs/dbraw/zinc/62/45/01/1048624501.db2.gz GJKVALWENYVOFY-QINSGFPZSA-N 0 0 334.419 4.407 20 10 EICDRN C[C@@H]1CCCC[C@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000920437151 1048681845 /nfs/dbraw/zinc/68/18/45/1048681845.db2.gz LCVXGUNSIPOGOM-AEFFLSMTSA-N 0 0 346.540 4.072 20 10 EICDRN CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810222977 1048692901 /nfs/dbraw/zinc/69/29/01/1048692901.db2.gz AUXVNXPNZLUGRX-JMSVASOKSA-N 0 0 331.378 4.267 20 10 EICDRN Cc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)c(O)c1O ZINC001135411596 1048704833 /nfs/dbraw/zinc/70/48/33/1048704833.db2.gz FQNDEBQAPYRRHK-UHFFFAOYSA-N 0 0 335.359 4.451 20 10 EICDRN CC[C@H]([NH2+][C@H](CO)C1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000810259644 1048712513 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ZINC000845991488 1048776399 /nfs/dbraw/zinc/77/63/99/1048776399.db2.gz UVCAQMJOBLFXEG-SNVBAGLBSA-N 0 0 326.259 4.375 20 10 EICDRN Cc1cc(CNC(=O)c2cc(F)ccc2C)c(C)n1-c1ccccc1 ZINC001132264375 1048784630 /nfs/dbraw/zinc/78/46/30/1048784630.db2.gz OWOAAOKSJCBHSM-UHFFFAOYSA-N 0 0 336.410 4.472 20 10 EICDRN CCOc1cccc(CNc2cc(Cl)c(OC)c(OC)c2)c1O ZINC000846048379 1048807648 /nfs/dbraw/zinc/80/76/48/1048807648.db2.gz DXJYSPVEKOPBFU-UHFFFAOYSA-N 0 0 337.803 4.074 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC001135601633 1048813816 /nfs/dbraw/zinc/81/38/16/1048813816.db2.gz NGEJTDMSFSBXAL-UHFFFAOYSA-N 0 0 348.402 4.384 20 10 EICDRN Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])s1 ZINC000816506618 1048821231 /nfs/dbraw/zinc/82/12/31/1048821231.db2.gz IIXPBMKOBMBFIX-SECBINFHSA-N 0 0 328.840 4.451 20 10 EICDRN COc1cccc([C@@H](C)Nc2cc(F)c(N3CCCC3)c(F)c2)c1O ZINC000846160109 1048825696 /nfs/dbraw/zinc/82/56/96/1048825696.db2.gz SJXUGDFHRLEDFK-GFCCVEGCSA-N 0 0 348.393 4.452 20 10 EICDRN COc1cccc([C@@H](C)Nc2cccc(C(=O)NC(C)(C)C)c2)c1O ZINC000846160688 1048825747 /nfs/dbraw/zinc/82/57/47/1048825747.db2.gz WVQWYOTYFIACJW-CYBMUJFWSA-N 0 0 342.439 4.102 20 10 EICDRN CCOc1ccc(OCC)c(N[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846160991 1048826052 /nfs/dbraw/zinc/82/60/52/1048826052.db2.gz YGGVXJDGVUQFST-ZDUSSCGKSA-N 0 0 331.412 4.371 20 10 EICDRN COc1cccc([C@H](C)Nc2ccc(N3CCSCC3)cc2)c1O ZINC000846162264 1048826494 /nfs/dbraw/zinc/82/64/94/1048826494.db2.gz KAIFESHNKLOGRM-AWEZNQCLSA-N 0 0 344.480 4.127 20 10 EICDRN COc1cccc([C@H](C)Nc2ccc(OC[C@H]3CCCO3)cc2)c1O ZINC000846162289 1048826823 /nfs/dbraw/zinc/82/68/23/1048826823.db2.gz KMVARBVFLKIUGI-WMLDXEAASA-N 0 0 343.423 4.132 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000816544516 1048826753 /nfs/dbraw/zinc/82/67/53/1048826753.db2.gz KTVDBVRACKLUCU-UHFFFAOYSA-N 0 0 332.762 4.130 20 10 EICDRN Oc1c(CNc2ccc(N3CCC(O)CC3)cc2)ccc2ccccc21 ZINC000816522455 1048828029 /nfs/dbraw/zinc/82/80/29/1048828029.db2.gz AAZBKRXFDHWSRO-UHFFFAOYSA-N 0 0 348.446 4.119 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000816548109 1048828433 /nfs/dbraw/zinc/82/84/33/1048828433.db2.gz UZIFEHXALIGRIT-LJQANCHMSA-N 0 0 342.801 4.459 20 10 EICDRN C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816548422 1048828651 /nfs/dbraw/zinc/82/86/51/1048828651.db2.gz HFKPCIHCEIKYBA-CZUORRHYSA-N 0 0 348.849 4.110 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000816529200 1048831152 /nfs/dbraw/zinc/83/11/52/1048831152.db2.gz KHXDESOPKYKRIQ-LJQANCHMSA-N 0 0 342.801 4.459 20 10 EICDRN CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589007 1048832898 /nfs/dbraw/zinc/83/28/98/1048832898.db2.gz IPCVONFFEQEXHY-GFCCVEGCSA-N 0 0 325.733 4.348 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1OCC1CC1 ZINC000816552138 1048833101 /nfs/dbraw/zinc/83/31/01/1048833101.db2.gz BVCKPHDJBRDTAZ-UHFFFAOYSA-N 0 0 335.806 4.263 20 10 EICDRN CC(C)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H](O)c1ccccc1 ZINC000816594386 1048833164 /nfs/dbraw/zinc/83/31/64/1048833164.db2.gz BJYAGMFJEQNKKT-QZTJIDSGSA-N 0 0 337.822 4.033 20 10 EICDRN CC(C)(C)OC(=O)CCCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816553872 1048834532 /nfs/dbraw/zinc/83/45/32/1048834532.db2.gz JBMVWFXVNWIIKH-UHFFFAOYSA-N 0 0 345.842 4.176 20 10 EICDRN CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816560767 1048835308 /nfs/dbraw/zinc/83/53/08/1048835308.db2.gz ZURIGXPQDNQEEH-QGHHPUGFSA-N 0 0 341.785 4.190 20 10 EICDRN CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)[C@H](C)CO1 ZINC001144733540 1048835639 /nfs/dbraw/zinc/83/56/39/1048835639.db2.gz AZMLHTBHVMGLPR-SJLPKXTDSA-N 0 0 340.467 4.042 20 10 EICDRN CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)[C@H](C)CO1 ZINC001144733538 1048835854 /nfs/dbraw/zinc/83/58/54/1048835854.db2.gz AZMLHTBHVMGLPR-AEFFLSMTSA-N 0 0 340.467 4.042 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000816564592 1048837095 /nfs/dbraw/zinc/83/70/95/1048837095.db2.gz KSFXPSFVLAKSQF-OAHLLOKOSA-N 0 0 339.769 4.327 20 10 EICDRN C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000846188565 1048838202 /nfs/dbraw/zinc/83/82/02/1048838202.db2.gz QBLSZAGECLCTAD-ZBEGNZNMSA-N 0 0 343.389 4.267 20 10 EICDRN COc1cccc(CN2CC[C@H](C(F)(F)F)c3ccccc32)c1O ZINC000816630025 1048840291 /nfs/dbraw/zinc/84/02/91/1048840291.db2.gz LLXNZHUUJSXBRV-AWEZNQCLSA-N 0 0 337.341 4.457 20 10 EICDRN COc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)c3ccccc32)c1 ZINC000816630068 1048840991 /nfs/dbraw/zinc/84/09/91/1048840991.db2.gz NNTDYWMJCCXRLC-OAHLLOKOSA-N 0 0 337.341 4.457 20 10 EICDRN COCc1ccnc(N[C@@H](C)c2cc(Cl)c(Cl)cc2O)c1 ZINC000846213279 1048841352 /nfs/dbraw/zinc/84/13/52/1048841352.db2.gz QYKWNGSNNNOFGS-VIFPVBQESA-N 0 0 327.211 4.414 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000816631003 1048845174 /nfs/dbraw/zinc/84/51/74/1048845174.db2.gz AZXQTRSMLYUPHA-SFHVURJKSA-N 0 0 349.833 4.178 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000816650766 1048848478 /nfs/dbraw/zinc/84/84/78/1048848478.db2.gz BGXOBKMBGHKQQI-UHFFFAOYSA-N 0 0 349.711 4.215 20 10 EICDRN CC(=O)N(c1ccc(NCc2cc(Cl)cc(F)c2O)cc1)C1CC1 ZINC000816661792 1048852132 /nfs/dbraw/zinc/85/21/32/1048852132.db2.gz XTTUFUGEAMRNSV-UHFFFAOYSA-N 0 0 348.805 4.312 20 10 EICDRN Nc1ccc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2F)cc1 ZINC000846311263 1048856530 /nfs/dbraw/zinc/85/65/30/1048856530.db2.gz VMULAGCWCARAIU-QGZVFWFLSA-N 0 0 327.403 4.037 20 10 EICDRN CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806146009 1048858817 /nfs/dbraw/zinc/85/88/17/1048858817.db2.gz QKPFBGLSFXFAEN-CYBMUJFWSA-N 0 0 347.286 4.045 20 10 EICDRN Fc1c(Cl)cccc1NNC(=S)Nc1ccc2c(c1)CCC2 ZINC000921143796 1048864679 /nfs/dbraw/zinc/86/46/79/1048864679.db2.gz PHIGRRHMHUIZJY-UHFFFAOYSA-N 0 0 335.835 4.281 20 10 EICDRN CC[C@H](C)[C@H](C)N(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC001144848730 1048868275 /nfs/dbraw/zinc/86/82/75/1048868275.db2.gz GDKFXIIUAYVADR-QWRGUYRKSA-N 0 0 333.453 4.352 20 10 EICDRN Cc1cc(C(=O)N2CC[C@@]3(CC3(F)F)C2)c(C)n1-c1ccc(F)cc1 ZINC000846619206 1048882452 /nfs/dbraw/zinc/88/24/52/1048882452.db2.gz FOTZJVQNDSQKKV-GOSISDBHSA-N 0 0 348.368 4.105 20 10 EICDRN Cc1cc(C(=O)N2CC[C@]3(CC3(F)F)C2)c(C)n1-c1cccc(C)c1 ZINC000846619088 1048882506 /nfs/dbraw/zinc/88/25/06/1048882506.db2.gz CEFCTFIVEYPKID-IBGZPJMESA-N 0 0 344.405 4.274 20 10 EICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1nccc2ccccc21 ZINC001135800947 1048890921 /nfs/dbraw/zinc/89/09/21/1048890921.db2.gz XIBHYKFHMBEJRZ-UHFFFAOYSA-N 0 0 345.446 4.107 20 10 EICDRN Cc1ccc(C(=O)NCC2(c3ccccc3)CCCCC2)c(O)c1O ZINC001135903937 1048955763 /nfs/dbraw/zinc/95/57/63/1048955763.db2.gz NOTVRHFPYOHACE-UHFFFAOYSA-N 0 0 339.435 4.038 20 10 EICDRN Cc1ccncc1/C=C/C(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000817482248 1048978904 /nfs/dbraw/zinc/97/89/04/1048978904.db2.gz KXNHWOQERLNTKL-MOEXGYKKSA-N 0 0 346.352 4.486 20 10 EICDRN O=C(Nc1cccc2c1CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC001135999442 1049039371 /nfs/dbraw/zinc/03/93/71/1049039371.db2.gz LSCQZVWPVZJKIC-UHFFFAOYSA-N 0 0 339.416 4.444 20 10 EICDRN Cc1c(C)n(C)c2ccc(OC(=O)CSCc3cscn3)cc12 ZINC000817761449 1049041005 /nfs/dbraw/zinc/04/10/05/1049041005.db2.gz MYBZBSHUUDJTBN-UHFFFAOYSA-N 0 0 346.477 4.090 20 10 EICDRN C[C@H]1CC(CNC(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)C1 ZINC001146634301 1049042048 /nfs/dbraw/zinc/04/20/48/1049042048.db2.gz IGLDDBVOTUQKBP-GHMZBOCLSA-N 0 0 333.453 4.115 20 10 EICDRN CCC(CC)CN(CC)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817918202 1049059905 /nfs/dbraw/zinc/05/99/05/1049059905.db2.gz WYVRVLPAFVWOMK-UHFFFAOYSA-N 0 0 345.512 4.214 20 10 EICDRN Cc1cc(N)cc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])c1 ZINC000817981085 1049077369 /nfs/dbraw/zinc/07/73/69/1049077369.db2.gz PVELLBPJRDMULX-SNVBAGLBSA-N 0 0 325.239 4.440 20 10 EICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCCC34CCC4)ccc21 ZINC000347482511 1049081308 /nfs/dbraw/zinc/08/13/08/1049081308.db2.gz KOWHUPFHGRPTSC-UHFFFAOYSA-N 0 0 340.467 4.063 20 10 EICDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(O)ccc1Cl ZINC000811500334 1049112492 /nfs/dbraw/zinc/11/24/92/1049112492.db2.gz ADQYYJCYWNMPRY-UHFFFAOYSA-N 0 0 333.815 4.194 20 10 EICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(C(C)C)cn1 ZINC000811501263 1049113939 /nfs/dbraw/zinc/11/39/39/1049113939.db2.gz VFHBQGLEZXLUBH-UHFFFAOYSA-N 0 0 326.440 4.353 20 10 EICDRN CCN(Cc1ccccc1)c1ccc(CNc2ccc(CO)cn2)cc1 ZINC000811501642 1049115998 /nfs/dbraw/zinc/11/59/98/1049115998.db2.gz QTEAFAAJMNKHEN-UHFFFAOYSA-N 0 0 347.462 4.213 20 10 EICDRN CC(C)(C)c1cc(CN2CCn3cncc3C2)c(O)c(C(C)(C)C)c1 ZINC000811514665 1049129323 /nfs/dbraw/zinc/12/93/23/1049129323.db2.gz BYBZUUSSGWETMG-UHFFFAOYSA-N 0 0 341.499 4.200 20 10 EICDRN CN(C)c1ccc(CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000818510652 1049161837 /nfs/dbraw/zinc/16/18/37/1049161837.db2.gz ALXKOBXAEVYSLI-UHFFFAOYSA-N 0 0 337.345 4.093 20 10 EICDRN Cc1ccc(O)c(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)c1 ZINC001147956308 1049247719 /nfs/dbraw/zinc/24/77/19/1049247719.db2.gz BXIVPXNRIXWPSS-UHFFFAOYSA-N 0 0 343.854 4.482 20 10 EICDRN COc1ccc(O)c(CNc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000811806330 1049272889 /nfs/dbraw/zinc/27/28/89/1049272889.db2.gz RGBYVTXGMIZITK-UHFFFAOYSA-N 0 0 330.384 4.276 20 10 EICDRN Cc1ccccc1Oc1ccccc1NC(=O)c1cccc(O)c1O ZINC001148218887 1049280623 /nfs/dbraw/zinc/28/06/23/1049280623.db2.gz MFTYZCWPYDAJQD-UHFFFAOYSA-N 0 0 335.359 4.451 20 10 EICDRN CC(C)c1ccccc1OC[C@@H](O)CNc1ccccc1OCCF ZINC000819489088 1049331993 /nfs/dbraw/zinc/33/19/93/1049331993.db2.gz REUHJRGQZKDSHQ-INIZCTEOSA-N 0 0 347.430 4.010 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)c(F)c1C ZINC001148600968 1049335655 /nfs/dbraw/zinc/33/56/55/1049335655.db2.gz LCBPIPVOVBPFQN-UHFFFAOYSA-N 0 0 332.394 4.002 20 10 EICDRN C[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000772993446 1049347826 /nfs/dbraw/zinc/34/78/26/1049347826.db2.gz HSCWYFMWKDARMN-CQSZACIVSA-N 0 0 346.471 4.002 20 10 EICDRN C[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000772993042 1049353890 /nfs/dbraw/zinc/35/38/90/1049353890.db2.gz FIXXUVLFQKSRPK-CFVMTHIKSA-N 0 0 342.405 4.299 20 10 EICDRN C[C@H](NC(=O)CCOc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000772994241 1049372644 /nfs/dbraw/zinc/37/26/44/1049372644.db2.gz LLUFMWHKHMRAGA-AWEZNQCLSA-N 0 0 346.858 4.052 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)c2nc(C)cs2)cc1 ZINC000819974884 1049392600 /nfs/dbraw/zinc/39/26/00/1049392600.db2.gz SSWCFSPYONZBIP-OAHLLOKOSA-N 0 0 345.512 4.060 20 10 EICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000819978384 1049394740 /nfs/dbraw/zinc/39/47/40/1049394740.db2.gz CATKJGAHLCUFIZ-RLLQIKCJSA-N 0 0 326.484 4.072 20 10 EICDRN CCOC(=O)/C(=C/c1ccc(N(CC)CC)cc1)c1ccnc(F)c1 ZINC000812247140 1049401858 /nfs/dbraw/zinc/40/18/58/1049401858.db2.gz DTEJAARNOHGNBU-QGOAFFKASA-N 0 0 342.414 4.171 20 10 EICDRN C/C(=C\C(=O)N(C)Cc1ccccc1O)c1ccccc1OC(F)F ZINC000175537524 1049466769 /nfs/dbraw/zinc/46/67/69/1049466769.db2.gz MVPMUINFSGCQJK-ACCUITESSA-N 0 0 347.361 4.056 20 10 EICDRN Fc1ccccc1NNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000812475300 1049489351 /nfs/dbraw/zinc/48/93/51/1049489351.db2.gz XSTXVUZNPKWWRY-UHFFFAOYSA-N 0 0 330.215 4.446 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)cc1N ZINC001136335964 1049494702 /nfs/dbraw/zinc/49/47/02/1049494702.db2.gz WGAOJEHWPWIQAS-UHFFFAOYSA-N 0 0 345.874 4.039 20 10 EICDRN C[C@H](CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1F ZINC000773000926 1049517422 /nfs/dbraw/zinc/51/74/22/1049517422.db2.gz RAPQISWWVFIOPS-HUUCEWRRSA-N 0 0 328.431 4.263 20 10 EICDRN C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccc(N(C)C)cc1 ZINC000773007762 1049521186 /nfs/dbraw/zinc/52/11/86/1049521186.db2.gz JHPCXKKGDNVBIS-CXAGYDPISA-N 0 0 328.481 4.111 20 10 EICDRN C[C@H](NC(=O)[C@@H](C)c1cn(C)c2ccccc12)c1ccc(N(C)C)cc1 ZINC000773013089 1049522183 /nfs/dbraw/zinc/52/21/83/1049522183.db2.gz ICROAVLLMUBVIH-HOTGVXAUSA-N 0 0 349.478 4.225 20 10 EICDRN C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(N(C)C)cc1 ZINC000773010222 1049522469 /nfs/dbraw/zinc/52/24/69/1049522469.db2.gz 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CS(=O)(=O)c1ccccc1Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001173991044 1050668451 /nfs/dbraw/zinc/66/84/51/1050668451.db2.gz HXPRKWPYJIHENS-UHFFFAOYSA-N 0 0 349.411 4.045 20 10 EICDRN Cc1ccc(-c2nnc(NCc3c(O)ccc(Cl)c3F)o2)s1 ZINC000775157083 1050669370 /nfs/dbraw/zinc/66/93/70/1050669370.db2.gz AYGNIUPFZNLQOL-UHFFFAOYSA-N 0 0 339.779 4.217 20 10 EICDRN CSc1cccc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001188042759 1050674524 /nfs/dbraw/zinc/67/45/24/1050674524.db2.gz NQMDDJCODLUYKU-UHFFFAOYSA-N 0 0 329.469 4.138 20 10 EICDRN Cc1ccc(Nc2ccc(C(N)=O)cc2)c(C(=O)c2ccccc2)c1 ZINC001174053033 1050692227 /nfs/dbraw/zinc/69/22/27/1050692227.db2.gz SYNXDOFXZVLARB-UHFFFAOYSA-N 0 0 330.387 4.069 20 10 EICDRN Cc1cc(C)nc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c1 ZINC001188142505 1050709740 /nfs/dbraw/zinc/70/97/40/1050709740.db2.gz TUJRWQBTXIQHFE-UHFFFAOYSA-N 0 0 331.419 4.128 20 10 EICDRN COc1ncccc1Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001174044159 1050718687 /nfs/dbraw/zinc/71/86/87/1050718687.db2.gz VAZFGEUQWKRGQS-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/87/93/27/1050879327.db2.gz MDOOZRHPWYLMMG-GXDHUFHOSA-N 0 0 331.419 4.261 20 10 EICDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@H](F)c1ccccc1 ZINC001180141243 1050886582 /nfs/dbraw/zinc/88/65/82/1050886582.db2.gz POOAJJBFYOSWAC-VNMIOBOBSA-N 0 0 349.369 4.316 20 10 EICDRN Cc1cc(C(=O)CS[C@H]2CCCOC2)c(C)n1-c1cccc(C)c1 ZINC001189113203 1050901405 /nfs/dbraw/zinc/90/14/05/1050901405.db2.gz XATUIGYCKOATGG-SFHVURJKSA-N 0 0 343.492 4.497 20 10 EICDRN O=C(C[C@@H]1CCCc2ccccc21)NCc1cccc(Cl)c1O ZINC001180410204 1050992321 /nfs/dbraw/zinc/99/23/21/1050992321.db2.gz MDAFLAOWCPKBGN-AWEZNQCLSA-N 0 0 329.827 4.172 20 10 EICDRN Cc1ccc(/C=C/S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1 ZINC000775291714 1051040812 /nfs/dbraw/zinc/04/08/12/1051040812.db2.gz NVNCIRYBXQKZFY-MDZDMXLPSA-N 0 0 331.437 4.038 20 10 EICDRN CCc1cccc(CC)c1NC(=O)NCc1c(C)cc(C)cc1O ZINC001189786351 1051064345 /nfs/dbraw/zinc/06/43/45/1051064345.db2.gz CVJFPFDAGYETQP-UHFFFAOYSA-N 0 0 326.440 4.456 20 10 EICDRN CCN1CCN(Cc2ccc(Br)cc2O)c2ccccc21 ZINC001180733446 1051068748 /nfs/dbraw/zinc/06/87/48/1051068748.db2.gz XHOXDZLYIFXYNT-UHFFFAOYSA-N 0 0 347.256 4.001 20 10 EICDRN COC(=O)[C@H](Sc1ncc(Cl)s1)c1cccc(Cl)c1 ZINC001189832392 1051073249 /nfs/dbraw/zinc/07/32/49/1051073249.db2.gz MBSCPAMVHDIWMJ-SNVBAGLBSA-N 0 0 334.249 4.456 20 10 EICDRN COc1cc(C)cc(CN2CC3(CCC3)c3c2cccc3F)c1O ZINC001180723593 1051075103 /nfs/dbraw/zinc/07/51/03/1051075103.db2.gz KIPOGOSRDAJZKI-UHFFFAOYSA-N 0 0 327.399 4.290 20 10 EICDRN COc1ccc(N(c2ccc(N)cc2)c2cnc(C3CC3)nc2)cc1 ZINC001174618448 1051085343 /nfs/dbraw/zinc/08/53/43/1051085343.db2.gz XQAONVBJLSDAPA-UHFFFAOYSA-N 0 0 332.407 4.415 20 10 EICDRN CC(C)(C(=O)NCc1ccccc1O)c1ccccc1C(F)(F)F ZINC001180886610 1051093190 /nfs/dbraw/zinc/09/31/90/1051093190.db2.gz KSUUBOPYEDIEAO-UHFFFAOYSA-N 0 0 337.341 4.005 20 10 EICDRN C[C@H](NCc1csc(-c2ccccn2)n1)c1ccc(N(C)C)cc1 ZINC000775362508 1051129420 /nfs/dbraw/zinc/12/94/20/1051129420.db2.gz HPWBDXUGGMEXNX-AWEZNQCLSA-N 0 0 338.480 4.122 20 10 EICDRN CN(C)c1cc(F)c(CN2CC[C@@](F)(c3ccccc3)C2)cc1F ZINC001181214204 1051188064 /nfs/dbraw/zinc/18/80/64/1051188064.db2.gz ROBLFTMFOJHQAA-IBGZPJMESA-N 0 0 334.385 4.102 20 10 EICDRN COc1ccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc1C ZINC001174828497 1051192214 /nfs/dbraw/zinc/19/22/14/1051192214.db2.gz XLYGKONDIBYBCC-SMLNAYLFSA-N 0 0 333.395 4.271 20 10 EICDRN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccc(Br)cc1 ZINC001181266008 1051193631 /nfs/dbraw/zinc/19/36/31/1051193631.db2.gz GSVCARWXBNECBX-SECBINFHSA-N 0 0 342.183 4.284 20 10 EICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]1CCc2ccccc21 ZINC001181765987 1051301789 /nfs/dbraw/zinc/30/17/89/1051301789.db2.gz IMKMTMNTSTUPQB-DYESRHJHSA-N 0 0 349.474 4.479 20 10 EICDRN CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775432751 1051345240 /nfs/dbraw/zinc/34/52/40/1051345240.db2.gz LLZZXNMYHNILIG-CQSZACIVSA-N 0 0 327.428 4.034 20 10 EICDRN Cc1cc(CN2CCOC[C@@H]2c2ccco2)ccc1N1CCCCC1 ZINC001191040430 1051347659 /nfs/dbraw/zinc/34/76/59/1051347659.db2.gz XAXWPTZSWCJOCU-HXUWFJFHSA-N 0 0 340.467 4.152 20 10 EICDRN Cc1cc(Br)c([O-])c(C[N@H+](C)CCc2ccccc2C)c1 ZINC001182021551 1051384399 /nfs/dbraw/zinc/38/43/99/1051384399.db2.gz XPIBHIZHNQWXTE-UHFFFAOYSA-N 0 0 348.284 4.446 20 10 EICDRN O=C(NCc1cc(Cl)c2cccnc2c1O)NC1CCCCCC1 ZINC001191279021 1051414127 /nfs/dbraw/zinc/41/41/27/1051414127.db2.gz LDWZYLRLDPLAIS-UHFFFAOYSA-N 0 0 347.846 4.116 20 10 EICDRN C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773987606 1051417001 /nfs/dbraw/zinc/41/70/01/1051417001.db2.gz FMDCHDKVRAGZQT-PLFFATQSSA-N 0 0 326.415 4.172 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cc(O)cc(Cl)c1 ZINC001182196734 1051422676 /nfs/dbraw/zinc/42/26/76/1051422676.db2.gz VHFHARNYCMOEIP-UHFFFAOYSA-N 0 0 332.614 4.348 20 10 EICDRN COc1cc(F)c(F)cc1NCc1ccc(Br)cc1O ZINC001182196945 1051423202 /nfs/dbraw/zinc/42/32/02/1051423202.db2.gz ZOHCIDCJGOENJM-UHFFFAOYSA-N 0 0 344.155 4.054 20 10 EICDRN Cc1cc(C(=O)NC2CC3(CSC3)C2)c(C)n1-c1cccc(C)c1 ZINC001175180912 1051432938 /nfs/dbraw/zinc/43/29/38/1051432938.db2.gz RTIOWNJPINMCAM-UHFFFAOYSA-N 0 0 340.492 4.028 20 10 EICDRN CCCCCCOc1ccc(N(CCO)c2ccc(N)cc2)cc1 ZINC001175190108 1051441744 /nfs/dbraw/zinc/44/17/44/1051441744.db2.gz GVGDFTLMUWKFPK-UHFFFAOYSA-N 0 0 328.456 4.358 20 10 EICDRN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])cc1 ZINC000774134932 1051476700 /nfs/dbraw/zinc/47/67/00/1051476700.db2.gz NTVDPVLUCVZOBV-GTNSWQLSSA-N 0 0 340.250 4.392 20 10 EICDRN CC(=O)c1ccc(F)c(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001175279363 1051479365 /nfs/dbraw/zinc/47/93/65/1051479365.db2.gz YJFISOUANNNGCF-UHFFFAOYSA-N 0 0 334.350 4.398 20 10 EICDRN CCC(C)(C)NC(=S)N(Cc1ccco1)Cc1ccccc1O ZINC000774151299 1051484127 /nfs/dbraw/zinc/48/41/27/1051484127.db2.gz XAMPSCHLYOKWNA-UHFFFAOYSA-N 0 0 332.469 4.051 20 10 EICDRN Nc1ccc(N(CCO)c2ccc(C(F)(F)F)c(Cl)c2)cc1 ZINC001175260630 1051497666 /nfs/dbraw/zinc/49/76/66/1051497666.db2.gz DZBIVOCIDRQUNS-UHFFFAOYSA-N 0 0 330.737 4.071 20 10 EICDRN Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774183606 1051505153 /nfs/dbraw/zinc/50/51/53/1051505153.db2.gz NHDICFFBOMQVKY-GTNSWQLSSA-N 0 0 340.250 4.392 20 10 EICDRN CC(=O)c1ccc(F)c(-n2c(N)c(N=Nc3ccccc3)ccc2=N)c1 ZINC001175270759 1051508796 /nfs/dbraw/zinc/50/87/96/1051508796.db2.gz NEMUXDCRSJVMDQ-JNVQNEIGSA-N 0 0 349.369 4.296 20 10 EICDRN CCC1(O)CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774233033 1051510273 /nfs/dbraw/zinc/51/02/73/1051510273.db2.gz NHLSOEJHTMMKIO-SGWRBKMISA-N 0 0 332.271 4.433 20 10 EICDRN C[C@@H]([NH2+]CCCNc1ccccn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774217219 1051515828 /nfs/dbraw/zinc/51/58/28/1051515828.db2.gz LDOREBFYANTDPA-LLVKDONJSA-N 0 0 340.254 4.247 20 10 EICDRN CCc1ccccc1NC(=S)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774253949 1051526710 /nfs/dbraw/zinc/52/67/10/1051526710.db2.gz GXHBQHJKQFJHQM-CQSZACIVSA-N 0 0 327.497 4.363 20 10 EICDRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000774253861 1051526955 /nfs/dbraw/zinc/52/69/55/1051526955.db2.gz GGIFYRLBBVXUDY-HNNXBMFYSA-N 0 0 327.497 4.417 20 10 EICDRN CC[C@H](NC(=S)N[C@@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC000774259897 1051531162 /nfs/dbraw/zinc/53/11/62/1051531162.db2.gz YOHQXMRJMZXJOX-BBRMVZONSA-N 0 0 347.553 4.491 20 10 EICDRN C[C@@H](NC(=S)N[C@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC000774259718 1051531307 /nfs/dbraw/zinc/53/13/07/1051531307.db2.gz XFMFEQDPLNJTQL-CHWSQXEVSA-N 0 0 333.526 4.100 20 10 EICDRN C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774270505 1051538658 /nfs/dbraw/zinc/53/86/58/1051538658.db2.gz FFKIWHCSSFWRFZ-WDEREUQCSA-N 0 0 346.254 4.035 20 10 EICDRN Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)ccc1O ZINC001191756229 1051539524 /nfs/dbraw/zinc/53/95/24/1051539524.db2.gz TUSANLLNQKSOCL-UHFFFAOYSA-N 0 0 346.235 4.117 20 10 EICDRN Fc1cc(Br)cnc1NCCCSc1nccs1 ZINC000775478635 1051542350 /nfs/dbraw/zinc/54/23/50/1051542350.db2.gz RLXKNWGHPXZDRA-UHFFFAOYSA-N 0 0 348.266 4.034 20 10 EICDRN COc1ccc(N(CCc2ccccc2)CC[C@@H]2CCCO2)cc1 ZINC001191891737 1051578863 /nfs/dbraw/zinc/57/88/63/1051578863.db2.gz KWWYHDADLNJCEQ-NRFANRHFSA-N 0 0 325.452 4.313 20 10 EICDRN CC[C@H]([NH2+][C@H](C)Cn1ccnc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775491578 1051588453 /nfs/dbraw/zinc/58/84/53/1051588453.db2.gz FEYPPBXHCHVABG-MFKMUULPSA-N 0 0 328.243 4.025 20 10 EICDRN CC[C@H]([NH2+]CCCn1ccnc1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775492877 1051591842 /nfs/dbraw/zinc/59/18/42/1051591842.db2.gz PVGLXMVKKJLWHF-AWEZNQCLSA-N 0 0 342.270 4.335 20 10 EICDRN Cc1c2c[nH]nc2ccc1Nc1ccccc1C(=O)c1ccncc1 ZINC001175466943 1051600584 /nfs/dbraw/zinc/60/05/84/1051600584.db2.gz GEIJDEAFJCOOMB-UHFFFAOYSA-N 0 0 328.375 4.241 20 10 EICDRN COc1ccc(N(Cc2cc3n(n2)CCCC3)Cc2ccccc2)cc1 ZINC001192062694 1051628600 /nfs/dbraw/zinc/62/86/00/1051628600.db2.gz ZCSVINUNLHJBOW-UHFFFAOYSA-N 0 0 347.462 4.435 20 10 EICDRN CCOC(=O)CN(Cc1ccc(C(C)C)cc1)c1ccc(OC)cc1 ZINC001192069991 1051629977 /nfs/dbraw/zinc/62/99/77/1051629977.db2.gz FSQXFGFHFXZTQJ-UHFFFAOYSA-N 0 0 341.451 4.388 20 10 EICDRN CC[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513774 1051662098 /nfs/dbraw/zinc/66/20/98/1051662098.db2.gz MISSACXLXSZHDX-ZDUSSCGKSA-N 0 0 329.202 4.474 20 10 EICDRN CCOc1ccc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC001192412402 1051726333 /nfs/dbraw/zinc/72/63/33/1051726333.db2.gz HRNRIBKPBSXPBW-INIZCTEOSA-N 0 0 328.431 4.108 20 10 EICDRN CC[C@@H](Nc1cccc(N2CCNC2=O)c1)c1cc(Cl)ccc1O ZINC000775533949 1051744705 /nfs/dbraw/zinc/74/47/05/1051744705.db2.gz SYMRVMBFXFRPGL-MRXNPFEDSA-N 0 0 345.830 4.138 20 10 EICDRN CCOc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000775533985 1051745158 /nfs/dbraw/zinc/74/51/58/1051745158.db2.gz ADRZBJOLLHAZPR-HNNXBMFYSA-N 0 0 341.455 4.342 20 10 EICDRN CC[C@H](Nc1cccc(N2CCOCC2)c1)c1cc(Cl)ccc1O ZINC000775533695 1051746179 /nfs/dbraw/zinc/74/61/79/1051746179.db2.gz MHOXQNNUCKJWSR-SFHVURJKSA-N 0 0 346.858 4.445 20 10 EICDRN Cc1cc([C@@H]2CC[N@H+](Cc3cccc(F)c3[O-])C2)c(O)cc1Cl ZINC001183026103 1051774377 /nfs/dbraw/zinc/77/43/77/1051774377.db2.gz WXOHLSIEQLOECC-GFCCVEGCSA-N 0 0 335.806 4.188 20 10 EICDRN CC[C@H](Nc1ccc(OC)cn1)c1cc(Br)ccc1O ZINC000775540156 1051784903 /nfs/dbraw/zinc/78/49/03/1051784903.db2.gz KCVVLPOZJQYGEL-ZDUSSCGKSA-N 0 0 337.217 4.122 20 10 EICDRN CC[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc(Cl)ccc1O ZINC000775548060 1051809325 /nfs/dbraw/zinc/80/93/25/1051809325.db2.gz WSYNOQNEMKGCMF-CXAGYDPISA-N 0 0 344.842 4.212 20 10 EICDRN O=C(c1ccccn1)c1cc(Cl)ccc1Nc1ccc(F)cn1 ZINC001175852994 1051821044 /nfs/dbraw/zinc/82/10/44/1051821044.db2.gz ZOMLDRDFAXVZPD-UHFFFAOYSA-N 0 0 327.746 4.244 20 10 EICDRN C[C@@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237783947 1051900896 /nfs/dbraw/zinc/90/08/96/1051900896.db2.gz MONPPGFSHGGLBP-MRVPVSSYSA-N 0 0 338.167 4.015 20 10 EICDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1ccc(N(C)C)cc1 ZINC001193448962 1051921022 /nfs/dbraw/zinc/92/10/22/1051921022.db2.gz YPRLFTHAQGYFFU-MGPUTAFESA-N 0 0 344.886 4.368 20 10 EICDRN C[C@@H](NC(=O)Nc1cccc2c1ccn2C)c1ccc(N(C)C)cc1 ZINC000775594452 1051926455 /nfs/dbraw/zinc/92/64/55/1051926455.db2.gz XAABVAAUUVJHHL-CQSZACIVSA-N 0 0 336.439 4.127 20 10 EICDRN Cc1c(C(=O)N2CC=CC2)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193559702 1051952722 /nfs/dbraw/zinc/95/27/22/1051952722.db2.gz NNTUOXFLTNNEOB-UHFFFAOYSA-N 0 0 328.415 4.465 20 10 EICDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1 ZINC001184579776 1052047414 /nfs/dbraw/zinc/04/74/14/1052047414.db2.gz FQLKORWYAWEPQF-UHFFFAOYSA-N 0 0 346.386 4.480 20 10 EICDRN Nc1ccc(N(Cc2ccccc2)c2ccc3c(c2)CC(=O)N3)cc1 ZINC001176430053 1052052864 /nfs/dbraw/zinc/05/28/64/1052052864.db2.gz ATLGCTRFSUNECN-UHFFFAOYSA-N 0 0 329.403 4.102 20 10 EICDRN CCCCCCc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001176526747 1052110460 /nfs/dbraw/zinc/11/04/60/1052110460.db2.gz XNWBPHZNSRUKIB-UHFFFAOYSA-N 0 0 346.496 4.489 20 10 EICDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1cc2cnccc2o1 ZINC001205667779 1052165228 /nfs/dbraw/zinc/16/52/28/1052165228.db2.gz PHEPLLTWFGXYHK-SNVBAGLBSA-N 0 0 347.212 4.147 20 10 EICDRN CC[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774818256 1052167086 /nfs/dbraw/zinc/16/70/86/1052167086.db2.gz DCAZGGZCCTXSPD-AWEZNQCLSA-N 0 0 344.411 4.110 20 10 EICDRN CC1(C)CC[C@H](C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)C1 ZINC001185157120 1052191942 /nfs/dbraw/zinc/19/19/42/1052191942.db2.gz WQIDQJSLNDVNTG-FTUXIPSISA-N 0 0 337.427 4.432 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N(C)Cc1ccccc1 ZINC000774840123 1052192625 /nfs/dbraw/zinc/19/26/25/1052192625.db2.gz QERBWOJCNLSKCZ-UHFFFAOYSA-N 0 0 339.483 4.215 20 10 EICDRN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773610590 1052232254 /nfs/dbraw/zinc/23/22/54/1052232254.db2.gz FBAYSUVJHGOJRV-ZIAGYGMSSA-N 0 0 331.485 4.244 20 10 EICDRN C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(F)cc1[O-] ZINC000184835810 1052246952 /nfs/dbraw/zinc/24/69/52/1052246952.db2.gz OKKGSMMGGXKLOJ-CJNGLKHVSA-N 0 0 334.460 4.081 20 10 EICDRN CCOc1cc(N(CC)Cc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC001185726131 1052287822 /nfs/dbraw/zinc/28/78/22/1052287822.db2.gz GEJSVNPDQGVXKI-UHFFFAOYSA-N 0 0 343.427 4.086 20 10 EICDRN CCN(Cc1cc(Br)ccc1O)c1nc2ccccc2o1 ZINC001185737683 1052290877 /nfs/dbraw/zinc/29/08/77/1052290877.db2.gz ZSXJUKVNIVHDQB-UHFFFAOYSA-N 0 0 347.212 4.322 20 10 EICDRN Cc1ccc([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c(O)c1 ZINC000185124252 1052446814 /nfs/dbraw/zinc/44/68/14/1052446814.db2.gz YLULHKWNDTXVHU-MRXNPFEDSA-N 0 0 343.442 4.239 20 10 EICDRN C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1cc(F)ccc1O ZINC000185592863 1052651502 /nfs/dbraw/zinc/65/15/02/1052651502.db2.gz HKTIJCOSAMLKSR-ZDUSSCGKSA-N 0 0 345.414 4.337 20 10 EICDRN CC[C@H](O)CCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000763947712 1052653502 /nfs/dbraw/zinc/65/35/02/1052653502.db2.gz CNHUMPIFJALDRW-KRWDZBQOSA-N 0 0 326.400 4.385 20 10 EICDRN C[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccc(F)cc1[O-] ZINC000185720737 1052685863 /nfs/dbraw/zinc/68/58/63/1052685863.db2.gz GFCLKIXKVPINPX-BDJLRTHQSA-N 0 0 331.412 4.130 20 10 EICDRN Cc1csc(C2(NCc3cc(C(C)(C)C)cc(O)c3O)CCC2)n1 ZINC000764112683 1053030721 /nfs/dbraw/zinc/03/07/21/1053030721.db2.gz JTNLGNINSFICDV-UHFFFAOYSA-N 0 0 346.496 4.329 20 10 EICDRN CCN(Cc1ccccc1)c1ccc(C=Cc2nccc(=O)[nH]2)cc1 ZINC000764442312 1053105611 /nfs/dbraw/zinc/10/56/11/1053105611.db2.gz NRJOPENAMUTBTM-JLHYYAGUSA-N 0 0 331.419 4.379 20 10 EICDRN O=[S@](c1ccc(NCc2cc(Cl)ccc2O)cc1)C(F)(F)F ZINC000864007707 1053127632 /nfs/dbraw/zinc/12/76/32/1053127632.db2.gz QZAYLVFVEDNNTL-JOCHJYFZSA-N 0 0 349.761 4.285 20 10 EICDRN CCc1cccc(NC(=S)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000007381139 1053129303 /nfs/dbraw/zinc/12/93/03/1053129303.db2.gz QALWXHOFXXEDQQ-UHFFFAOYSA-N 0 0 327.497 4.144 20 10 EICDRN COc1nccc2c(NCc3cc(Cl)cc(F)c3O)cccc21 ZINC000864015441 1053142686 /nfs/dbraw/zinc/14/26/86/1053142686.db2.gz OPXAJAFVGBKIBS-UHFFFAOYSA-N 0 0 332.762 4.354 20 10 EICDRN C[C@@H](Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1ccc(F)cc1O ZINC000864024297 1053158089 /nfs/dbraw/zinc/15/80/89/1053158089.db2.gz YNMXYAUNFHWQON-RFAUZJTJSA-N 0 0 329.293 4.300 20 10 EICDRN COc1ccc(N(C)Cc2ccc(Br)s2)cc1OC ZINC000109317019 1053160105 /nfs/dbraw/zinc/16/01/05/1053160105.db2.gz LJTBUQXPEGCRLN-UHFFFAOYSA-N 0 0 342.258 4.164 20 10 EICDRN CC(C)[C@@H](O)[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850395442 1053162116 /nfs/dbraw/zinc/16/21/16/1053162116.db2.gz SHEFINXWIGCDKL-QZTJIDSGSA-N 0 0 337.822 4.033 20 10 EICDRN COc1ccc(CN[C@@H](CO)c2cccc(Cl)c2Cl)cc1C ZINC000850402813 1053168717 /nfs/dbraw/zinc/16/87/17/1053168717.db2.gz XSBXHPQYCQRKCN-HNNXBMFYSA-N 0 0 340.250 4.134 20 10 EICDRN CN(Cc1nc2c(o1)CCCC2)c1ccc(-c2nccs2)cc1 ZINC001194992152 1053219342 /nfs/dbraw/zinc/21/93/42/1053219342.db2.gz AEUIKCRCSOIDNI-UHFFFAOYSA-N 0 0 325.437 4.313 20 10 EICDRN CCc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])s1 ZINC000101592428 1053234949 /nfs/dbraw/zinc/23/49/49/1053234949.db2.gz WZEDULAZGANMRB-UHFFFAOYSA-N 0 0 326.259 4.068 20 10 EICDRN O=C1/C(=C\c2csc(C(F)(F)F)c2)SC(=S)N1C1CC1 ZINC000864357461 1053247211 /nfs/dbraw/zinc/24/72/11/1053247211.db2.gz YVWCCVJJIMUYED-FPYGCLRLSA-N 0 0 335.397 4.131 20 10 EICDRN CC[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000850499662 1053259894 /nfs/dbraw/zinc/25/98/94/1053259894.db2.gz UIRRNOPTAMUJBP-UWJYBYFXSA-N 0 0 341.242 4.037 20 10 EICDRN C[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccc(N2CCCCCC2)cc1 ZINC000850499422 1053261212 /nfs/dbraw/zinc/26/12/12/1053261212.db2.gz PFVSEIWAZKGTDK-JTDSTZFVSA-N 0 0 339.487 4.015 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cc(Br)c(F)cc1[O-] ZINC000850512145 1053269580 /nfs/dbraw/zinc/26/95/80/1053269580.db2.gz WRGOFCCZPYOGFE-SFYZADRCSA-N 0 0 345.237 4.162 20 10 EICDRN COc1cc2c(c(OC)c1)N(Cc1ccc3cnccc3c1)CCC2 ZINC001195180031 1053295585 /nfs/dbraw/zinc/29/55/85/1053295585.db2.gz PXMNJNKZVJQZGJ-UHFFFAOYSA-N 0 0 334.419 4.205 20 10 EICDRN CC[C@H]([NH2+]Cc1cc(COC)cs1)c1cccc(Cl)c1[O-] ZINC000850533238 1053297584 /nfs/dbraw/zinc/29/75/84/1053297584.db2.gz TXIGPANJIKGLAF-HNNXBMFYSA-N 0 0 325.861 4.494 20 10 EICDRN COc1ccc(C[NH2+]C[C@H](CC(=O)[O-])[C@@H]2CCC[C@@H](C)C2)cc1C ZINC000864532308 1053308466 /nfs/dbraw/zinc/30/84/66/1053308466.db2.gz FIQWSXWMTBZFQC-OLMNPRSZSA-N 0 0 333.472 4.010 20 10 EICDRN CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C)c1ccc(F)cc1[O-] ZINC000850554438 1053309185 /nfs/dbraw/zinc/30/91/85/1053309185.db2.gz JPIDWIDILVZQSC-YSIASYRMSA-N 0 0 331.431 4.330 20 10 EICDRN Cc1cc(C)cc(CN(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000764803067 1053317054 /nfs/dbraw/zinc/31/70/54/1053317054.db2.gz BWCOPCUVLWWIRH-KRWDZBQOSA-N 0 0 339.483 4.272 20 10 EICDRN COc1cc(N[C@H](C)c2ccc(F)cc2O)ccc1OC(F)F ZINC000850561076 1053317820 /nfs/dbraw/zinc/31/78/20/1053317820.db2.gz KLYLPPCABWBSOZ-SECBINFHSA-N 0 0 327.302 4.314 20 10 EICDRN COc1cccc([C@H](C)Nc2ccc(O[C@@H]3CC3(F)F)cc2)c1O ZINC000850564357 1053319723 /nfs/dbraw/zinc/31/97/23/1053319723.db2.gz QOLPEWCGTXOVKZ-MEDUHNTESA-N 0 0 335.350 4.360 20 10 EICDRN CC[C@@H](Nc1cccc(-c2cn(C)nn2)c1)c1ccc(N(C)C)cc1 ZINC000850564426 1053319820 /nfs/dbraw/zinc/31/98/20/1053319820.db2.gz RRFFXOGANHHSPG-LJQANCHMSA-N 0 0 335.455 4.111 20 10 EICDRN C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccc(F)cc1[O-] ZINC000850569979 1053325448 /nfs/dbraw/zinc/32/54/48/1053325448.db2.gz OZOXPDGBLPTPMH-VIFPVBQESA-N 0 0 329.293 4.123 20 10 EICDRN CC[C@H]([NH2+]C[C@@H](O)[C@H](C)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000850574352 1053328753 /nfs/dbraw/zinc/32/87/53/1053328753.db2.gz XPTNGVYYKFDNRW-JEBQAFNWSA-N 0 0 333.859 4.251 20 10 EICDRN C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])c1ccccc1 ZINC000850583596 1053333851 /nfs/dbraw/zinc/33/38/51/1053333851.db2.gz MCJHCYSNZLHOPC-XMZIXOGTSA-N 0 0 340.250 4.472 20 10 EICDRN C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccccc1 ZINC000850584624 1053334002 /nfs/dbraw/zinc/33/40/02/1053334002.db2.gz RXOJDSPQTXLAEW-OZVIIMIRSA-N 0 0 339.357 4.184 20 10 EICDRN COc1ccc(N(CC(=O)N(C(C)C)C2CCCC2)CC(C)C)cc1 ZINC001195257967 1053347380 /nfs/dbraw/zinc/34/73/80/1053347380.db2.gz LOYSBQZBMVSBJP-UHFFFAOYSA-N 0 0 346.515 4.337 20 10 EICDRN Cc1cnc(C)c(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)n1 ZINC001195255883 1053347522 /nfs/dbraw/zinc/34/75/22/1053347522.db2.gz WFJRBWACXNHDJP-WCWDXBQESA-N 0 0 347.378 4.467 20 10 EICDRN Cc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cn1 ZINC000764890780 1053350233 /nfs/dbraw/zinc/35/02/33/1053350233.db2.gz BPSIKVIXWOIKIZ-AUWJEWJLSA-N 0 0 346.864 4.449 20 10 EICDRN Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(C)nc3)SC2=S)c1 ZINC000764891657 1053351340 /nfs/dbraw/zinc/35/13/40/1053351340.db2.gz MGJILSLZIAYQMT-CXUHLZMHSA-N 0 0 340.473 4.413 20 10 EICDRN Cc1ccc(/C=C2\SC(=S)N(c3c(C)cccc3C)C2=O)cn1 ZINC000764891049 1053353839 /nfs/dbraw/zinc/35/38/39/1053353839.db2.gz JEPPNHAORBJNIU-DHDCSXOGSA-N 0 0 340.473 4.413 20 10 EICDRN C[C@@H]1C[C@H](NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)CCO1 ZINC001195277717 1053355573 /nfs/dbraw/zinc/35/55/73/1053355573.db2.gz GPOBPGXWLZMZNC-UVJAYHLSSA-N 0 0 339.395 4.105 20 10 EICDRN CN(C)c1ccc(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000794797510 1053381303 /nfs/dbraw/zinc/38/13/03/1053381303.db2.gz ZIYHGKHZDHVBGO-OAQYLSRUSA-N 0 0 346.478 4.106 20 10 EICDRN CC[C@H](Nc1ccc2cnn(CCOC)c2c1)c1ccc(C)cc1O ZINC000794816886 1053432023 /nfs/dbraw/zinc/43/20/23/1053432023.db2.gz LDPMWMLVTASWQF-SFHVURJKSA-N 0 0 339.439 4.260 20 10 EICDRN CN(c1ccccc1)C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775665382 1053432395 /nfs/dbraw/zinc/43/23/95/1053432395.db2.gz PARYOIUNELZEHX-UHFFFAOYSA-N 0 0 348.849 4.286 20 10 EICDRN COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000794822930 1053437743 /nfs/dbraw/zinc/43/77/43/1053437743.db2.gz DMVISQLMVLEGTN-YOEHRIQHSA-N 0 0 349.421 4.359 20 10 EICDRN O=C1c2ccccc2-c2cccc(NC(=S)NCc3ccccc3)c21 ZINC001195630920 1053440915 /nfs/dbraw/zinc/44/09/15/1053440915.db2.gz BEDHVQKCXSSPOL-UHFFFAOYSA-N 0 0 344.439 4.385 20 10 EICDRN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000775665173 1053443702 /nfs/dbraw/zinc/44/37/02/1053443702.db2.gz ZQMMMJVXZFRXDK-HZPDHXFCSA-N 0 0 336.907 4.132 20 10 EICDRN Cn1c2ccc(Cl)cc2nc1/C(Cl)=C/c1cn(C2CC2)cn1 ZINC000865216180 1053443892 /nfs/dbraw/zinc/44/38/92/1053443892.db2.gz ABHKCOKTSZTWTP-QPEQYQDCSA-N 0 0 333.222 4.495 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC1CCSCC1 ZINC000109951361 1053467783 /nfs/dbraw/zinc/46/77/83/1053467783.db2.gz APKWEWIDWRLLSI-UHFFFAOYSA-N 0 0 328.481 4.028 20 10 EICDRN Cc1cc(C(=O)NC2CCSCC2)c(C)n1-c1ccccc1C ZINC000109953997 1053468405 /nfs/dbraw/zinc/46/84/05/1053468405.db2.gz PABJVARHMQFKRP-UHFFFAOYSA-N 0 0 328.481 4.028 20 10 EICDRN Cc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1C ZINC000765211405 1053469126 /nfs/dbraw/zinc/46/91/26/1053469126.db2.gz OXISNPJZBQRFKB-UHFFFAOYSA-N 0 0 349.228 4.093 20 10 EICDRN Cc1ccc(NC(=O)NCc2cccc(Br)c2O)c(C)c1 ZINC000765209573 1053469187 /nfs/dbraw/zinc/46/91/87/1053469187.db2.gz ATRUMRKMDAEALA-UHFFFAOYSA-N 0 0 349.228 4.093 20 10 EICDRN COc1ccc(N(C)Cc2coc(-c3c(F)cccc3F)n2)cc1 ZINC001195819209 1053499795 /nfs/dbraw/zinc/49/97/95/1053499795.db2.gz VOZBNNVYHQHWIW-UHFFFAOYSA-N 0 0 330.334 4.265 20 10 EICDRN CCOc1ccc(N(C)CC[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000851780286 1053515671 /nfs/dbraw/zinc/51/56/71/1053515671.db2.gz GQPBWQZEPAEJSE-GOSISDBHSA-N 0 0 342.464 4.025 20 10 EICDRN O=C(NCc1ccccc1O)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC001195904939 1053521784 /nfs/dbraw/zinc/52/17/84/1053521784.db2.gz XNHZAXWLPOFVGT-UHFFFAOYSA-N 0 0 342.398 4.471 20 10 EICDRN Cc1ccnc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1Br ZINC000865531723 1053538405 /nfs/dbraw/zinc/53/84/05/1053538405.db2.gz MHTJDSHFJDFHRJ-ZDUSSCGKSA-N 0 0 348.288 4.069 20 10 EICDRN CN(C)c1ccc(CNc2ccc([C@H](O)C(F)(F)F)cc2)cc1F ZINC000865664706 1053568694 /nfs/dbraw/zinc/56/86/94/1053568694.db2.gz KCYRTESXCBGTEJ-INIZCTEOSA-N 0 0 342.336 4.100 20 10 EICDRN Cc1ncc([C@@H](C)[NH2+]Cc2cc(C)cc(Br)c2[O-])s1 ZINC000865703331 1053576029 /nfs/dbraw/zinc/57/60/29/1053576029.db2.gz XCZJOIWEZCTRFZ-SECBINFHSA-N 0 0 341.274 4.079 20 10 EICDRN O=C1/C(=C/c2ccccn2)SC(=S)N1CCCCC(F)(F)F ZINC000794860986 1053581115 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CCN(c1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1)C(C)C ZINC000866100369 1053638088 /nfs/dbraw/zinc/63/80/88/1053638088.db2.gz SBMNTTDCLRBCDM-UHFFFAOYSA-N 0 0 339.439 4.175 20 10 EICDRN CCc1nc(CN(Cc2ccco2)Cc2ccccc2O)cs1 ZINC000111232869 1053664404 /nfs/dbraw/zinc/66/44/04/1053664404.db2.gz MWLQYSOXMAPADE-UHFFFAOYSA-N 0 0 328.437 4.207 20 10 EICDRN CN(Cc1csc(Nc2ccccc2)n1)Cc1ccccc1O ZINC000111236220 1053666281 /nfs/dbraw/zinc/66/62/81/1053666281.db2.gz WYDNAHDBQFYLJJ-UHFFFAOYSA-N 0 0 325.437 4.224 20 10 EICDRN CC[C@@H](Sc1ccccc1)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000111608275 1053714056 /nfs/dbraw/zinc/71/40/56/1053714056.db2.gz YXEXRCSWGMNUOA-FZKQIMNGSA-N 0 0 345.464 4.149 20 10 EICDRN C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866405902 1053717799 /nfs/dbraw/zinc/71/77/99/1053717799.db2.gz MLWSRKFITAJLPA-QMMMGPOBSA-N 0 0 346.330 4.232 20 10 EICDRN COc1cccc([C@@H](C)Nc2cc(F)cc(OC(F)F)c2)c1O ZINC000866498268 1053753227 /nfs/dbraw/zinc/75/32/27/1053753227.db2.gz 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COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000103565165 1046036808 /nfs/dbraw/zinc/03/68/08/1046036808.db2.gz MANXIMOJPYITIL-CYBMUJFWSA-N 0 0 328.412 4.407 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(SC)cc2)c1 ZINC000103568942 1046036863 /nfs/dbraw/zinc/03/68/63/1046036863.db2.gz DXBNMXPAIHZVMQ-NSHDSACASA-N 0 0 332.425 4.005 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CCC[C@H](OC)C2)cc1 ZINC000792884208 1046093734 /nfs/dbraw/zinc/09/37/34/1046093734.db2.gz WWXIGIBPGTXACV-QUCCMNQESA-N 0 0 346.515 4.087 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(F)cc1[O-] ZINC000796945172 1046101842 /nfs/dbraw/zinc/10/18/42/1046101842.db2.gz NVDNGJRMSDUAQJ-DCPHZVHLSA-N 0 0 330.447 4.263 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCC[C@@H](C)C2)cc1 ZINC000916625017 1046110663 /nfs/dbraw/zinc/11/06/63/1046110663.db2.gz BGUSAUAZOIXOHX-AEFFLSMTSA-N 0 0 331.504 4.253 20 10 EICDRN COc1ccc(O)c([C@H](C)Nc2ncnc3cc(Cl)ccc32)c1 ZINC000261426826 1046113041 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COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)CC(C)(C)C)ccc21 ZINC001129634712 1046618271 /nfs/dbraw/zinc/61/82/71/1046618271.db2.gz WGNXCQQIYAKRQG-AWEZNQCLSA-N 0 0 344.499 4.459 20 10 EICDRN Cc1ccc(/C=C/C(=O)N2CCCc3c(F)ccc(Cl)c32)cn1 ZINC001129639113 1046623400 /nfs/dbraw/zinc/62/34/00/1046623400.db2.gz NSANYPUBWGIVDF-RMKNXTFCSA-N 0 0 330.790 4.175 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2(C(F)(F)F)CC2)cc1 ZINC000804605863 1046653866 /nfs/dbraw/zinc/65/38/66/1046653866.db2.gz YLYLFJZBZRDBDC-UHFFFAOYSA-N 0 0 336.357 4.166 20 10 EICDRN O=C(NCCCSc1nccs1)Nc1ccc(C2CC2)cc1 ZINC000772567785 1046671380 /nfs/dbraw/zinc/67/13/80/1046671380.db2.gz MFOOJCWSSYTXAI-UHFFFAOYSA-N 0 0 333.482 4.324 20 10 EICDRN Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1OC(C)C ZINC000785536669 1046704945 /nfs/dbraw/zinc/70/49/45/1046704945.db2.gz BHNFZDGQOAHPLM-UHFFFAOYSA-N 0 0 340.467 4.231 20 10 EICDRN Cn1c(=O)ccc2ccc(NCc3ccc(N4CCCCC4)cc3)cc21 ZINC000785535696 1046705309 /nfs/dbraw/zinc/70/53/09/1046705309.db2.gz ZIPCPLNVWGKHEI-UHFFFAOYSA-N 0 0 347.462 4.141 20 10 EICDRN C[C@@H](NCc1cc(Cl)ccc1O)c1nc(C(F)(F)F)cs1 ZINC000785607035 1046718519 /nfs/dbraw/zinc/71/85/19/1046718519.db2.gz ODTFRVHYONSWEX-SSDOTTSWSA-N 0 0 336.766 4.372 20 10 EICDRN CC(C)c1ccoc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000785982205 1046798743 /nfs/dbraw/zinc/79/87/43/1046798743.db2.gz MAIHFFVGOUGCPE-UHFFFAOYSA-N 0 0 326.440 4.323 20 10 EICDRN Cc1ccc(CCC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC001129974708 1046821017 /nfs/dbraw/zinc/82/10/17/1046821017.db2.gz RPHSRNFXTAXKSI-HNNXBMFYSA-N 0 0 344.524 4.111 20 10 EICDRN Cc1cc(F)c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1F ZINC001129974115 1046821285 /nfs/dbraw/zinc/82/12/85/1046821285.db2.gz NAVBLALRTHHPBL-AWEZNQCLSA-N 0 0 346.421 4.009 20 10 EICDRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccccc1O ZINC000917309326 1046838487 /nfs/dbraw/zinc/83/84/87/1046838487.db2.gz OCKVEAOFJVYUBU-OAHLLOKOSA-N 0 0 341.451 4.116 20 10 EICDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000786499146 1046846537 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Cc1ccccc1NC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917594745 1047016992 /nfs/dbraw/zinc/01/69/92/1047016992.db2.gz IBLMJUNUSLIJPK-UHFFFAOYSA-N 0 0 339.508 4.422 20 10 EICDRN Cc1ccc(NC(=S)NCCCN(C)c2ccccc2F)cc1C ZINC000917599561 1047018508 /nfs/dbraw/zinc/01/85/08/1047018508.db2.gz WTWODEOXPFFQOQ-UHFFFAOYSA-N 0 0 345.487 4.255 20 10 EICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCC(C)(C)O ZINC000787494342 1047019364 /nfs/dbraw/zinc/01/93/64/1047019364.db2.gz OZHGPORMYFKHJH-MRXNPFEDSA-N 0 0 341.451 4.033 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C=C(C1CC1)C1CC1 ZINC000917647504 1047048156 /nfs/dbraw/zinc/04/81/56/1047048156.db2.gz KAYYRYBZGWKXCY-UHFFFAOYSA-N 0 0 326.484 4.236 20 10 EICDRN CC[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132531 1047127546 /nfs/dbraw/zinc/12/75/46/1047127546.db2.gz XKKHOKBQFBXWGY-HRCADAONSA-N 0 0 343.298 4.367 20 10 EICDRN CC[C@H]([NH2+]CCCCNc1ccccn1)c1cccc(Cl)c1[O-] ZINC000806136995 1047130646 /nfs/dbraw/zinc/13/06/46/1047130646.db2.gz JMRFNLASTWGXTK-INIZCTEOSA-N 0 0 333.863 4.374 20 10 EICDRN CC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806134444 1047132350 /nfs/dbraw/zinc/13/23/50/1047132350.db2.gz KUXRSLDJYBKKIK-IINYFYTJSA-N 0 0 347.286 4.045 20 10 EICDRN C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1cc(F)cc(F)c1[O-] ZINC000788259666 1047146989 /nfs/dbraw/zinc/14/69/89/1047146989.db2.gz OKSPIQQFKVIYAB-JTQLQIEISA-N 0 0 343.320 4.165 20 10 EICDRN Cc1cc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)c(C)n1-c1ccccc1C ZINC000788236177 1047151186 /nfs/dbraw/zinc/15/11/86/1047151186.db2.gz DEMMLLOBYUMSNX-HXUWFJFHSA-N 0 0 348.450 4.103 20 10 EICDRN CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000806128148 1047151178 /nfs/dbraw/zinc/15/11/78/1047151178.db2.gz GPRIQPIXDDOMAJ-LPHOPBHVSA-N 0 0 344.886 4.361 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129326 1047151525 /nfs/dbraw/zinc/15/15/25/1047151525.db2.gz DTMAYTRLTBNRTF-CQSZACIVSA-N 0 0 341.238 4.344 20 10 EICDRN CC[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(F)cc1[O-] ZINC000806177015 1047163269 /nfs/dbraw/zinc/16/32/69/1047163269.db2.gz RXHBATIXPDOBOD-IRXDYDNUSA-N 0 0 337.822 4.349 20 10 EICDRN CC[C@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1cccc(Cl)c1[O-] ZINC000806141143 1047168830 /nfs/dbraw/zinc/16/88/30/1047168830.db2.gz GUXXQWIDFMVCJS-DIFFPNOSSA-N 0 0 335.879 4.068 20 10 EICDRN CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144774 1047171674 /nfs/dbraw/zinc/17/16/74/1047171674.db2.gz VKNKBYYUVKFOBT-HNHYXYPQSA-N 0 0 343.298 4.222 20 10 EICDRN CC[C@H]([NH2+][C@H](C)[C@@H](O)Cc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806148812 1047172630 /nfs/dbraw/zinc/17/26/30/1047172630.db2.gz KUBDKPYPYLCPQD-BVGQSLNGSA-N 0 0 333.859 4.078 20 10 EICDRN CC[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc(Cl)c1[O-] ZINC000806150601 1047175198 /nfs/dbraw/zinc/17/51/98/1047175198.db2.gz WJGQIGBDFKAQBK-BBRMVZONSA-N 0 0 325.880 4.275 20 10 EICDRN CC[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cccc(Cl)c1[O-] ZINC000806150603 1047175805 /nfs/dbraw/zinc/17/58/05/1047175805.db2.gz WJGQIGBDFKAQBK-CZUORRHYSA-N 0 0 325.880 4.275 20 10 EICDRN CC[C@@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1cccc(Cl)c1[O-] ZINC000806159218 1047183418 /nfs/dbraw/zinc/18/34/18/1047183418.db2.gz ZVPZHDXUGWNXTI-SUMWQHHRSA-N 0 0 337.847 4.327 20 10 EICDRN Cc1cc(C(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000917893351 1047205942 /nfs/dbraw/zinc/20/59/42/1047205942.db2.gz ZOSMRRKRRFFEEK-UHFFFAOYSA-N 0 0 328.799 4.271 20 10 EICDRN CCCc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1Cl ZINC000788526095 1047226077 /nfs/dbraw/zinc/22/60/77/1047226077.db2.gz GYUWONJLKOVIDK-LBPRGKRZSA-N 0 0 347.842 4.065 20 10 EICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000788532148 1047229302 /nfs/dbraw/zinc/22/93/02/1047229302.db2.gz LTNYKEVTOPMJQC-CQSZACIVSA-N 0 0 348.849 4.191 20 10 EICDRN COc1cccc(CNc2nc3cc(Cl)cc(Cl)c3o2)c1O ZINC000788533741 1047231815 /nfs/dbraw/zinc/23/18/15/1047231815.db2.gz FFJNJRKZQXXJCM-UHFFFAOYSA-N 0 0 339.178 4.461 20 10 EICDRN C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000788610272 1047233777 /nfs/dbraw/zinc/23/37/77/1047233777.db2.gz LBNDBAHMVKEGSZ-LLVKDONJSA-N 0 0 344.282 4.292 20 10 EICDRN C[C@H]([NH2+]CC1(CCO)CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788607689 1047245488 /nfs/dbraw/zinc/24/54/88/1047245488.db2.gz CALVEERUORUBRN-LBPRGKRZSA-N 0 0 331.378 4.004 20 10 EICDRN CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000788622324 1047252410 /nfs/dbraw/zinc/25/24/10/1047252410.db2.gz QXBKXBJQMAZWIX-IGNZVWTISA-N 0 0 335.394 4.079 20 10 EICDRN C[C@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1cc(F)cc(F)c1[O-] ZINC000788621548 1047253444 /nfs/dbraw/zinc/25/34/44/1047253444.db2.gz ZGCHYTTUXNNSNP-ZETCQYMHSA-N 0 0 333.712 4.453 20 10 EICDRN CCOCCC1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000788668893 1047268909 /nfs/dbraw/zinc/26/89/09/1047268909.db2.gz BJPMLYNFGYPBGY-LBPRGKRZSA-N 0 0 331.378 4.268 20 10 EICDRN CN(C)c1ccc(CNC(=O)C(C)(C)c2ccc(Cl)cc2F)cc1 ZINC000788697341 1047283705 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CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)c(C(C)=O)c1 ZINC000806569934 1047310925 /nfs/dbraw/zinc/31/09/25/1047310925.db2.gz KVYWUXURTXGVLS-UHFFFAOYSA-N 0 0 344.386 4.178 20 10 EICDRN C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000788824804 1047321068 /nfs/dbraw/zinc/32/10/68/1047321068.db2.gz WJLURZGMUHUUEW-DOMZBBRYSA-N 0 0 343.389 4.411 20 10 EICDRN Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1 ZINC000918109544 1047324603 /nfs/dbraw/zinc/32/46/03/1047324603.db2.gz PPMLUINCKMEUDF-QGZVFWFLSA-N 0 0 339.483 4.272 20 10 EICDRN CCc1oc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1C ZINC000760333822 1047326792 /nfs/dbraw/zinc/32/67/92/1047326792.db2.gz AGHDVWDMERBLEC-UHFFFAOYSA-N 0 0 328.456 4.267 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1scnc1C1CC1 ZINC000760379095 1047348319 /nfs/dbraw/zinc/34/83/19/1047348319.db2.gz XNGYXXBRMKBPEC-UHFFFAOYSA-N 0 0 343.496 4.137 20 10 EICDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccc(F)c1Cl ZINC000806772532 1047358184 /nfs/dbraw/zinc/35/81/84/1047358184.db2.gz 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CC(C)c1scnc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000808915300 1048166955 /nfs/dbraw/zinc/16/69/55/1048166955.db2.gz IWEIDSJIZVIXBC-GFCCVEGCSA-N 0 0 332.473 4.215 20 10 EICDRN O=C1/C(=C\c2cc3cnccc3o2)SC(=S)N1C1CCCCC1 ZINC000844267249 1048262847 /nfs/dbraw/zinc/26/28/47/1048262847.db2.gz ADGVLKOWASSZHU-OQLLNIDSSA-N 0 0 344.461 4.362 20 10 EICDRN COc1ccc(Cl)c(CN(C)Cc2ccc(N(C)C)cc2)c1F ZINC001143898962 1048287932 /nfs/dbraw/zinc/28/79/32/1048287932.db2.gz FMVJUVIPVMQUSZ-UHFFFAOYSA-N 0 0 336.838 4.186 20 10 EICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2ccncc2c1 ZINC000844321968 1048293162 /nfs/dbraw/zinc/29/31/62/1048293162.db2.gz JJMZQDJOAAPQQY-UHFFFAOYSA-N 0 0 347.462 4.352 20 10 EICDRN Cc1cc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)ccc1N(C)C ZINC000815061229 1048315276 /nfs/dbraw/zinc/31/52/76/1048315276.db2.gz NEFQNXLJXRNXIZ-BEFAXECRSA-N 0 0 330.497 4.085 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cc2ccccc2o1 ZINC000919933970 1048315535 /nfs/dbraw/zinc/31/55/35/1048315535.db2.gz 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ZINC000815565843 1048511308 /nfs/dbraw/zinc/51/13/08/1048511308.db2.gz BOOHTNFAGVPBBW-AZUAARDMSA-N 0 0 325.452 4.225 20 10 EICDRN Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCCO1 ZINC000815565846 1048513041 /nfs/dbraw/zinc/51/30/41/1048513041.db2.gz BOOHTNFAGVPBBW-UYAOXDASSA-N 0 0 325.452 4.225 20 10 EICDRN CCC1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CCOCC1 ZINC000815585375 1048523232 /nfs/dbraw/zinc/52/32/32/1048523232.db2.gz FTBHLWGYRQOOCC-GFCCVEGCSA-N 0 0 331.378 4.268 20 10 EICDRN C[C@@H](Oc1ccccc1NCc1cc(F)ccc1O)C(F)(F)F ZINC000809785334 1048532381 /nfs/dbraw/zinc/53/23/81/1048532381.db2.gz RSGQIINIXZLZSW-SNVBAGLBSA-N 0 0 329.293 4.473 20 10 EICDRN CC[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccccc1OC ZINC000844887286 1048536443 /nfs/dbraw/zinc/53/64/43/1048536443.db2.gz XYRIFRWPLUQRAI-HNNXBMFYSA-N 0 0 348.830 4.005 20 10 EICDRN COc1ccccc1N(CCO)Cc1cc(-c2ccccc2)ccc1O ZINC000809793247 1048536939 /nfs/dbraw/zinc/53/69/39/1048536939.db2.gz UURGGSSSRNKTFQ-UHFFFAOYSA-N 0 0 349.430 4.067 20 10 EICDRN C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815574726 1048539180 /nfs/dbraw/zinc/53/91/80/1048539180.db2.gz ARLVHBQTBVZEJL-NHYWBVRUSA-N 0 0 331.378 4.003 20 10 EICDRN Cc1cc(C)c([C@H](C)Nc2ccc3oc(N(C)C)nc3c2)c(O)c1 ZINC000815613376 1048540736 /nfs/dbraw/zinc/54/07/36/1048540736.db2.gz LPOJWLIHKKTZGI-ZDUSSCGKSA-N 0 0 325.412 4.389 20 10 EICDRN CCOc1cccc([C@@H](C)NC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000844938170 1048555094 /nfs/dbraw/zinc/55/50/94/1048555094.db2.gz XJTSMYCXSMCLII-GFCCVEGCSA-N 0 0 348.830 4.005 20 10 EICDRN CC[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(F)cc1[O-] ZINC000815645618 1048569889 /nfs/dbraw/zinc/56/98/89/1048569889.db2.gz LHCMRWSJXVLRCF-HNNXBMFYSA-N 0 0 342.336 4.229 20 10 EICDRN C[N@H+](Cc1ccc(F)cc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298554 1048573815 /nfs/dbraw/zinc/57/38/15/1048573815.db2.gz GNCMQSXUCZELJT-UHFFFAOYSA-N 0 0 342.183 4.065 20 10 EICDRN CN(C)c1ccc(OCc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000810000819 1048600196 /nfs/dbraw/zinc/60/01/96/1048600196.db2.gz 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EICDRN CC[C@@H](SC)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001132263994 1048785464 /nfs/dbraw/zinc/78/54/64/1048785464.db2.gz JMGHXOVPDALLHO-GOSISDBHSA-N 0 0 330.497 4.160 20 10 EICDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000846055752 1048808433 /nfs/dbraw/zinc/80/84/33/1048808433.db2.gz WWWLGHZLWDTSOG-UHFFFAOYSA-N 0 0 346.215 4.084 20 10 EICDRN Cc1ccc(NC(=S)NCCN2CCCc3ccccc32)cc1C ZINC000920993627 1048824080 /nfs/dbraw/zinc/82/40/80/1048824080.db2.gz MWEONXNEKUCMGJ-UHFFFAOYSA-N 0 0 339.508 4.043 20 10 EICDRN COc1cccc([C@H](C)Nc2cccc(NC(=O)C(C)C)c2)c1O ZINC000846160158 1048825906 /nfs/dbraw/zinc/82/59/06/1048825906.db2.gz TVJQKRHVQBHPRR-ZDUSSCGKSA-N 0 0 328.412 4.168 20 10 EICDRN COc1cccc([C@H](C)Nc2ccc(F)cc2OC(F)F)c1O ZINC000846162548 1048827205 /nfs/dbraw/zinc/82/72/05/1048827205.db2.gz LQZNLCDVRSSEDQ-VIFPVBQESA-N 0 0 327.302 4.314 20 10 EICDRN COc1cccc([C@H](C)Nc2ccc(OC)c(OC(C)C)c2)c1O ZINC000846164961 1048827314 /nfs/dbraw/zinc/82/73/14/1048827314.db2.gz MDWAUDRYRJZYNE-ZDUSSCGKSA-N 0 0 331.412 4.370 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000816541291 1048827277 /nfs/dbraw/zinc/82/72/77/1048827277.db2.gz IOWSZSYVNAUYNI-QZTJIDSGSA-N 0 0 335.806 4.195 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000816538402 1048827356 /nfs/dbraw/zinc/82/73/56/1048827356.db2.gz PZVBXIJDEMADKM-OAHLLOKOSA-N 0 0 339.769 4.327 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000816551343 1048828316 /nfs/dbraw/zinc/82/83/16/1048828316.db2.gz YCHAPSQSCSAYEV-IBGZPJMESA-N 0 0 349.833 4.442 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000816550657 1048828600 /nfs/dbraw/zinc/82/86/00/1048828600.db2.gz XSNQTRYACYFBLN-UHFFFAOYSA-N 0 0 336.769 4.137 20 10 EICDRN COCCOc1ccc(NCc2cc(Cl)c(F)cc2O)c(C)c1 ZINC000816523665 1048830083 /nfs/dbraw/zinc/83/00/83/1048830083.db2.gz ZKWPBHJTWBWXJT-UHFFFAOYSA-N 0 0 339.794 4.130 20 10 EICDRN Cn1ccnc1-c1cccc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816525079 1048830597 /nfs/dbraw/zinc/83/05/97/1048830597.db2.gz DBTSFQZSRPZIEA-UHFFFAOYSA-N 0 0 331.778 4.197 20 10 EICDRN COC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc(Cl)cc1 ZINC000816594004 1048832352 /nfs/dbraw/zinc/83/23/52/1048832352.db2.gz MAXHVBWIDGNZQC-HNNXBMFYSA-N 0 0 344.213 4.315 20 10 EICDRN CC(C)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H](O)c1ccccc1 ZINC000816594385 1048832865 /nfs/dbraw/zinc/83/28/65/1048832865.db2.gz BJYAGMFJEQNKKT-MSOLQXFVSA-N 0 0 337.822 4.033 20 10 EICDRN CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000816564833 1048836722 /nfs/dbraw/zinc/83/67/22/1048836722.db2.gz RVTWKSZBIQRWST-DYVFJYSZSA-N 0 0 329.843 4.258 20 10 EICDRN CC(=O)N1CCc2c1cccc2NCc1ccc2ccccc2c1O ZINC000816571290 1048838579 /nfs/dbraw/zinc/83/85/79/1048838579.db2.gz YMGBOFQJHZRZMU-UHFFFAOYSA-N 0 0 332.403 4.067 20 10 EICDRN CC(C)(C)OCc1cc(CNCc2ccc3ccccc3c2O)no1 ZINC000816574923 1048839148 /nfs/dbraw/zinc/83/91/48/1048839148.db2.gz WTYFRLKHLWGRQK-UHFFFAOYSA-N 0 0 340.423 4.138 20 10 EICDRN CC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cccc(Cl)c1[O-] ZINC000846202975 1048841234 /nfs/dbraw/zinc/84/12/34/1048841234.db2.gz JKDDYVUMQBVCMV-OLMNPRSZSA-N 0 0 346.858 4.402 20 10 EICDRN Oc1c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816610915 1048843758 /nfs/dbraw/zinc/84/37/58/1048843758.db2.gz CGYWLFYXHXZJJJ-SJORKVTESA-N 0 0 325.452 4.184 20 10 EICDRN CC[C@H](C)Oc1cccc(NCc2cc(OC)c(OC)cc2O)c1 ZINC000816633589 1048852339 /nfs/dbraw/zinc/85/23/39/1048852339.db2.gz HMQJHJCRJHRBPS-ZDUSSCGKSA-N 0 0 331.412 4.199 20 10 EICDRN C/C(=C/c1cccc(Cl)c1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001135689631 1048859006 /nfs/dbraw/zinc/85/90/06/1048859006.db2.gz JIBNGLXQINUZMS-QINSGFPZSA-N 0 0 342.870 4.468 20 10 EICDRN CC1(C)C[C@@H](C(=O)NCc2cc(Cl)ccc2O)c2ccccc2O1 ZINC000846476643 1048865720 /nfs/dbraw/zinc/86/57/20/1048865720.db2.gz OCWJSQOFDJQZTJ-OAHLLOKOSA-N 0 0 345.826 4.007 20 10 EICDRN C/C(=C(\F)C(=O)NCc1cc(C)n(-c2ccccc2)c1C)C1CC1 ZINC001170858177 1048930371 /nfs/dbraw/zinc/93/03/71/1048930371.db2.gz NVZGOYIKIIMVLO-XMHGGMMESA-N 0 0 326.415 4.364 20 10 EICDRN CN(Cc1nc(C(C)(C)C)no1)c1ccc(-c2nccs2)cc1 ZINC000846995187 1048970314 /nfs/dbraw/zinc/97/03/14/1048970314.db2.gz YOWKNOASHSGHOT-UHFFFAOYSA-N 0 0 328.441 4.127 20 10 EICDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001146233589 1049013697 /nfs/dbraw/zinc/01/36/97/1049013697.db2.gz XBSMISRDXKZIOO-HUUCEWRRSA-N 0 0 329.827 4.246 20 10 EICDRN CC[C@@H]([NH2+]CCCC1(O)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817587103 1049015635 /nfs/dbraw/zinc/01/56/35/1049015635.db2.gz ULNHIRNLMZIOLC-CQSZACIVSA-N 0 0 332.271 4.435 20 10 EICDRN Cc1csc(CCC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)n1 ZINC000817761975 1049040341 /nfs/dbraw/zinc/04/03/41/1049040341.db2.gz QVSIHVDWZDXHCJ-UHFFFAOYSA-N 0 0 328.437 4.098 20 10 EICDRN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cc2cc(O)c(O)cc2s1 ZINC001136020674 1049040417 /nfs/dbraw/zinc/04/04/17/1049040417.db2.gz ZNARGQWMDAZDPT-YRGRVCCFSA-N 0 0 345.464 4.401 20 10 EICDRN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc2cc(O)c(O)cc2s1 ZINC001136020672 1049041597 /nfs/dbraw/zinc/04/15/97/1049041597.db2.gz ZNARGQWMDAZDPT-OUCADQQQSA-N 0 0 345.464 4.401 20 10 EICDRN CC[C@H]1CCCCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817946335 1049065254 /nfs/dbraw/zinc/06/52/54/1049065254.db2.gz WSFGGCUYSGPNGL-INIZCTEOSA-N 0 0 343.496 4.111 20 10 EICDRN CSc1cc(Cl)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001146976810 1049074706 /nfs/dbraw/zinc/07/47/06/1049074706.db2.gz GIUXVLHPWIDAKZ-CLTKARDFSA-N 0 0 335.812 4.125 20 10 EICDRN Cc1cc(Cl)cc([C@H](C)Nc2ccc(COCCO)cc2)c1O ZINC000818361556 1049150793 /nfs/dbraw/zinc/15/07/93/1049150793.db2.gz LNQBMUVCFYYIKX-ZDUSSCGKSA-N 0 0 335.831 4.036 20 10 EICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1cc(C(C)C)on1 ZINC001147492974 1049162123 /nfs/dbraw/zinc/16/21/23/1049162123.db2.gz VUHOWTYJCBQKCB-SFHVURJKSA-N 0 0 342.439 4.174 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000811609714 1049172698 /nfs/dbraw/zinc/17/26/98/1049172698.db2.gz NWYGGOFQAKOJIN-UHFFFAOYSA-N 0 0 340.452 4.019 20 10 EICDRN Cc1ccc(NC(=S)NCc2ncccc2Cl)cc1Cl ZINC001245858852 1049201168 /nfs/dbraw/zinc/20/11/68/1049201168.db2.gz OCHZBXJEGOBWLO-UHFFFAOYSA-N 0 0 326.252 4.183 20 10 EICDRN CO[C@@H](CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)C(C)(C)C ZINC001147868584 1049231951 /nfs/dbraw/zinc/23/19/51/1049231951.db2.gz QSOAMMOPVXOIGO-IBGZPJMESA-N 0 0 342.483 4.193 20 10 EICDRN Cc1cc2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cn2c1 ZINC001136180872 1049241973 /nfs/dbraw/zinc/24/19/73/1049241973.db2.gz RHTLGYIQVXJFNZ-UHFFFAOYSA-N 0 0 347.462 4.119 20 10 EICDRN Cc1ccc2c(c1)/C(=C/c1cnc(-c3ccccn3)s1)C(=O)N2C ZINC000811701041 1049243996 /nfs/dbraw/zinc/24/39/96/1049243996.db2.gz RDIDHBQVYAWWTR-GDNBJRDFSA-N 0 0 333.416 4.031 20 10 EICDRN CC/C=C(\F)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001136184743 1049255817 /nfs/dbraw/zinc/25/58/17/1049255817.db2.gz BOEAXQUNPBPCKY-FXBPXSCXSA-N 0 0 330.403 4.138 20 10 EICDRN O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)C1=CC(=O)CS1 ZINC001136185651 1049260128 /nfs/dbraw/zinc/26/01/28/1049260128.db2.gz HTCCVUKCBAKIEP-UHFFFAOYSA-N 0 0 326.377 4.238 20 10 EICDRN CCSc1ccc([C@H](C)NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000103618118 1049269476 /nfs/dbraw/zinc/26/94/76/1049269476.db2.gz YGKRVSCGNKDXMB-AWEZNQCLSA-N 0 0 344.480 4.407 20 10 EICDRN O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc(O)c1O ZINC001148220189 1049283580 /nfs/dbraw/zinc/28/35/80/1049283580.db2.gz WVOYKLUPPJFAKB-UHFFFAOYSA-N 0 0 347.414 4.050 20 10 EICDRN CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001148421085 1049314705 /nfs/dbraw/zinc/31/47/05/1049314705.db2.gz FBENLFUINVVSOC-RHSMWYFYSA-N 0 0 340.467 4.363 20 10 EICDRN Cc1cc(C(=O)NCC[C@H]2CC2(F)F)c(C)n1-c1ccc(F)cc1 ZINC001148495460 1049328565 /nfs/dbraw/zinc/32/85/65/1049328565.db2.gz NXDAAPUCVKJGOW-ZDUSSCGKSA-N 0 0 336.357 4.008 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc2cnncc21 ZINC000819493757 1049332996 /nfs/dbraw/zinc/33/29/96/1049332996.db2.gz GVNBZXXDDJZZCE-UHFFFAOYSA-N 0 0 348.431 4.351 20 10 EICDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C2)cc1 ZINC000819588602 1049345815 /nfs/dbraw/zinc/34/58/15/1049345815.db2.gz NBAVZCKGECOAGE-IRXDYDNUSA-N 0 0 346.515 4.100 20 10 EICDRN C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000772993481 1049348469 /nfs/dbraw/zinc/34/84/69/1049348469.db2.gz IFYDLGCCKQTQIR-AWEZNQCLSA-N 0 0 330.859 4.216 20 10 EICDRN Cc1cccc(NC(=S)NNc2ccccc2Br)c1 ZINC000812484475 1049502661 /nfs/dbraw/zinc/50/26/61/1049502661.db2.gz HEMRASFWUOLUFD-UHFFFAOYSA-N 0 0 336.258 4.071 20 10 EICDRN CC[C@@H](C)[C@H](C)N(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000175557802 1049506000 /nfs/dbraw/zinc/50/60/00/1049506000.db2.gz VZHQIGQRUGEBRT-SJORKVTESA-N 0 0 341.499 4.171 20 10 EICDRN CCOC(=O)CCCCN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001171353925 1049508388 /nfs/dbraw/zinc/50/83/88/1049508388.db2.gz OCVVVXBXBRKRKT-KRWDZBQOSA-N 0 0 333.472 4.063 20 10 EICDRN C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCC1)c1ccc(N(C)C)cc1 ZINC000773006878 1049520546 /nfs/dbraw/zinc/52/05/46/1049520546.db2.gz GBFOHVXQGCKKDG-OAHLLOKOSA-N 0 0 340.442 4.191 20 10 EICDRN C[C@@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC000773010543 1049522362 /nfs/dbraw/zinc/52/23/62/1049522362.db2.gz BGMVHIXIGMNFJF-KBPBESRZSA-N 0 0 346.421 4.402 20 10 EICDRN Cc1c2cccc(F)c2oc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773010604 1049522956 /nfs/dbraw/zinc/52/29/56/1049522956.db2.gz CQTGCBFAGWDJAO-ZDUSSCGKSA-N 0 0 340.398 4.437 20 10 EICDRN C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccc(N(C)C)cc1 ZINC000773011281 1049525572 /nfs/dbraw/zinc/52/55/72/1049525572.db2.gz FLKDLFWHAAAWKV-JTQLQIEISA-N 0 0 338.785 4.175 20 10 EICDRN C[C@@H](NC(=O)C1(c2cccc(F)c2)CCC1)c1ccc(N(C)C)cc1 ZINC000773018183 1049529838 /nfs/dbraw/zinc/52/98/38/1049529838.db2.gz HVKDUMWUODPHQU-OAHLLOKOSA-N 0 0 340.442 4.191 20 10 EICDRN Cc1cccc(OCCCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773016743 1049531759 /nfs/dbraw/zinc/53/17/59/1049531759.db2.gz AYULIQOLAYTFQE-KRWDZBQOSA-N 0 0 340.467 4.097 20 10 EICDRN CSc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1F ZINC000773028227 1049538870 /nfs/dbraw/zinc/53/88/70/1049538870.db2.gz ZFSXSEKDHHEMRE-LBPRGKRZSA-N 0 0 332.444 4.105 20 10 EICDRN COC(C)(C)CS(=O)(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000821118648 1049600811 /nfs/dbraw/zinc/60/08/11/1049600811.db2.gz DHWOWWRIBYIVGY-UHFFFAOYSA-N 0 0 347.440 4.269 20 10 EICDRN Oc1cc2ccccc2cc1CNc1ccnc(-c2cncs2)n1 ZINC001171402754 1049624356 /nfs/dbraw/zinc/62/43/56/1049624356.db2.gz RCQZNEYWPMCCMR-UHFFFAOYSA-N 0 0 334.404 4.071 20 10 EICDRN Oc1cc2ccccc2cc1CNc1ccc(OC(F)(F)F)cn1 ZINC001171405163 1049628830 /nfs/dbraw/zinc/62/88/30/1049628830.db2.gz QNVYZUCBBAFSFO-UHFFFAOYSA-N 0 0 334.297 4.451 20 10 EICDRN COc1cc(F)c(NCc2cc3ccccc3cc2O)c(OC)c1 ZINC001171405485 1049630199 /nfs/dbraw/zinc/63/01/99/1049630199.db2.gz XDMNKKZIOLCVME-UHFFFAOYSA-N 0 0 327.355 4.314 20 10 EICDRN CC1(C)CNC(=O)c2cc(NCc3cc4ccccc4cc3O)ccc21 ZINC001171406729 1049632652 /nfs/dbraw/zinc/63/26/52/1049632652.db2.gz DKKIAGMVCSVEQW-UHFFFAOYSA-N 0 0 346.430 4.179 20 10 EICDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1CCCc2occc21 ZINC000715771241 1049658670 /nfs/dbraw/zinc/65/86/70/1049658670.db2.gz UODQJBJEUCFAOT-CYBMUJFWSA-N 0 0 340.192 4.054 20 10 EICDRN O=C1N[C@@H](c2ccc(N3CCCCC3)cc2)Nc2cc(Cl)ccc21 ZINC000106059165 1049661442 /nfs/dbraw/zinc/66/14/42/1049661442.db2.gz XMQLCUWDEOSAJB-SFHVURJKSA-N 0 0 341.842 4.184 20 10 EICDRN Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773207105 1049661778 /nfs/dbraw/zinc/66/17/78/1049661778.db2.gz DJDVLRBGNXXYFE-JKSUJKDBSA-N 0 0 325.456 4.182 20 10 EICDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773236810 1049670667 /nfs/dbraw/zinc/67/06/67/1049670667.db2.gz ROWONLPQQZGNPI-QRWLVFNGSA-N 0 0 337.467 4.109 20 10 EICDRN Cc1scc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000773232906 1049671251 /nfs/dbraw/zinc/67/12/51/1049671251.db2.gz LSAVJRZGSDHWEJ-UHFFFAOYSA-N 0 0 328.481 4.236 20 10 EICDRN Cc1cccc2ncnc(N3CC=C(c4ccc(Cl)nc4)CC3)c12 ZINC000773246677 1049672491 /nfs/dbraw/zinc/67/24/91/1049672491.db2.gz AESMRKXLSPHRHU-UHFFFAOYSA-N 0 0 336.826 4.280 20 10 EICDRN C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773294113 1049697696 /nfs/dbraw/zinc/69/76/96/1049697696.db2.gz QDMHOKNBGCATAO-AUSJPIAWSA-N 0 0 337.467 4.046 20 10 EICDRN Cc1ccc(-c2csc(NC(=O)Cc3ccc(N)cc3)n2)cc1C ZINC000237739782 1049735323 /nfs/dbraw/zinc/73/53/23/1049735323.db2.gz NQOXYQZJUQEIJX-UHFFFAOYSA-N 0 0 337.448 4.190 20 10 EICDRN CC[C@H](CC(F)(F)F)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000822416698 1049760698 /nfs/dbraw/zinc/76/06/98/1049760698.db2.gz YMYVVLOAAOPYHM-CQSZACIVSA-N 0 0 342.405 4.222 20 10 EICDRN CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCCC[C@H]1C ZINC001136586467 1049763195 /nfs/dbraw/zinc/76/31/95/1049763195.db2.gz OBETYOFJQZUBSH-DGCLKSJQSA-N 0 0 333.453 4.353 20 10 EICDRN COc1ccc(-n2c(C)cc(C(=O)NCCCCC3CC3)c2C)cc1 ZINC001171668432 1049773977 /nfs/dbraw/zinc/77/39/77/1049773977.db2.gz HCVJPTWQAMIEKR-UHFFFAOYSA-N 0 0 340.467 4.413 20 10 EICDRN CCCCN(Cc1ccccc1O)C(=O)Cc1csc(C2CC2)n1 ZINC000822757308 1049794564 /nfs/dbraw/zinc/79/45/64/1049794564.db2.gz WJTXGIXHILHHJI-UHFFFAOYSA-N 0 0 344.480 4.098 20 10 EICDRN CC[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000822818929 1049801015 /nfs/dbraw/zinc/80/10/15/1049801015.db2.gz KZIMEEVVAYNMPZ-HNNXBMFYSA-N 0 0 342.405 4.272 20 10 EICDRN Cc1ccnc(NCCCSc2nccs2)c1Br ZINC000804451960 1049802861 /nfs/dbraw/zinc/80/28/61/1049802861.db2.gz BGSBPXUPTZZKIN-UHFFFAOYSA-N 0 0 344.303 4.203 20 10 EICDRN C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccc(N(C)C)cc1 ZINC000179945759 1049805820 /nfs/dbraw/zinc/80/58/20/1049805820.db2.gz MVSOMZPDEKWOKR-IRXDYDNUSA-N 0 0 339.483 4.151 20 10 EICDRN Nc1ccc(CC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000237900087 1049808919 /nfs/dbraw/zinc/80/89/19/1049808919.db2.gz YIIMPKMRVYVNLZ-UHFFFAOYSA-N 0 0 344.458 4.150 20 10 EICDRN C[C@H](NC(=O)NC(C)(C)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000813718299 1049809828 /nfs/dbraw/zinc/80/98/28/1049809828.db2.gz CYQQZIFETLYLMO-AWEZNQCLSA-N 0 0 343.446 4.187 20 10 EICDRN Clc1cc(NCc2ccc(N3CCCC3)cc2)nc(C2CC2)n1 ZINC000180001615 1049822263 /nfs/dbraw/zinc/82/22/63/1049822263.db2.gz MFGNDVYHIIMSHB-UHFFFAOYSA-N 0 0 328.847 4.220 20 10 EICDRN CCSc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000813884146 1049831609 /nfs/dbraw/zinc/83/16/09/1049831609.db2.gz JJUIJQHSGNMYOM-LBPRGKRZSA-N 0 0 332.425 4.263 20 10 EICDRN CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000772870699 1049842225 /nfs/dbraw/zinc/84/22/25/1049842225.db2.gz YNMWGJJQUACYHX-PZJWPPBQSA-N 0 0 328.500 4.318 20 10 EICDRN COC(=O)C(C)(C)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000824125084 1049898398 /nfs/dbraw/zinc/89/83/98/1049898398.db2.gz CFUHMODIRQVKLM-UHFFFAOYSA-N 0 0 333.815 4.108 20 10 EICDRN Cc1ccc([C@H]2CCCCCN2C(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC000180801577 1049944244 /nfs/dbraw/zinc/94/42/44/1049944244.db2.gz LKRHEKGAIFOQQG-JXMNSVBMSA-N 0 0 341.407 4.156 20 10 EICDRN Oc1c(CNc2cnc3c(c2)CN=N3)cc(Cl)c2cccnc12 ZINC001168525784 1049951514 /nfs/dbraw/zinc/95/15/14/1049951514.db2.gz KNCOKJKLUBMGSU-UHFFFAOYSA-N 0 0 325.759 4.198 20 10 EICDRN NC(=O)c1ccc(Cl)c(NCc2ccc(N3CCCCC3)cc2)c1 ZINC000324869293 1050145397 /nfs/dbraw/zinc/14/53/97/1050145397.db2.gz OATUBKKVCVRUHR-UHFFFAOYSA-N 0 0 343.858 4.041 20 10 EICDRN C[C@H](NC(=O)N(C)[C@@H](C)c1cccs1)c1ccc(N(C)C)cc1 ZINC000773624077 1050163016 /nfs/dbraw/zinc/16/30/16/1050163016.db2.gz ZQROFAAQMCPOLN-KBPBESRZSA-N 0 0 331.485 4.278 20 10 EICDRN C[C@@H](NC(=O)N1Cc2ccccc2C2(CC2)C1)c1ccc(N(C)C)cc1 ZINC000773620821 1050163040 /nfs/dbraw/zinc/16/30/40/1050163040.db2.gz XBTGGTULTKYPPK-MRXNPFEDSA-N 0 0 349.478 4.071 20 10 EICDRN Cc1cccc2c1CC[C@H]2NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773629805 1050172741 /nfs/dbraw/zinc/17/27/41/1050172741.db2.gz SYOPXHCNWNPCCV-FOIQADDNSA-N 0 0 337.467 4.109 20 10 EICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cscn1 ZINC000181582361 1050220728 /nfs/dbraw/zinc/22/07/28/1050220728.db2.gz DNQXSLHBSNDEOK-CQSZACIVSA-N 0 0 338.432 4.252 20 10 EICDRN COc1ccccc1C(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177565878 1050253689 /nfs/dbraw/zinc/25/36/89/1050253689.db2.gz KTGVFJZCLLJKHI-UHFFFAOYSA-N 0 0 337.822 4.261 20 10 EICDRN COC(=O)/C=C\c1ccc(N(C)[C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001186247577 1050270198 /nfs/dbraw/zinc/27/01/98/1050270198.db2.gz CJJYOYHAGZUXGR-GAJOTYCWSA-N 0 0 346.427 4.186 20 10 EICDRN CC[C@H]1CCCN(C(C)(C)C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001177834157 1050310370 /nfs/dbraw/zinc/31/03/70/1050310370.db2.gz DXWKIQLAXMVTHP-ZDUSSCGKSA-N 0 0 342.886 4.175 20 10 EICDRN C=Cc1ccc(C(=O)n2c(N)c(/N=N/c3ccccc3)ccc2=N)cc1 ZINC001186499461 1050340751 /nfs/dbraw/zinc/34/07/51/1050340751.db2.gz OKLFLKKPLLUZGP-JNVQNEIGSA-N 0 0 343.390 4.297 20 10 EICDRN COc1cccc(CNc2cc(F)c(OC(C)(C)C)c(F)c2)c1O ZINC000181841750 1050347758 /nfs/dbraw/zinc/34/77/58/1050347758.db2.gz XMGPLYSVXCNKKM-UHFFFAOYSA-N 0 0 337.366 4.468 20 10 EICDRN CS[C@H](C[NH2+]Cc1cc(C)cc(Br)c1[O-])C(C)(C)C ZINC001178472802 1050478391 /nfs/dbraw/zinc/47/83/91/1050478391.db2.gz HHSYADAIZXJRIY-CYBMUJFWSA-N 0 0 346.334 4.330 20 10 EICDRN Cc1ccc(O)c(CNc2cc(SCc3ccccc3)ncn2)c1 ZINC001187082146 1050480886 /nfs/dbraw/zinc/48/08/86/1050480886.db2.gz SMGBGTAJZFXYCG-UHFFFAOYSA-N 0 0 337.448 4.395 20 10 EICDRN CCO[C@H](C)c1nc(CN(C)Cc2ccc(N(C)CC)cc2)cs1 ZINC000773751745 1050506299 /nfs/dbraw/zinc/50/62/99/1050506299.db2.gz GPUSDKIVRYWLPG-OAHLLOKOSA-N 0 0 347.528 4.329 20 10 EICDRN Cc1ccc(CCC(=O)N2CCc3cccc(O)c3C2)c2ccccc12 ZINC001178596926 1050510581 /nfs/dbraw/zinc/51/05/81/1050510581.db2.gz HHZJYJDQGFPKBP-UHFFFAOYSA-N 0 0 345.442 4.371 20 10 EICDRN COCCCCc1cccnc1NCc1c(C)c2ccccc2n1C ZINC001178773656 1050561230 /nfs/dbraw/zinc/56/12/30/1050561230.db2.gz BNMBUQCIDJZUDV-UHFFFAOYSA-N 0 0 337.467 4.463 20 10 EICDRN CCc1ccccc1NC(=O)NCc1ccc(Br)cc1O ZINC001187656022 1050587482 /nfs/dbraw/zinc/58/74/82/1050587482.db2.gz JRVYDUPTHRGCGG-UHFFFAOYSA-N 0 0 349.228 4.039 20 10 EICDRN Cc1ccc(Br)c(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC001178966655 1050599231 /nfs/dbraw/zinc/59/92/31/1050599231.db2.gz JSEVRZACMZWJEM-UHFFFAOYSA-N 0 0 342.183 4.031 20 10 EICDRN CC(=O)c1ccc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC001173897827 1050613173 /nfs/dbraw/zinc/61/31/73/1050613173.db2.gz LQVXPMGICYURRS-UHFFFAOYSA-N 0 0 341.366 4.408 20 10 EICDRN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCc1c(O)ccc2ccccc21 ZINC001179032910 1050622026 /nfs/dbraw/zinc/62/20/26/1050622026.db2.gz RHFCCMAFMZPKHV-HKUYNNGSSA-N 0 0 345.389 4.377 20 10 EICDRN [O-]c1c(Br)cccc1C[NH2+]Cc1ccccc1C1CC1 ZINC000775145799 1050629622 /nfs/dbraw/zinc/62/96/22/1050629622.db2.gz LSGKYMKRFMYTGT-UHFFFAOYSA-N 0 0 332.241 4.322 20 10 EICDRN Nc1ccc(Cc2ccccc2Nc2ccc3c(c2)OCCO3)cc1 ZINC001173879775 1050634772 /nfs/dbraw/zinc/63/47/72/1050634772.db2.gz DQKLCIUHJYJRKZ-UHFFFAOYSA-N 0 0 332.403 4.374 20 10 EICDRN COc1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1OC ZINC001173889023 1050641386 /nfs/dbraw/zinc/64/13/86/1050641386.db2.gz SBVYPOLLBYLJGU-UHFFFAOYSA-N 0 0 334.375 4.073 20 10 EICDRN [O-]c1c(Br)cccc1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000775151536 1050641660 /nfs/dbraw/zinc/64/16/60/1050641660.db2.gz GTBUUOYLZBGDJY-IHWYPQMZSA-N 0 0 336.204 4.097 20 10 EICDRN C[C@@H](CCc1ccsc1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000775151406 1050642071 /nfs/dbraw/zinc/64/20/71/1050642071.db2.gz FPISKFLWDYCETJ-NSHDSACASA-N 0 0 340.286 4.327 20 10 EICDRN Cc1cc(Cl)ccc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000775151547 1050642336 /nfs/dbraw/zinc/64/23/36/1050642336.db2.gz HIGXFCVEOCHLNO-UHFFFAOYSA-N 0 0 340.648 4.406 20 10 EICDRN Cc1n[nH]cc1C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001188059856 1050687182 /nfs/dbraw/zinc/68/71/82/1050687182.db2.gz VZNUWADETCPTHU-SNAWJCMRSA-N 0 0 346.434 4.207 20 10 EICDRN CSc1ccc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC001188103857 1050698489 /nfs/dbraw/zinc/69/84/89/1050698489.db2.gz NEOIJCAJOHLAEH-UHFFFAOYSA-N 0 0 329.469 4.138 20 10 EICDRN COc1cc(CNc2cnc3[nH]ccc3c2)c(O)c(C(C)(C)C)c1 ZINC001179589011 1050726134 /nfs/dbraw/zinc/72/61/34/1050726134.db2.gz TXEJVUIUVMVJHQ-UHFFFAOYSA-N 0 0 325.412 4.138 20 10 EICDRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc(O)c1O ZINC001188225766 1050730930 /nfs/dbraw/zinc/73/09/30/1050730930.db2.gz GWQATANNGMZPHZ-UHFFFAOYSA-N 0 0 346.692 4.414 20 10 EICDRN CCN(CC)c1ccc(CNc2cccc(OC)c2OC)cc1F ZINC001179583263 1050733471 /nfs/dbraw/zinc/73/34/71/1050733471.db2.gz CVFKULIRBODZPR-UHFFFAOYSA-N 0 0 332.419 4.301 20 10 EICDRN Cc1ccncc1Nc1ccc(OCCOc2ccc(N)cc2)cc1 ZINC001174118317 1050742056 /nfs/dbraw/zinc/74/20/56/1050742056.db2.gz XRCXXPFXSDUTFC-UHFFFAOYSA-N 0 0 335.407 4.174 20 10 EICDRN CN(C)c1ccc(CNc2cnn(C3CCC3)c2)c(C(F)(F)F)c1 ZINC001179670642 1050755681 /nfs/dbraw/zinc/75/56/81/1050755681.db2.gz ZMWWILLNXFWYTE-UHFFFAOYSA-N 0 0 338.377 4.305 20 10 EICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001179771922 1050768127 /nfs/dbraw/zinc/76/81/27/1050768127.db2.gz RIEXRYUGUVBROT-UHFFFAOYSA-N 0 0 331.721 4.234 20 10 EICDRN C[C@@H]1CC[C@@](CO)([NH2+]Cc2c([O-])ccc(Cl)c2F)c2ccccc21 ZINC001179792910 1050780956 /nfs/dbraw/zinc/78/09/56/1050780956.db2.gz CYNGILNWZJLDKD-BLVKFPJESA-N 0 0 349.833 4.059 20 10 EICDRN Cc1n[nH]c(C)c1Nc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001174217671 1050849971 /nfs/dbraw/zinc/84/99/71/1050849971.db2.gz PNZQLZVHNHWKJK-UHFFFAOYSA-N 0 0 326.787 4.050 20 10 EICDRN CN(C)c1ccc(/C=C/C(=O)NCc2cccc(C(F)F)c2)cc1 ZINC001180128729 1050880808 /nfs/dbraw/zinc/88/08/08/1050880808.db2.gz QYCRKMQLCJQUKR-DHZHZOJOSA-N 0 0 330.378 4.020 20 10 EICDRN CN(C)c1ccc(/C=C/C(=O)N[C@@H](c2ccccc2F)C2CC2)cc1 ZINC001180129743 1050881218 /nfs/dbraw/zinc/88/12/18/1050881218.db2.gz FKKSNABKBSEAJM-ZGQNHIEXSA-N 0 0 338.426 4.172 20 10 EICDRN CN(C)c1ccc(/C=C/C(=O)Nc2ccccc2-c2ccncc2)cc1 ZINC001180128292 1050892471 /nfs/dbraw/zinc/89/24/71/1050892471.db2.gz IDDNHDKJPQEJKM-FMIVXFBMSA-N 0 0 343.430 4.467 20 10 EICDRN Cc1nn(C)cc1Nc1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001174335682 1050894808 /nfs/dbraw/zinc/89/48/08/1050894808.db2.gz BMYICROXHIBLEM-UHFFFAOYSA-N 0 0 325.799 4.357 20 10 EICDRN Cc1c(Nc2ccccc2C(=O)c2ccc(Cl)cc2)cnn1C ZINC001174391372 1050907037 /nfs/dbraw/zinc/90/70/37/1050907037.db2.gz BNOVKUOPKVOHQD-UHFFFAOYSA-N 0 0 325.799 4.357 20 10 EICDRN C[C@@H](c1nc2ccccc2s1)N(C)Cc1cc(F)c(F)cc1O ZINC001180249723 1050933750 /nfs/dbraw/zinc/93/37/50/1050933750.db2.gz YFXDNZVYSRBHNA-JTQLQIEISA-N 0 0 334.391 4.473 20 10 EICDRN CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001180349506 1050966300 /nfs/dbraw/zinc/96/63/00/1050966300.db2.gz MMLDENMLXBWJLN-QGHHPUGFSA-N 0 0 341.785 4.190 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001180379348 1050975924 /nfs/dbraw/zinc/97/59/24/1050975924.db2.gz ZCGHBUFWAOYVNS-INIZCTEOSA-N 0 0 337.847 4.475 20 10 EICDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001180419588 1050996481 /nfs/dbraw/zinc/99/64/81/1050996481.db2.gz APUCYYTYIKOECR-NVXWUHKLSA-N 0 0 343.854 4.321 20 10 EICDRN COc1ccc2c(c1)CCCN2Cc1ccc(Br)cc1O ZINC001180716465 1051064029 /nfs/dbraw/zinc/06/40/29/1051064029.db2.gz RTTVYDFNQXAMFY-UHFFFAOYSA-N 0 0 348.240 4.116 20 10 EICDRN CC(C)[C@@H](Sc1ncc(Cl)s1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001189833338 1051072438 /nfs/dbraw/zinc/07/24/38/1051072438.db2.gz VIGCTDJVNSILSK-NTZNESFSSA-N 0 0 346.949 4.418 20 10 EICDRN Nc1ccc(N(c2cnn([C@H]3CCCCO3)c2)c2ccc(N)cc2)cc1 ZINC001174604376 1051104791 /nfs/dbraw/zinc/10/47/91/1051104791.db2.gz JCWMEEJZEOFUAU-HXUWFJFHSA-N 0 0 349.438 4.216 20 10 EICDRN CCc1nc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)cs1 ZINC001190042433 1051106942 /nfs/dbraw/zinc/10/69/42/1051106942.db2.gz LVQMIRCOBVPXLP-UHFFFAOYSA-N 0 0 337.448 4.135 20 10 EICDRN Nc1ccc(Cc2ccc(Nc3cnn([C@@H]4CCCCO4)c3)cc2)cc1 ZINC001174612076 1051108401 /nfs/dbraw/zinc/10/84/01/1051108401.db2.gz ROXDISRLHXEWJO-NRFANRHFSA-N 0 0 348.450 4.499 20 10 EICDRN CC12CC3(C)CC(C)(C1)CC(C(=O)NCc1ccccc1O)(C2)C3 ZINC000773397426 1051130434 /nfs/dbraw/zinc/13/04/34/1051130434.db2.gz KYYVMNJKRHWDKV-UHFFFAOYSA-N 0 0 327.468 4.395 20 10 EICDRN COc1c([O-])c(C[NH+](CC(C)(C)C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC001181536215 1051249311 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[O-]c1c(F)cccc1C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC001182327948 1051501052 /nfs/dbraw/zinc/50/10/52/1051501052.db2.gz WXPJJAJXBKIATJ-UHFFFAOYSA-N 0 0 335.369 4.264 20 10 EICDRN Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774207356 1051502191 /nfs/dbraw/zinc/50/21/91/1051502191.db2.gz JIONZLBDKKCLJC-BZNIZROVSA-N 0 0 340.250 4.392 20 10 EICDRN C[N@H+](Cc1ccc(Br)cc1[O-])C1CCC(F)(F)CC1 ZINC000691684999 1051514011 /nfs/dbraw/zinc/51/40/11/1051514011.db2.gz YBYFCAALDFSBOL-UHFFFAOYSA-N 0 0 334.204 4.164 20 10 EICDRN CCc1cccc(NC(=S)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774256006 1051526230 /nfs/dbraw/zinc/52/62/30/1051526230.db2.gz MCADALDYYJTTKW-CQSZACIVSA-N 0 0 327.497 4.363 20 10 EICDRN C[C@@H](NC(=S)N[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000774257376 1051531654 /nfs/dbraw/zinc/53/16/54/1051531654.db2.gz PVFBVZIQBZJCOQ-LSDHHAIUSA-N 0 0 327.497 4.039 20 10 EICDRN Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774259127 1051531848 /nfs/dbraw/zinc/53/18/48/1051531848.db2.gz PVRFIIMWXCXAOK-RNCFNFMXSA-N 0 0 346.279 4.453 20 10 EICDRN Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774259134 1051531950 /nfs/dbraw/zinc/53/19/50/1051531950.db2.gz PVRFIIMWXCXAOK-ZANVPECISA-N 0 0 346.279 4.453 20 10 EICDRN C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774269770 1051538410 /nfs/dbraw/zinc/53/84/10/1051538410.db2.gz BYTDCJVWIUDKEQ-LLVKDONJSA-N 0 0 340.250 4.085 20 10 EICDRN CCN(CCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(OC)cc1 ZINC001191839914 1051566893 /nfs/dbraw/zinc/56/68/93/1051566893.db2.gz UJCPHYBRACASTJ-UHFFFAOYSA-N 0 0 348.487 4.311 20 10 EICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cccc2n[nH]cc21 ZINC001182470605 1051610568 /nfs/dbraw/zinc/61/05/68/1051610568.db2.gz ONZHIZRMJSUZLZ-QGZVFWFLSA-N 0 0 335.451 4.406 20 10 EICDRN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2ccccc2)no1 ZINC000774482539 1051610888 /nfs/dbraw/zinc/61/08/88/1051610888.db2.gz GUTGHBKAPYSBEU-LSDHHAIUSA-N 0 0 336.439 4.214 20 10 EICDRN CC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510039 1051654012 /nfs/dbraw/zinc/65/40/12/1051654012.db2.gz URXSHVOYSOPOGU-MJVIPROJSA-N 0 0 331.287 4.222 20 10 EICDRN CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775520579 1051678096 /nfs/dbraw/zinc/67/80/96/1051678096.db2.gz UIACHGPIWMDIKP-GXFFZTMASA-N 0 0 328.243 4.025 20 10 EICDRN Cc1cc(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)ccc1F ZINC001192367993 1051706933 /nfs/dbraw/zinc/70/69/33/1051706933.db2.gz CHSKGBILQXTTSU-UHFFFAOYSA-N 0 0 341.430 4.398 20 10 EICDRN Cc1nc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)sc1C ZINC001192606207 1051776437 /nfs/dbraw/zinc/77/64/37/1051776437.db2.gz JAFMAIHVFAUGQK-UHFFFAOYSA-N 0 0 337.448 4.189 20 10 EICDRN Cc1nc(C2CCCCC2)sc1C(=O)NCc1ccccc1O ZINC000775543422 1051804751 /nfs/dbraw/zinc/80/47/51/1051804751.db2.gz VIOZAKZFWDIPAY-UHFFFAOYSA-N 0 0 330.453 4.135 20 10 EICDRN Cc1ccc(CNc2cccc(CN=S3(=O)CCCC3)c2)c(O)c1 ZINC001183355138 1051825929 /nfs/dbraw/zinc/82/59/29/1051825929.db2.gz 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O=C(CN1CCC[C@H](F)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001176804065 1052194935 /nfs/dbraw/zinc/19/49/35/1052194935.db2.gz LQPDHVDSXYLELF-HNNXBMFYSA-N 0 0 340.402 4.474 20 10 EICDRN CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2c(F)cccc2F)c1O ZINC000774866969 1052228243 /nfs/dbraw/zinc/22/82/43/1052228243.db2.gz XBJQJVQDWDRTMH-VIFPVBQESA-N 0 0 339.769 4.377 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1[O-] ZINC000185156927 1052494358 /nfs/dbraw/zinc/49/43/58/1052494358.db2.gz VCDANDCJKCVTRJ-UONOGXRCSA-N 0 0 342.414 4.070 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccnn1CC1CC1 ZINC000763798943 1052516670 /nfs/dbraw/zinc/51/66/70/1052516670.db2.gz QUUUNGPOWBHZSQ-UHFFFAOYSA-N 0 0 340.452 4.014 20 10 EICDRN C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(F)cc1[O-] ZINC000185406715 1052595306 /nfs/dbraw/zinc/59/53/06/1052595306.db2.gz VJLIGHQFSDLCSF-ZUOKHONESA-N 0 0 325.383 4.069 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(-n2cccn2)cc1 ZINC000185611371 1052657901 /nfs/dbraw/zinc/65/79/01/1052657901.db2.gz IKHOXOFFYHGTGI-KGLIPLIRSA-N 0 0 325.387 4.129 20 10 EICDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1cccc(-n2cccn2)c1 ZINC000185616492 1052662419 /nfs/dbraw/zinc/66/24/19/1052662419.db2.gz RCLNTUGVWLUSKX-ZIAGYGMSSA-N 0 0 325.387 4.129 20 10 EICDRN CC(C)(C)C[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1(C)C ZINC001299247724 1052757952 /nfs/dbraw/zinc/75/79/52/1052757952.db2.gz FBVYOSROHQEMQD-VIHMKRCTSA-N 0 0 331.456 4.174 20 10 EICDRN Cc1c(F)c(F)ccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001299266528 1052820490 /nfs/dbraw/zinc/82/04/90/1052820490.db2.gz NHLLCJBPDKAZDS-UHFFFAOYSA-N 0 0 335.331 4.151 20 10 EICDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cc(F)cc(Cl)c1 ZINC000764211471 1053042613 /nfs/dbraw/zinc/04/26/13/1053042613.db2.gz KULLLRATHBIIJO-UHFFFAOYSA-N 0 0 345.805 4.177 20 10 EICDRN CCC[C@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn21)C(C)C ZINC000764281919 1053051538 /nfs/dbraw/zinc/05/15/38/1053051538.db2.gz DRHSDGDVFVNZQF-HNNXBMFYSA-N 0 0 336.439 4.407 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2nc(C)ccc2c1 ZINC000119609372 1053076519 /nfs/dbraw/zinc/07/65/19/1053076519.db2.gz UPZFCWBGPROLDO-UHFFFAOYSA-N 0 0 334.419 4.301 20 10 EICDRN COc1ccsc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000764412925 1053097613 /nfs/dbraw/zinc/09/76/13/1053097613.db2.gz GXZNLLVJCHHUJC-ZROIWOOFSA-N 0 0 347.486 4.158 20 10 EICDRN CC(=O)[C@H](C)CCCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000863941842 1053099153 /nfs/dbraw/zinc/09/91/53/1053099153.db2.gz MZWOPSKMDBPEBS-QGZVFWFLSA-N 0 0 346.515 4.275 20 10 EICDRN COc1cc(O)c(CNc2cccc(C(F)(F)F)c2C)cc1OC ZINC000864025033 1053159378 /nfs/dbraw/zinc/15/93/78/1053159378.db2.gz LLCNYMDYKQEWOR-UHFFFAOYSA-N 0 0 341.329 4.349 20 10 EICDRN COc1cc(CNc2ccc3cn[nH]c3c2)c(O)c(C(C)(C)C)c1 ZINC000864043468 1053183700 /nfs/dbraw/zinc/18/37/00/1053183700.db2.gz OTVWBKBSLNMXJT-UHFFFAOYSA-N 0 0 325.412 4.187 20 10 EICDRN COc1cccc(OCCN(C)c2ccc(-c3nccs3)cc2)c1 ZINC001194992913 1053219496 /nfs/dbraw/zinc/21/94/96/1053219496.db2.gz JPWXNJVVCNECIO-UHFFFAOYSA-N 0 0 340.448 4.334 20 10 EICDRN CC[C@H]([NH2+]CCc1noc2ccccc21)c1cccc(Cl)c1[O-] ZINC000850482066 1053252858 /nfs/dbraw/zinc/25/28/58/1053252858.db2.gz DSGYWOCSEBUBLQ-HNNXBMFYSA-N 0 0 330.815 4.470 20 10 EICDRN C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000850482027 1053254264 /nfs/dbraw/zinc/25/42/64/1053254264.db2.gz MCNUPRXIPMLULJ-PSASIEDQSA-N 0 0 348.668 4.026 20 10 EICDRN CC[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1[O-] ZINC000850486000 1053257391 /nfs/dbraw/zinc/25/73/91/1053257391.db2.gz PYIVDTMUYDIBCH-LBPRGKRZSA-N 0 0 345.752 4.095 20 10 EICDRN CC[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1cccc(Cl)c1[O-] ZINC000850500465 1053260614 /nfs/dbraw/zinc/26/06/14/1053260614.db2.gz HBLSZGIHHHWGIP-KRWDZBQOSA-N 0 0 345.874 4.282 20 10 EICDRN O=C([O-])C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000864524672 1053304444 /nfs/dbraw/zinc/30/44/44/1053304444.db2.gz YCUZYQSFNQSEBY-LJQANCHMSA-N 0 0 344.499 4.048 20 10 EICDRN CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C)c1ccc(F)cc1[O-] ZINC000850554436 1053308911 /nfs/dbraw/zinc/30/89/11/1053308911.db2.gz JPIDWIDILVZQSC-SXLOBPIMSA-N 0 0 331.431 4.330 20 10 EICDRN CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000850554444 1053310823 /nfs/dbraw/zinc/31/08/23/1053310823.db2.gz JPLJQOKXVPAHOG-RZAIGCCYSA-N 0 0 335.394 4.079 20 10 EICDRN COc1cc2c(c(OC)c1)N(CCCCC1CCOCC1)CCC2 ZINC001195176626 1053319050 /nfs/dbraw/zinc/31/90/50/1053319050.db2.gz BZMNIFJHFBMWHO-UHFFFAOYSA-N 0 0 333.472 4.053 20 10 EICDRN Cc1nc(-c2cccc(NCc3cc4c(cc3O)OCO4)c2)cs1 ZINC000120133714 1053324671 /nfs/dbraw/zinc/32/46/71/1053324671.db2.gz OHSRKAJBFDTLKL-UHFFFAOYSA-N 0 0 340.404 4.165 20 10 EICDRN CC[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850572734 1053327032 /nfs/dbraw/zinc/32/70/32/1053327032.db2.gz OPGKGKTVJCRVOH-JOYOIKCWSA-N 0 0 328.243 4.234 20 10 EICDRN CC[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000850574354 1053329974 /nfs/dbraw/zinc/32/99/74/1053329974.db2.gz XPTNGVYYKFDNRW-KKXDTOCCSA-N 0 0 333.859 4.251 20 10 EICDRN CN(C)c1ccc(CNC(=O)Oc2ccccc2C(F)(F)F)cc1 ZINC001195208459 1053331425 /nfs/dbraw/zinc/33/14/25/1053331425.db2.gz AVWTXXJTMAGKOS-UHFFFAOYSA-N 0 0 338.329 4.060 20 10 EICDRN C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])c1ccccc1 ZINC000850583594 1053336283 /nfs/dbraw/zinc/33/62/83/1053336283.db2.gz MCJHCYSNZLHOPC-MMPTUQATSA-N 0 0 340.250 4.472 20 10 EICDRN Nc1cccnc1NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195261653 1053349823 /nfs/dbraw/zinc/34/98/23/1053349823.db2.gz ICHUIKFTJGSHNW-GHVJWSGMSA-N 0 0 333.351 4.037 20 10 EICDRN CCN(C)c1ccc(CN2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)cc1 ZINC001195450942 1053402697 /nfs/dbraw/zinc/40/26/97/1053402697.db2.gz AITSBCSACZPADQ-HRAATJIYSA-N 0 0 342.458 4.244 20 10 EICDRN CC[C@H](Nc1ccc(N2CCOCC2)cc1)c1ccc(C)cc1O ZINC000794813597 1053420086 /nfs/dbraw/zinc/42/00/86/1053420086.db2.gz AELKTWHCFXJNGF-IBGZPJMESA-N 0 0 326.440 4.100 20 10 EICDRN CC[C@@H](Nc1ccc(N2CCOCC2)cc1C)c1ccc(C)cc1O ZINC000794813660 1053421493 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CC[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000794836662 1053472758 /nfs/dbraw/zinc/47/27/58/1053472758.db2.gz VQMDQRWEUCWHBW-FZMZJTMJSA-N 0 0 332.271 4.291 20 10 EICDRN CCO[C@H]1CCCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000109984703 1053475358 /nfs/dbraw/zinc/47/53/58/1053475358.db2.gz CNUDELMCNHBBMM-SFHVURJKSA-N 0 0 340.467 4.044 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000775669851 1053477425 /nfs/dbraw/zinc/47/74/25/1053477425.db2.gz RDQMDNHSOCLVOF-MJGOQNOKSA-N 0 0 349.833 4.273 20 10 EICDRN COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c(C)c1 ZINC000765263367 1053481286 /nfs/dbraw/zinc/48/12/86/1053481286.db2.gz VVIBYXKFHWFPHW-UHFFFAOYSA-N 0 0 326.223 4.306 20 10 EICDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCc3ccc(F)cc32)c1 ZINC000794837812 1053494992 /nfs/dbraw/zinc/49/49/92/1053494992.db2.gz ZTACVEHEGYQQMP-KPZWWZAWSA-N 0 0 343.398 4.046 20 10 EICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000775674466 1053502720 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Cc1cc(CN(CC(=O)OC(C)(C)C)CC(C)(C)C)ccc1N(C)C ZINC001196357350 1053649898 /nfs/dbraw/zinc/64/98/98/1053649898.db2.gz LFRSYAMVWSRSDZ-UHFFFAOYSA-N 0 0 348.531 4.251 20 10 EICDRN Cc1cccc(NC(=S)NCc2nccc(Cl)c2Cl)c1C ZINC001196440654 1053661449 /nfs/dbraw/zinc/66/14/49/1053661449.db2.gz CFVOYYPFTZTNEV-UHFFFAOYSA-N 0 0 340.279 4.492 20 10 EICDRN Cc1cccc(NC(=S)NCc2ncccc2C(F)(F)F)c1C ZINC001196431199 1053671267 /nfs/dbraw/zinc/67/12/67/1053671267.db2.gz AOUYSYVLELGWEJ-UHFFFAOYSA-N 0 0 339.386 4.204 20 10 EICDRN Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000775724409 1053691038 /nfs/dbraw/zinc/69/10/38/1053691038.db2.gz CKXABJRLCJYQKG-MLGOLLRUSA-N 0 0 337.872 4.378 20 10 EICDRN C[C@@H](c1cccs1)N1C(=O)/C(=C/c2ccccn2)SC1=S ZINC000102486525 1053696390 /nfs/dbraw/zinc/69/63/90/1053696390.db2.gz VOSBTMQNLSCLTP-AVMBBCFPSA-N 0 0 332.475 4.106 20 10 EICDRN CC(C)n1ncnc1COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000853725414 1053701972 /nfs/dbraw/zinc/70/19/72/1053701972.db2.gz QKODJLKMDPDEID-UHFFFAOYSA-N 0 0 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CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N1CCCCC1 ZINC000725841793 1031345316 /nfs/dbraw/zinc/34/53/16/1031345316.db2.gz ZSYZZBRUBUBSOB-UHFFFAOYSA-N 0 0 331.287 4.053 20 10 EICDRN CCCO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177152919 1031357462 /nfs/dbraw/zinc/35/74/62/1031357462.db2.gz GDISDVIEIGXJLI-MRXNPFEDSA-N 0 0 339.863 4.029 20 10 EICDRN CC[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000375894738 1031449302 /nfs/dbraw/zinc/44/93/02/1031449302.db2.gz GIGKBOCRSAWERB-QUCCMNQESA-N 0 0 339.414 4.095 20 10 EICDRN CC[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1ccc(F)cc1[O-] ZINC000375894657 1031450180 /nfs/dbraw/zinc/45/01/80/1031450180.db2.gz GALKLFQVOPCKPP-IBGZPJMESA-N 0 0 339.414 4.173 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)c1cccnc1 ZINC000729626335 1031662621 /nfs/dbraw/zinc/66/26/21/1031662621.db2.gz CCNBSCDVQLPLLA-CQSZACIVSA-N 0 0 325.437 4.042 20 10 EICDRN Cc1cc(C(=O)N(CC(C)C)CC(C)C)c(C)n1-c1ccccn1 ZINC000729626265 1031665304 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CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cccc(OC)c1O ZINC000054701590 1035605626 /nfs/dbraw/zinc/60/56/26/1035605626.db2.gz SUKXQORCQVVUKT-KRWDZBQOSA-N 0 0 346.814 4.031 20 10 EICDRN CC[C@@H]1CN(C(=O)/C=C/c2cnc(C)s2)c2cccc(Cl)c2O1 ZINC001268999842 1035708789 /nfs/dbraw/zinc/70/87/89/1035708789.db2.gz GQCJMFZHUYGOAS-ABZNLYFFSA-N 0 0 348.855 4.322 20 10 EICDRN OCC1(C[C@@H](O)CNc2ccc(Nc3ccccc3)cc2)CCCC1 ZINC000905301114 1035796040 /nfs/dbraw/zinc/79/60/40/1035796040.db2.gz QYQAORHLULELBE-HXUWFJFHSA-N 0 0 340.467 4.146 20 10 EICDRN COc1cc(Cl)cc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000761195173 1036020527 /nfs/dbraw/zinc/02/05/27/1036020527.db2.gz IAKXSEMJXNNVRZ-SCLBCKFNSA-N 0 0 347.842 4.016 20 10 EICDRN COc1cc(Cl)cc(CNc2ccc(OCC(F)F)cc2)c1O ZINC000761201603 1036026834 /nfs/dbraw/zinc/02/68/34/1036026834.db2.gz FNWFKINMAGRGSA-UHFFFAOYSA-N 0 0 343.757 4.310 20 10 EICDRN COc1cccc2cc(CN(C)c3ccc(OC)c(OC)c3)oc21 ZINC000761219861 1036189467 /nfs/dbraw/zinc/18/94/67/1036189467.db2.gz DQCNRCYCYAQGBH-UHFFFAOYSA-N 0 0 327.380 4.095 20 10 EICDRN CCOc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c(C)c1 ZINC000055805601 1036224677 /nfs/dbraw/zinc/22/46/77/1036224677.db2.gz XNSMRYLGRGEQMX-UHFFFAOYSA-N 0 0 349.390 4.210 20 10 EICDRN CCCc1c(NCc2cccc(C)c2O)cnn1-c1cc(C)ccn1 ZINC000761228032 1036290921 /nfs/dbraw/zinc/29/09/21/1036290921.db2.gz GGJMPFOBAUYSES-UHFFFAOYSA-N 0 0 336.439 4.154 20 10 EICDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000060678544 1036349989 /nfs/dbraw/zinc/34/99/89/1036349989.db2.gz NLUGPZUJEAJBGC-UHFFFAOYSA-N 0 0 336.357 4.044 20 10 EICDRN Cc1cc(C(=O)Nc2ccc3c(c2)CCCO3)c(C)n1-c1ccccn1 ZINC000170635575 1036739840 /nfs/dbraw/zinc/73/98/40/1036739840.db2.gz IOBOXFXQMHVWIH-UHFFFAOYSA-N 0 0 347.418 4.066 20 10 EICDRN Cc1cc(CN[C@H](c2nccs2)c2ccccc2)ccc1N(C)C ZINC000271768146 1037011196 /nfs/dbraw/zinc/01/11/96/1037011196.db2.gz DQSRYCDWUWWMQM-IBGZPJMESA-N 0 0 337.492 4.397 20 10 EICDRN C[C@H](c1cccs1)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057661486 1037156928 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EICDRN CC[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1cccc(Cl)c1[O-] ZINC000806128720 1047148101 /nfs/dbraw/zinc/14/81/01/1047148101.db2.gz NWPSNAMFKWXCCP-MSOLQXFVSA-N 0 0 332.875 4.389 20 10 EICDRN CC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806130734 1047155057 /nfs/dbraw/zinc/15/50/57/1047155057.db2.gz CZGXCNICNANEBS-HUUCEWRRSA-N 0 0 331.287 4.080 20 10 EICDRN CC[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cccc(Cl)c1[O-] ZINC000806130558 1047155480 /nfs/dbraw/zinc/15/54/80/1047155480.db2.gz ARAAEDJFPCFKPB-HOTGVXAUSA-N 0 0 335.879 4.398 20 10 EICDRN CC[C@H](Nc1cccc(C(=O)N(C)CC)c1)c1ccc(C)cc1O ZINC000806170315 1047158315 /nfs/dbraw/zinc/15/83/15/1047158315.db2.gz QIWMUCLKQYFHPL-SFHVURJKSA-N 0 0 326.440 4.356 20 10 EICDRN C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cc(F)cc(F)c1[O-] ZINC000806176353 1047163162 /nfs/dbraw/zinc/16/31/62/1047163162.db2.gz KQQQJZRNKKAIDZ-MGPLVRAMSA-N 0 0 341.785 4.098 20 10 EICDRN CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1cccc(Cl)c1[O-] ZINC000806141211 1047168631 /nfs/dbraw/zinc/16/86/31/1047168631.db2.gz QHHWIYABQUSCCJ-NVGVWMPQSA-N 0 0 337.822 4.348 20 10 EICDRN CC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccc(F)cc1)c1cccc(Cl)c1[O-] ZINC000806141212 1047168980 /nfs/dbraw/zinc/16/89/80/1047168980.db2.gz QHHWIYABQUSCCJ-ZTFRIQLXSA-N 0 0 337.822 4.348 20 10 EICDRN CC[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cccc(Cl)c1[O-] ZINC000806146267 1047169915 /nfs/dbraw/zinc/16/99/15/1047169915.db2.gz MOSWRKMLCAXZKR-QZTJIDSGSA-N 0 0 331.843 4.400 20 10 EICDRN CC[C@@H]([NH2+]CCc1cscn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144857 1047171591 /nfs/dbraw/zinc/17/15/91/1047171591.db2.gz WFZAXAZBTWJWCF-CYBMUJFWSA-N 0 0 331.268 4.439 20 10 EICDRN CC[C@@H](Nc1cnn(Cc2ccccn2)c1)c1cccc(Cl)c1O ZINC000806154315 1047180896 /nfs/dbraw/zinc/18/08/96/1047180896.db2.gz DZTZCNYZVJMCFA-QGZVFWFLSA-N 0 0 342.830 4.249 20 10 EICDRN CC[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1cccc(Cl)c1[O-] ZINC000806159080 1047181997 /nfs/dbraw/zinc/18/19/97/1047181997.db2.gz XIOLWGOUNDZHDN-KBPBESRZSA-N 0 0 339.769 4.498 20 10 EICDRN CC[C@@H]([NH2+]Cc1nnc(C)s1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157277 1047183432 /nfs/dbraw/zinc/18/34/32/1047183432.db2.gz DAUPVFZMHPHESK-LLVKDONJSA-N 0 0 332.256 4.100 20 10 EICDRN COc1ccccc1CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788503244 1047206454 /nfs/dbraw/zinc/20/64/54/1047206454.db2.gz MNZKJTHTIUXVPE-GFCCVEGCSA-N 0 0 339.357 4.313 20 10 EICDRN CN(C)c1ccc(CNCc2cc(F)c(Cl)cc2F)cc1F ZINC000788531702 1047228430 /nfs/dbraw/zinc/22/84/30/1047228430.db2.gz DXVSHYRHMOXOPS-UHFFFAOYSA-N 0 0 328.765 4.113 20 10 EICDRN Clc1cccc2c1[C@@H](NCc1ccc(N3CCCC3)cc1)COC2 ZINC000788527762 1047229531 /nfs/dbraw/zinc/22/95/31/1047229531.db2.gz ZHRJPCUUQWHNAN-IBGZPJMESA-N 0 0 342.870 4.301 20 10 EICDRN C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc(C(F)(F)F)c1[O-] ZINC000788604030 1047245502 /nfs/dbraw/zinc/24/55/02/1047245502.db2.gz SMBAKPWVWKCFOQ-ZUZCIYMTSA-N 0 0 345.386 4.031 20 10 EICDRN COc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000918000202 1047269070 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Cc1cc(C(=O)NCC[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000918018341 1047291018 /nfs/dbraw/zinc/29/10/18/1047291018.db2.gz RLCQCQGBTYRVOY-KRWDZBQOSA-N 0 0 346.858 4.046 20 10 EICDRN C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1cccc(C(F)(F)F)c1[O-] ZINC000788735450 1047295530 /nfs/dbraw/zinc/29/55/30/1047295530.db2.gz AYDSZYXUNBCDAI-VHSXEESVSA-N 0 0 330.375 4.322 20 10 EICDRN COCC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccco1 ZINC000788735330 1047297745 /nfs/dbraw/zinc/29/77/45/1047297745.db2.gz PNCDUFKLJATXPA-FZMZJTMJSA-N 0 0 343.345 4.432 20 10 EICDRN CN(C)c1ccc(CN(C(=O)NCCCC2CCCC2)C2CC2)cc1 ZINC000918069194 1047302318 /nfs/dbraw/zinc/30/23/18/1047302318.db2.gz PZPJCUIJEXGQAR-UHFFFAOYSA-N 0 0 343.515 4.397 20 10 EICDRN CN(C)c1ccc(CN(C(=O)NCCC2CCCC2)C2CC2)cc1 ZINC000918068843 1047303745 /nfs/dbraw/zinc/30/37/45/1047303745.db2.gz DABQSRRGYSDOOO-UHFFFAOYSA-N 0 0 329.488 4.007 20 10 EICDRN CC[C@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918074926 1047307150 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CCC(CC)(CC)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000760383842 1047346143 /nfs/dbraw/zinc/34/61/43/1047346143.db2.gz FZKVKSCAIFJARP-UHFFFAOYSA-N 0 0 334.529 4.072 20 10 EICDRN Cc1cccc(N(Cc2ccccc2)C(=O)/C=C/c2cnccn2)c1 ZINC000918147007 1047347114 /nfs/dbraw/zinc/34/71/14/1047347114.db2.gz DZDKGTZYCUJNCI-ZHACJKMWSA-N 0 0 329.403 4.032 20 10 EICDRN Cc1cc(Br)cc([C@H](C)N[C@H](C)C(F)(F)F)c1O ZINC000806660873 1047347861 /nfs/dbraw/zinc/34/78/61/1047347861.db2.gz QDASPAMBJOLMGZ-JGVFFNPUSA-N 0 0 326.156 4.065 20 10 EICDRN COc1cccc(CNC(=O)Nc2cccc(-c3ccccc3)c2)c1O ZINC000806760568 1047356513 /nfs/dbraw/zinc/35/65/13/1047356513.db2.gz JNGKWKNMJBKFDR-UHFFFAOYSA-N 0 0 348.402 4.390 20 10 EICDRN CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000918208914 1047380759 /nfs/dbraw/zinc/38/07/59/1047380759.db2.gz JYAIPTVIZJNMDJ-IEBWSBKVSA-N 0 0 329.488 4.055 20 10 EICDRN C[C@@H](NC(=O)N(C)C1CCC(F)(F)CC1)c1ccc(N(C)C)cc1 ZINC000807140870 1047417161 /nfs/dbraw/zinc/41/71/61/1047417161.db2.gz OXNHSLZRRBXMKZ-CYBMUJFWSA-N 0 0 339.430 4.033 20 10 EICDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000789767946 1047469574 /nfs/dbraw/zinc/46/95/74/1047469574.db2.gz FSYCAZGEFJHJSI-HNNXBMFYSA-N 0 0 330.859 4.052 20 10 EICDRN COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)C1=CC(=O)CS1 ZINC000807679405 1047483392 /nfs/dbraw/zinc/48/33/92/1047483392.db2.gz HGHDQSIBOFEFPI-IUODEOHRSA-N 0 0 331.437 4.076 20 10 EICDRN CC(=O)c1cc(C(=O)Nc2cccc(N3CCCCC3)c2)ccc1C ZINC000789904492 1047490006 /nfs/dbraw/zinc/49/00/06/1047490006.db2.gz AOCKWWNKAYZLFU-UHFFFAOYSA-N 0 0 336.435 4.440 20 10 EICDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1cccc(Cl)c1Cl ZINC000789977680 1047497135 /nfs/dbraw/zinc/49/71/35/1047497135.db2.gz XDFKMDOPUDPAIH-ZETCQYMHSA-N 0 0 344.169 4.035 20 10 EICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2cc1N ZINC000918553378 1047505584 /nfs/dbraw/zinc/50/55/84/1047505584.db2.gz ABVYGLZKMYMSTG-UHFFFAOYSA-N 0 0 347.462 4.150 20 10 EICDRN CC[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC(F)(F)F ZINC000897973651 1047511642 /nfs/dbraw/zinc/51/16/42/1047511642.db2.gz IZQQIJYGYYWDKC-QMMMGPOBSA-N 0 0 347.358 4.021 20 10 EICDRN C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142534370 1047555583 /nfs/dbraw/zinc/55/55/83/1047555583.db2.gz HHGVMGZYMPHNMO-UHFFFAOYSA-N 0 0 347.283 4.201 20 10 EICDRN C[C@]1(C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)CC=CCC1 ZINC001142540789 1047565867 /nfs/dbraw/zinc/56/58/67/1047565867.db2.gz NEUOZWNLCHTSRH-ZTTIFVMESA-N 0 0 335.411 4.352 20 10 EICDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cnn(CC2CCC2)c1 ZINC000898181709 1047576269 /nfs/dbraw/zinc/57/62/69/1047576269.db2.gz MKQVLYBJCWYUQG-LLVKDONJSA-N 0 0 337.826 4.032 20 10 EICDRN COc1ccc(O)c([C@@H](C)Nc2cccc3c2OCC[C@H]3OC)c1 ZINC000790500217 1047600344 /nfs/dbraw/zinc/60/03/44/1047600344.db2.gz OCPJBSCKTMTGAD-KZULUSFZSA-N 0 0 329.396 4.044 20 10 EICDRN CCCc1nccnc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001131145471 1047601391 /nfs/dbraw/zinc/60/13/91/1047601391.db2.gz WTPGCJQVGKPVKP-UHFFFAOYSA-N 0 0 348.450 4.018 20 10 EICDRN [O-]c1c(Br)cccc1C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000814169347 1047873645 /nfs/dbraw/zinc/87/36/45/1047873645.db2.gz FPIWFSVCUYQITN-UHFFFAOYSA-N 0 0 346.268 4.323 20 10 EICDRN CCCOc1cccc(/C=C2/SC(=S)N(C3CCC3)C2=O)c1 ZINC000814185983 1047881620 /nfs/dbraw/zinc/88/16/20/1047881620.db2.gz SSNYKTMVCHDAQQ-RVDMUPIBSA-N 0 0 333.478 4.229 20 10 EICDRN COc1ccc(-n2c(C)cc(C(=O)N(C)C3CCCC3)c2C)cc1 ZINC000216847211 1047893796 /nfs/dbraw/zinc/89/37/96/1047893796.db2.gz GOTCEAXFJMLVHZ-UHFFFAOYSA-N 0 0 326.440 4.117 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)c(C)cc1OC ZINC000824617795 1047895672 /nfs/dbraw/zinc/89/56/72/1047895672.db2.gz LIYRIEPEDLOCLE-UHFFFAOYSA-N 0 0 342.439 4.462 20 10 EICDRN CCCCN(C(=O)c1ccc(C)c(O)c1O)[C@@H](C)c1ccccc1 ZINC001136930090 1047911295 /nfs/dbraw/zinc/91/12/95/1047911295.db2.gz XQWWRDOMKOPTPV-HNNXBMFYSA-N 0 0 327.424 4.410 20 10 EICDRN CC(C)[C@H](Sc1nccs1)C(=O)N1c2ccccc2C[C@H]1C ZINC000919677021 1047970247 /nfs/dbraw/zinc/97/02/47/1047970247.db2.gz UPHIGTNBFNBXQS-DOMZBBRYSA-N 0 0 332.494 4.238 20 10 EICDRN Cc1cc(O)c(CNc2ccccc2O[C@@H]2CCOC2)cc1Cl ZINC000824975599 1048013537 /nfs/dbraw/zinc/01/35/37/1048013537.db2.gz GRIUSHBLHRHREB-CQSZACIVSA-N 0 0 333.815 4.134 20 10 EICDRN Cc1cc(CN[C@H]2C[C@@H](C)n3ccnc32)c(C)n1-c1cccc(C)c1 ZINC000825017569 1048018627 /nfs/dbraw/zinc/01/86/27/1048018627.db2.gz UZROKAISWUPQGO-QRWLVFNGSA-N 0 0 334.467 4.395 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825046086 1048025628 /nfs/dbraw/zinc/02/56/28/1048025628.db2.gz QAHCWPMOOSYYIJ-LBPRGKRZSA-N 0 0 345.723 4.379 20 10 EICDRN COc1ccc(N(CCC2CCOCC2)Cc2ccco2)cc1F ZINC000814628100 1048095079 /nfs/dbraw/zinc/09/50/79/1048095079.db2.gz GNAMXOLTCBSRPT-UHFFFAOYSA-N 0 0 333.403 4.251 20 10 EICDRN COC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cccc(Cl)c1 ZINC000808731786 1048096175 /nfs/dbraw/zinc/09/61/75/1048096175.db2.gz ALGBVUMYAFBDLY-MGPLVRAMSA-N 0 0 341.785 4.362 20 10 EICDRN Cc1cc(C(=O)NCc2nccs2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749347772 1048111697 /nfs/dbraw/zinc/11/16/97/1048111697.db2.gz HEACQCYLOHFJDS-UHFFFAOYSA-N 0 0 339.464 4.097 20 10 EICDRN CN(C)c1ccc(CN(C(=O)c2cccc3ccncc32)C2CC2)cc1 ZINC000843527492 1048119160 /nfs/dbraw/zinc/11/91/60/1048119160.db2.gz STVAZULXIALCRX-UHFFFAOYSA-N 0 0 345.446 4.106 20 10 EICDRN COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1C(F)(F)F ZINC001143646263 1048134567 /nfs/dbraw/zinc/13/45/67/1048134567.db2.gz LOHTVIGBWRYZPT-UHFFFAOYSA-N 0 0 325.330 4.052 20 10 EICDRN Cc1ccsc1CCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000747977190 1048174429 /nfs/dbraw/zinc/17/44/29/1048174429.db2.gz XIAJEAIETQIZTH-UHFFFAOYSA-N 0 0 343.492 4.280 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)c2nccs2)cc1 ZINC000217221841 1048186513 /nfs/dbraw/zinc/18/65/13/1048186513.db2.gz LXHVMWGGONLIHG-UHFFFAOYSA-N 0 0 339.464 4.216 20 10 EICDRN CC(C)CCSCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000919882071 1048217591 /nfs/dbraw/zinc/21/75/91/1048217591.db2.gz JWSUPGHSKCTCJT-UHFFFAOYSA-N 0 0 336.545 4.269 20 10 EICDRN Cc1nc(CNc2cc(Cl)ccc2C(=O)c2ccc(F)cc2)no1 ZINC000809195093 1048265713 /nfs/dbraw/zinc/26/57/13/1048265713.db2.gz NCPSMJQVIXAQDB-UHFFFAOYSA-N 0 0 345.761 4.014 20 10 EICDRN Cn1cncc1CNc1cc(Cl)ccc1C(=O)c1ccc(F)cc1 ZINC000809195583 1048266856 /nfs/dbraw/zinc/26/68/56/1048266856.db2.gz UQDOJHNEZFHTTO-UHFFFAOYSA-N 0 0 343.789 4.056 20 10 EICDRN CC(C)Oc1ccc(N(C)Cc2ccnc(Br)c2)cc1 ZINC000815102200 1048346068 /nfs/dbraw/zinc/34/60/68/1048346068.db2.gz GHBXVTAWCHQFFN-UHFFFAOYSA-N 0 0 335.245 4.268 20 10 EICDRN Oc1cccc2c1CN(Cc1cccc(C(F)(F)F)c1F)CC2 ZINC001138011949 1048425117 /nfs/dbraw/zinc/42/51/17/1048425117.db2.gz ODYKOPDYZWJWQI-UHFFFAOYSA-N 0 0 325.305 4.108 20 10 EICDRN COc1cccc(O)c1CN(Cc1cccnc1)Cc1ccccc1C ZINC000809735574 1048484546 /nfs/dbraw/zinc/48/45/46/1048484546.db2.gz KWFXSTKDQPNYSL-UHFFFAOYSA-N 0 0 348.446 4.307 20 10 EICDRN CCN(CC)c1ccc(CN2CCCC[C@@H]2c2nc(C)no2)cc1F ZINC000809718781 1048495592 /nfs/dbraw/zinc/49/55/92/1048495592.db2.gz OZEPRFBIGOZEAU-GOSISDBHSA-N 0 0 346.450 4.091 20 10 EICDRN C[C@@H]([NH2+]CCOc1ccccc1F)c1cccc(C(F)(F)F)c1[O-] ZINC000815553437 1048505719 /nfs/dbraw/zinc/50/57/19/1048505719.db2.gz ADSOAUOQXQWUAM-LLVKDONJSA-N 0 0 343.320 4.280 20 10 EICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cc(F)c(F)cc1F ZINC000809775388 1048505714 /nfs/dbraw/zinc/50/57/14/1048505714.db2.gz AJBJFLWUCOLJRZ-UHFFFAOYSA-N 0 0 336.140 4.406 20 10 EICDRN COCc1ccccc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815555787 1048507299 /nfs/dbraw/zinc/50/72/99/1048507299.db2.gz IAZLZAZEUUDINP-LBPRGKRZSA-N 0 0 339.357 4.408 20 10 EICDRN Cc1csc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000815558884 1048507453 /nfs/dbraw/zinc/50/74/53/1048507453.db2.gz QWABMPQDYOAXTH-JTQLQIEISA-N 0 0 330.375 4.069 20 10 EICDRN CC[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000809764388 1048525594 /nfs/dbraw/zinc/52/55/94/1048525594.db2.gz FSOHTOTUEISYIT-HNNXBMFYSA-N 0 0 335.245 4.133 20 10 EICDRN C[C@@H]([NH2+]CC1(CO)CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815596110 1048529188 /nfs/dbraw/zinc/52/91/88/1048529188.db2.gz KWMUUJKRFDVIJO-GFCCVEGCSA-N 0 0 331.378 4.004 20 10 EICDRN CC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccc(OC)cc1 ZINC000844862574 1048531569 /nfs/dbraw/zinc/53/15/69/1048531569.db2.gz MBBWGTFPTISQJO-MRXNPFEDSA-N 0 0 348.830 4.005 20 10 EICDRN O=C1OCc2ccc(NCc3cc(-c4ccccc4)ccc3O)cc21 ZINC000809788817 1048534410 /nfs/dbraw/zinc/53/44/10/1048534410.db2.gz PXHALIOSKPVTFB-UHFFFAOYSA-N 0 0 331.371 4.342 20 10 EICDRN CCc1nc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cs1 ZINC000815573474 1048537011 /nfs/dbraw/zinc/53/70/11/1048537011.db2.gz LKJWKOZUFUAEGU-SNVBAGLBSA-N 0 0 344.402 4.323 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815576451 1048538853 /nfs/dbraw/zinc/53/88/53/1048538853.db2.gz QPPLHJYUIRUAAO-NWDGAFQWSA-N 0 0 339.357 4.398 20 10 EICDRN CO[C@H](CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C(F)(F)F ZINC000815619140 1048545885 /nfs/dbraw/zinc/54/58/85/1048545885.db2.gz DQEFZLCWIJPNPO-GZMMTYOYSA-N 0 0 345.283 4.029 20 10 EICDRN CO[C@@H](CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C(F)(F)F ZINC000815619142 1048546498 /nfs/dbraw/zinc/54/64/98/1048546498.db2.gz DQEFZLCWIJPNPO-KWQFWETISA-N 0 0 345.283 4.029 20 10 EICDRN C[C@H](N[C@H](C1CC1)C(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000815626586 1048548125 /nfs/dbraw/zinc/54/81/25/1048548125.db2.gz HROKASYIGDDGCK-JVXZTZIISA-N 0 0 327.268 4.403 20 10 EICDRN C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000815627045 1048550248 /nfs/dbraw/zinc/55/02/48/1048550248.db2.gz RRMFPQJMKAVWIN-NWDGAFQWSA-N 0 0 337.341 4.238 20 10 EICDRN CC[C@H](Nc1ccc(F)c(NC(N)=O)c1)c1cc(Cl)ccc1O ZINC000815632501 1048553508 /nfs/dbraw/zinc/55/35/08/1048553508.db2.gz OSEKTAYDKXUIGJ-ZDUSSCGKSA-N 0 0 337.782 4.239 20 10 EICDRN C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000815650343 1048574414 /nfs/dbraw/zinc/57/44/14/1048574414.db2.gz PCUVKWSPFNXWQO-MRVPVSSYSA-N 0 0 347.283 4.262 20 10 EICDRN COc1cccc(OC)c1OCCCCOc1ccc(N(C)C)cc1 ZINC000810001041 1048600110 /nfs/dbraw/zinc/60/01/10/1048600110.db2.gz VFZGUTRLVULYFH-UHFFFAOYSA-N 0 0 345.439 4.008 20 10 EICDRN CC(C)c1cccc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)c1 ZINC000920280468 1048629235 /nfs/dbraw/zinc/62/92/35/1048629235.db2.gz JFVDOQPBULBINR-VAWYXSNFSA-N 0 0 331.419 4.429 20 10 EICDRN COc1ccc(N(C)Cc2ccccc2C(F)(F)F)cc1OC ZINC000920418819 1048670676 /nfs/dbraw/zinc/67/06/76/1048670676.db2.gz MWUZJGDICPPOEO-UHFFFAOYSA-N 0 0 325.330 4.359 20 10 EICDRN C[C@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001144501158 1048700138 /nfs/dbraw/zinc/70/01/38/1048700138.db2.gz NFSVNMOJUIZPDD-KRWDZBQOSA-N 0 0 346.430 4.270 20 10 EICDRN CCc1nnc(C[NH2+][C@H](CC)c2ccc(Cl)c(Cl)c2[O-])s1 ZINC000810260588 1048712561 /nfs/dbraw/zinc/71/25/61/1048712561.db2.gz MMGNQFHDUGDGNO-SNVBAGLBSA-N 0 0 346.283 4.354 20 10 EICDRN CC(C)c1scnc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000810246944 1048727906 /nfs/dbraw/zinc/72/79/06/1048727906.db2.gz QUEPNIHCTYAGHD-UHFFFAOYSA-N 0 0 343.496 4.187 20 10 EICDRN CC[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(F)cc1[O-] ZINC000810253142 1048729674 /nfs/dbraw/zinc/72/96/74/1048729674.db2.gz MQOXKNKIKRCGLJ-YJBOKZPZSA-N 0 0 335.444 4.122 20 10 EICDRN O=C([C@@H]1C[C@@H]1C1CCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000845792617 1048733170 /nfs/dbraw/zinc/73/31/70/1048733170.db2.gz HQYHVZYHLKAQAJ-RTBURBONSA-N 0 0 339.435 4.340 20 10 EICDRN O=C(NC1CCCCC1)c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000845992285 1048779008 /nfs/dbraw/zinc/77/90/08/1048779008.db2.gz NHMWWHVLAXYXRB-UHFFFAOYSA-N 0 0 342.414 4.206 20 10 EICDRN CS[C@@H](C)CCC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001132267691 1048787402 /nfs/dbraw/zinc/78/74/02/1048787402.db2.gz LXLGLXCBXYZEKR-HNNXBMFYSA-N 0 0 330.497 4.242 20 10 EICDRN Cc1cc(CNC(=O)/C=C/c2ccsc2)c(C)n1-c1ccccc1 ZINC001132267533 1048787465 /nfs/dbraw/zinc/78/74/65/1048787465.db2.gz IZZRULWEMNDLBI-CMDGGOBGSA-N 0 0 336.460 4.485 20 10 EICDRN COc1ccc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cc1C ZINC001132267101 1048787665 /nfs/dbraw/zinc/78/76/65/1048787665.db2.gz 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/nfs/dbraw/zinc/34/50/50/1051345050.db2.gz DDCMDQQSUIKEKU-ZDUSSCGKSA-N 0 0 329.469 4.357 20 10 EICDRN O=C(NCc1cc(Cl)c2cccnc2c1O)[C@@H]1CC12CCCCC2 ZINC001181908241 1051346138 /nfs/dbraw/zinc/34/61/38/1051346138.db2.gz JPGKWURLDVPLBW-AWEZNQCLSA-N 0 0 344.842 4.180 20 10 EICDRN COc1cc(OC)cc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1 ZINC001175109851 1051354586 /nfs/dbraw/zinc/35/45/86/1051354586.db2.gz APCCFWPUTCWIGW-UHFFFAOYSA-N 0 0 335.407 4.338 20 10 EICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC001182035478 1051376546 /nfs/dbraw/zinc/37/65/46/1051376546.db2.gz ZVHOULGBVRRVBI-UHFFFAOYSA-N 0 0 348.233 4.175 20 10 EICDRN CC(C)Cc1ccc([C@H](C)NC(=O)CCc2ccc(O)c(O)c2)cc1 ZINC001182157029 1051407094 /nfs/dbraw/zinc/40/70/94/1051407094.db2.gz FGNABLIXGCSKPG-HNNXBMFYSA-N 0 0 341.451 4.106 20 10 EICDRN O=C(N1CCc2cccc(O)c2C1)C1(c2cccc(Cl)c2)CCC1 ZINC001182249352 1051441288 /nfs/dbraw/zinc/44/12/88/1051441288.db2.gz LRVOGXPBEUQSCI-UHFFFAOYSA-N 0 0 341.838 4.052 20 10 EICDRN Brc1ccnc(NCc2ccc(N3CCCCC3)cc2)c1 ZINC000775460981 1051462447 /nfs/dbraw/zinc/46/24/47/1051462447.db2.gz TXNSAQGANDEVRJ-UHFFFAOYSA-N 0 0 346.272 4.447 20 10 EICDRN C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774120912 1051463895 /nfs/dbraw/zinc/46/38/95/1051463895.db2.gz VZTDCZPYYAOUJL-QMTHXVAHSA-N 0 0 343.254 4.246 20 10 EICDRN C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774198291 1051497458 /nfs/dbraw/zinc/49/74/58/1051497458.db2.gz OMZDRTKOGIBHSI-MEDUHNTESA-N 0 0 340.250 4.473 20 10 EICDRN COc1ccc(N(c2ccc(N)cc2)c2ccc(N(C)C)nc2)cc1 ZINC001175344331 1051511367 /nfs/dbraw/zinc/51/13/67/1051511367.db2.gz DXLWWORKRIKBFN-UHFFFAOYSA-N 0 0 334.423 4.208 20 10 EICDRN FC(F)(F)Oc1ccc2c(c1)CCCN2C[C@H]1CCC2(CCC2)O1 ZINC001191723210 1051519740 /nfs/dbraw/zinc/51/97/40/1051519740.db2.gz NSMWSTIBFCIBKQ-OAHLLOKOSA-N 0 0 341.373 4.440 20 10 EICDRN C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774245976 1051520787 /nfs/dbraw/zinc/52/07/87/1051520787.db2.gz WSKSMWYGTBAVCB-BJOHPYRUSA-N 0 0 344.213 4.222 20 10 EICDRN C[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000774252793 1051522394 /nfs/dbraw/zinc/52/23/94/1051522394.db2.gz DBYPHPFBCQTWBE-GFCCVEGCSA-N 0 0 333.888 4.454 20 10 EICDRN C[C@H](NC(=S)N[C@@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC000774259731 1051532427 /nfs/dbraw/zinc/53/24/27/1051532427.db2.gz XFMFEQDPLNJTQL-STQMWFEESA-N 0 0 333.526 4.100 20 10 EICDRN Oc1ccccc1CN(Cc1ccco1)c1ncnc2ccccc21 ZINC000775482523 1051552909 /nfs/dbraw/zinc/55/29/09/1051552909.db2.gz NZQCVRSNMPXZBS-UHFFFAOYSA-N 0 0 331.375 4.135 20 10 EICDRN Nc1ccc(CCc2ccc(Nc3cnc4n[nH]cc4c3)cc2)cc1 ZINC001175404252 1051576628 /nfs/dbraw/zinc/57/66/28/1051576628.db2.gz YIDAXKNXPJLITG-UHFFFAOYSA-N 0 0 329.407 4.069 20 10 EICDRN C[S@@](=O)c1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1 ZINC001175478986 1051607815 /nfs/dbraw/zinc/60/78/15/1051607815.db2.gz KYJBNDGNJHVVQY-XMMPIXPASA-N 0 0 337.448 4.058 20 10 EICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cccc2n[nH]cc21 ZINC001182470603 1051611822 /nfs/dbraw/zinc/61/18/22/1051611822.db2.gz ONZHIZRMJSUZLZ-KRWDZBQOSA-N 0 0 335.451 4.406 20 10 EICDRN Cn1ncc2cccc(Nc3ccccc3Cc3ccc(N)cc3)c21 ZINC001175447939 1051622186 /nfs/dbraw/zinc/62/21/86/1051622186.db2.gz ZWWJRUPTYXWDKZ-UHFFFAOYSA-N 0 0 328.419 4.490 20 10 EICDRN CC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513881 1051662202 /nfs/dbraw/zinc/66/22/02/1051662202.db2.gz VWHHDWZJNAPNBN-PGUXBMHVSA-N 0 0 343.298 4.365 20 10 EICDRN CCNC(=O)c1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1 ZINC001175634062 1051685661 /nfs/dbraw/zinc/68/56/61/1051685661.db2.gz SMKBAQRHAWWZEK-UHFFFAOYSA-N 0 0 346.434 4.071 20 10 EICDRN CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524693 1051707752 /nfs/dbraw/zinc/70/77/52/1051707752.db2.gz WDLJRRLPVTXVLB-XVKPBYJWSA-N 0 0 346.176 4.053 20 10 EICDRN COc1ccc(CNc2cc(C)cc(C(F)(F)F)c2)c(O)c1OC ZINC001182782508 1051711434 /nfs/dbraw/zinc/71/14/34/1051711434.db2.gz RUTSIGHYWKEGIV-UHFFFAOYSA-N 0 0 341.329 4.349 20 10 EICDRN COc1ccc(N(C)CC[C@H](C)OCc2ccccc2)c(OC)c1 ZINC001192402752 1051722497 /nfs/dbraw/zinc/72/24/97/1051722497.db2.gz WZWAAWQLIFOKOI-INIZCTEOSA-N 0 0 329.440 4.135 20 10 EICDRN CC[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1cc(Cl)ccc1O ZINC000775525611 1051726746 /nfs/dbraw/zinc/72/67/46/1051726746.db2.gz XPSPNKJSZGYFKJ-KKXDTOCCSA-N 0 0 333.859 4.251 20 10 EICDRN Cc1cc(C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c(C)n1C ZINC001192446556 1051737765 /nfs/dbraw/zinc/73/77/65/1051737765.db2.gz HCETXFVPQPBXKD-IBGZPJMESA-N 0 0 340.467 4.018 20 10 EICDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)C2=CCCCC2)cc1 ZINC001175753257 1051767669 /nfs/dbraw/zinc/76/76/69/1051767669.db2.gz NJEQWNOHQWWFIR-UHFFFAOYSA-N 0 0 342.464 4.230 20 10 EICDRN Cc1nc(C2CCCCC2)sc1C(=O)N(C)Cc1ccccc1O ZINC000775542718 1051797732 /nfs/dbraw/zinc/79/77/32/1051797732.db2.gz NXJUERUJXYRPTA-UHFFFAOYSA-N 0 0 344.480 4.477 20 10 EICDRN Cn1ccc2c1cccc2-n1c(N)c(/N=N/c2ccccc2)ccc1=N ZINC001175863764 1051826027 /nfs/dbraw/zinc/82/60/27/1051826027.db2.gz ZHFITKHSAPJHSS-JBUPZVEHSA-N 0 0 342.406 4.446 20 10 EICDRN CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CCO2 ZINC000775574224 1051876270 /nfs/dbraw/zinc/87/62/70/1051876270.db2.gz OJSOHHMRDMNUDV-GTNSWQLSSA-N 0 0 349.377 4.244 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1cnc2ccccc2c1 ZINC001183727391 1051890065 /nfs/dbraw/zinc/89/00/65/1051890065.db2.gz IYVLPCATDVGJKW-UHFFFAOYSA-N 0 0 330.790 4.065 20 10 EICDRN C[C@H](C[NH2+]Cc1c([O-])cccc1F)c1ccc(C(F)(F)F)cc1 ZINC001183920056 1051927522 /nfs/dbraw/zinc/92/75/22/1051927522.db2.gz UGNWSAQLEKPJJJ-LLVKDONJSA-N 0 0 327.321 4.443 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc2c(c1)CCC2 ZINC000066700385 1051968255 /nfs/dbraw/zinc/96/82/55/1051968255.db2.gz FLUVDMUHOFMZHA-UHFFFAOYSA-N 0 0 338.451 4.003 20 10 EICDRN C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CN(Cc2ccccc2)C1 ZINC001184265913 1051981514 /nfs/dbraw/zinc/98/15/14/1051981514.db2.gz WPRQPNVDVASMLG-QAPCUYQASA-N 0 0 344.886 4.046 20 10 EICDRN Nc1ccc(Cc2ccc(Nc3ccc4c(c3)CC(=O)N4)cc2)cc1 ZINC001176430076 1052052079 /nfs/dbraw/zinc/05/20/79/1052052079.db2.gz BTGSJNUWPYSEPN-UHFFFAOYSA-N 0 0 329.403 4.098 20 10 EICDRN CC(C)Oc1ncccc1-n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001176733816 1052177379 /nfs/dbraw/zinc/17/73/79/1052177379.db2.gz ROSXQJXLMLWWGL-GEQPAYBISA-N 0 0 348.410 4.137 20 10 EICDRN C[C@@H](NC(=O)N1CC[C@H]1c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773610606 1052231513 /nfs/dbraw/zinc/23/15/13/1052231513.db2.gz FCXBXGFOJGXASL-KUHUBIRLSA-N 0 0 341.430 4.109 20 10 EICDRN C[C@H](NC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1)c1ccc(N(C)C)cc1 ZINC000773615523 1052233528 /nfs/dbraw/zinc/23/35/28/1052233528.db2.gz DHPZODCPHOPAIQ-GUXCAODWSA-N 0 0 329.488 4.035 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2CSC)c1 ZINC000184822673 1052237495 /nfs/dbraw/zinc/23/74/95/1052237495.db2.gz ZHGCKOWPYQZRPN-LBPRGKRZSA-N 0 0 346.452 4.147 20 10 EICDRN Oc1cc2c(cc1CN1CCSC[C@H]1c1nccs1)CCCC2 ZINC000184875475 1052274123 /nfs/dbraw/zinc/27/41/23/1052274123.db2.gz IEKZGOXEEXWQNK-INIZCTEOSA-N 0 0 346.521 4.018 20 10 EICDRN C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000184911990 1052295023 /nfs/dbraw/zinc/29/50/23/1052295023.db2.gz PCXQRDCRDIFFOO-SNVBAGLBSA-N 0 0 329.293 4.281 20 10 EICDRN C[C@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000185469379 1052610927 /nfs/dbraw/zinc/61/09/27/1052610927.db2.gz VQBLCFOMKHZVQV-HOTGVXAUSA-N 0 0 342.458 4.408 20 10 EICDRN CC[C@@H](O)CCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000763947716 1052653713 /nfs/dbraw/zinc/65/37/13/1052653713.db2.gz CNHUMPIFJALDRW-QGZVFWFLSA-N 0 0 326.400 4.385 20 10 EICDRN O=C1/C(=C\c2ccsc2)SC(=S)N1c1ccc(F)cc1F ZINC000073139237 1052763452 /nfs/dbraw/zinc/76/34/52/1052763452.db2.gz PNERJLKRNKRDPI-LFYBBSHMSA-N 0 0 339.413 4.432 20 10 EICDRN Cc1ccc(SC[C@H](C)NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000185933336 1052829969 /nfs/dbraw/zinc/82/99/69/1052829969.db2.gz ASFBZNBCTIWDLD-HNNXBMFYSA-N 0 0 344.480 4.023 20 10 EICDRN COCc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)o1 ZINC000764414146 1053097731 /nfs/dbraw/zinc/09/77/31/1053097731.db2.gz PVLAMPZWHAEWEC-DHDCSXOGSA-N 0 0 345.445 4.140 20 10 EICDRN CSCc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775614046 1053106021 /nfs/dbraw/zinc/10/60/21/1053106021.db2.gz XGIARQRZSJVLOM-CQSZACIVSA-N 0 0 343.496 4.498 20 10 EICDRN CC(C)NC(=O)c1ccc(Cl)c(NCc2ccc(N(C)C)cc2)c1 ZINC000863999622 1053120283 /nfs/dbraw/zinc/12/02/83/1053120283.db2.gz VXEYVEOTJOWIGC-UHFFFAOYSA-N 0 0 345.874 4.156 20 10 EICDRN CC(C)c1ccc(NC(=S)NCc2ccc(N(C)C)cc2)cc1 ZINC000007371603 1053124791 /nfs/dbraw/zinc/12/47/91/1053124791.db2.gz NRSOUCYUZCQDQE-UHFFFAOYSA-N 0 0 327.497 4.363 20 10 EICDRN CSCC1(CC[NH2+]Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000850355453 1053128746 /nfs/dbraw/zinc/12/87/46/1053128746.db2.gz FGNPQXAEDOOYKU-UHFFFAOYSA-N 0 0 344.318 4.086 20 10 EICDRN CCOc1cccc(CNc2ccc3c(c2)[C@@H](O)CCCC3)c1O ZINC000850363129 1053136635 /nfs/dbraw/zinc/13/66/35/1053136635.db2.gz RTFIMUXHZMOFTA-SFHVURJKSA-N 0 0 327.424 4.163 20 10 EICDRN COc1nccc2c(NCc3c(O)ccc(Cl)c3F)cccc21 ZINC000864013783 1053141963 /nfs/dbraw/zinc/14/19/63/1053141963.db2.gz DXDSGHAECPMRFE-UHFFFAOYSA-N 0 0 332.762 4.354 20 10 EICDRN C[C@H](Nc1cccc(-n2nccn2)c1)c1ccc2ccccc2c1O ZINC000864021393 1053155131 /nfs/dbraw/zinc/15/51/31/1053155131.db2.gz BMMMOAOWCLCZOT-AWEZNQCLSA-N 0 0 330.391 4.299 20 10 EICDRN C[C@H](Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1ccc(F)cc1O ZINC000864024295 1053158401 /nfs/dbraw/zinc/15/84/01/1053158401.db2.gz YNMXYAUNFHWQON-BJOHPYRUSA-N 0 0 329.293 4.300 20 10 EICDRN CN(Cc1ccc(CO)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000864025740 1053162302 /nfs/dbraw/zinc/16/23/02/1053162302.db2.gz UGPHERBIDJVNKX-UHFFFAOYSA-N 0 0 333.431 4.394 20 10 EICDRN CC(C)[C@@H](O)[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850395444 1053165019 /nfs/dbraw/zinc/16/50/19/1053165019.db2.gz SHEFINXWIGCDKL-ZWKOTPCHSA-N 0 0 337.822 4.033 20 10 EICDRN COc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1C ZINC000850416289 1053189796 /nfs/dbraw/zinc/18/97/96/1053189796.db2.gz GCYNUBSEMOFDIO-UHFFFAOYSA-N 0 0 326.223 4.306 20 10 EICDRN CN(C)c1ccc(CNC(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000101601881 1053247589 /nfs/dbraw/zinc/24/75/89/1053247589.db2.gz KBCNGUYWYHSPKH-UHFFFAOYSA-N 0 0 341.455 4.000 20 10 EICDRN C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000850482030 1053253099 /nfs/dbraw/zinc/25/30/99/1053253099.db2.gz MCNUPRXIPMLULJ-WPRPVWTQSA-N 0 0 348.668 4.026 20 10 EICDRN CN(Cc1nc2c(s1)CCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000775634237 1053255753 /nfs/dbraw/zinc/25/57/53/1053255753.db2.gz QCCVMHGYAZCPDU-UHFFFAOYSA-N 0 0 341.524 4.254 20 10 EICDRN CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000850499663 1053261103 /nfs/dbraw/zinc/26/11/03/1053261103.db2.gz UIRRNOPTAMUJBP-ZHAHWJHGSA-N 0 0 341.242 4.037 20 10 EICDRN O=C1/C(=C/c2ccc3occc3c2)SC(=S)N1c1cccnc1 ZINC000794684537 1053266485 /nfs/dbraw/zinc/26/64/85/1053266485.db2.gz CEEUDEWOVQLUOU-DHDCSXOGSA-N 0 0 338.413 4.234 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])c1cscn1 ZINC000850512144 1053268019 /nfs/dbraw/zinc/26/80/19/1053268019.db2.gz WRGOFCCZPYOGFE-JGVFFNPUSA-N 0 0 345.237 4.162 20 10 EICDRN Cc1ccncc1CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850508998 1053270486 /nfs/dbraw/zinc/27/04/86/1053270486.db2.gz WXPUFDNTRZNCLX-LLVKDONJSA-N 0 0 325.239 4.296 20 10 EICDRN CC[C@@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1cccc(Cl)c1[O-] ZINC000850513612 1053272145 /nfs/dbraw/zinc/27/21/45/1053272145.db2.gz HPKQWAUCMZVPGW-QZTJIDSGSA-N 0 0 349.858 4.483 20 10 EICDRN CC[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000850520995 1053276007 /nfs/dbraw/zinc/27/60/07/1053276007.db2.gz LMSKHEYCENNGMC-GHMZBOCLSA-N 0 0 340.197 4.164 20 10 EICDRN Cc1cccc(NC(=O)CN(C)Cc2cc(Cl)cc(C)c2O)c1C ZINC000775642384 1053302348 /nfs/dbraw/zinc/30/23/48/1053302348.db2.gz GNRZJTFKVLWUKI-UHFFFAOYSA-N 0 0 346.858 4.041 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(CSC)c2)c1 ZINC000109388613 1053303454 /nfs/dbraw/zinc/30/34/54/1053303454.db2.gz KOZPGTURAUYDCV-GFCCVEGCSA-N 0 0 346.452 4.147 20 10 EICDRN C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1[O-] ZINC000850555534 1053311576 /nfs/dbraw/zinc/31/15/76/1053311576.db2.gz HRVRXPKFYRTNOJ-FVMDXXJSSA-N 0 0 344.213 4.222 20 10 EICDRN CCN(C)c1ccc([C@H](C)N[C@H](c2nccn2C)c2ccccc2)cc1 ZINC000764811209 1053321844 /nfs/dbraw/zinc/32/18/44/1053321844.db2.gz XHJLZKWYBIBIGD-UWJYYQICSA-N 0 0 348.494 4.316 20 10 EICDRN CC[C@H]([NH2+]C[C@H](O)[C@H](C)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000850574348 1053329536 /nfs/dbraw/zinc/32/95/36/1053329536.db2.gz XPTNGVYYKFDNRW-BVGQSLNGSA-N 0 0 333.859 4.251 20 10 EICDRN C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccccc1 ZINC000850584623 1053334416 /nfs/dbraw/zinc/33/44/16/1053334416.db2.gz RXOJDSPQTXLAEW-MQIPJXDCSA-N 0 0 339.357 4.184 20 10 EICDRN COc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000764859660 1053343852 /nfs/dbraw/zinc/34/38/52/1053343852.db2.gz 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/nfs/dbraw/zinc/36/16/09/1053361609.db2.gz IKBBEUVBMDDCCX-UHFFFAOYSA-N 0 0 328.481 4.354 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCCCc2cccs2)c1 ZINC000109627622 1053386909 /nfs/dbraw/zinc/38/69/09/1053386909.db2.gz VWHWOGVJDZZVSP-CQSZACIVSA-N 0 0 347.480 4.443 20 10 EICDRN Cc1ccc(C(=O)C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC000775659247 1053419828 /nfs/dbraw/zinc/41/98/28/1053419828.db2.gz ZKBILWPSKWQQQA-UHFFFAOYSA-N 0 0 343.854 4.449 20 10 EICDRN Cn1c2ccc(Cl)cc2nc1/C(Cl)=C\c1cn(C2CC2)cn1 ZINC000865216179 1053443776 /nfs/dbraw/zinc/44/37/76/1053443776.db2.gz ABHKCOKTSZTWTP-NTUHNPAUSA-N 0 0 333.222 4.495 20 10 EICDRN CCc1ccccc1NC(=O)NCc1cccc(Br)c1O ZINC000765218211 1053469488 /nfs/dbraw/zinc/46/94/88/1053469488.db2.gz NPGJXDXPASGGCO-UHFFFAOYSA-N 0 0 349.228 4.039 20 10 EICDRN Cc1cc(C[N@@H+]2[C@H](C)CC[C@H](C(=O)[O-])[C@@H]2C)ccc1N1CCCCC1 ZINC000851708413 1053508281 /nfs/dbraw/zinc/50/82/81/1053508281.db2.gz FOTIHBLXYCXVPF-AOIWGVFYSA-N 0 0 344.499 4.059 20 10 EICDRN 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4.226 20 10 EICDRN CN(Cc1ccccc1O)C(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000866597698 1053800453 /nfs/dbraw/zinc/80/04/53/1053800453.db2.gz XWNFOKGPSZQPML-HXUWFJFHSA-N 0 0 338.451 4.110 20 10 EICDRN C[C@H](NCc1ncc(Br)s1)c1cc(Cl)ccc1O ZINC000866619358 1053808527 /nfs/dbraw/zinc/80/85/27/1053808527.db2.gz BLOITKDNZNQPBV-ZETCQYMHSA-N 0 0 347.665 4.115 20 10 EICDRN COc1ccc(O)c(CNc2ccc(OC)c(OC3CCCC3)c2)c1 ZINC000775754308 1053815712 /nfs/dbraw/zinc/81/57/12/1053815712.db2.gz UBQKDYVBXOSDMX-UHFFFAOYSA-N 0 0 343.423 4.343 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccc(C(F)F)cc2)c1 ZINC000866765489 1053824581 /nfs/dbraw/zinc/82/45/81/1053824581.db2.gz VZOSVSZQYTXKEQ-GFCCVEGCSA-N 0 0 349.377 4.148 20 10 EICDRN COc1ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 ZINC000776781405 1053873619 /nfs/dbraw/zinc/87/36/19/1053873619.db2.gz BICWBNYHYUTVGA-CQSZACIVSA-N 0 0 346.858 4.358 20 10 EICDRN CC1(C)[C@H](c2ccccc2F)CCN1C(=O)Nc1ccc(N)cc1 ZINC000868164047 1053879931 /nfs/dbraw/zinc/87/99/31/1053879931.db2.gz 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CC[C@@H](Nc1ccc(OCCOC)c(F)c1)c1ccc(N(C)C)cc1 ZINC000776873559 1054019102 /nfs/dbraw/zinc/01/91/02/1054019102.db2.gz RBMQAHYWDKNSPA-LJQANCHMSA-N 0 0 346.446 4.480 20 10 EICDRN Cc1ncsc1/C=C/C(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000776879043 1054038070 /nfs/dbraw/zinc/03/80/70/1054038070.db2.gz QZFDHMJCOUAKMO-ABZNLYFFSA-N 0 0 330.478 4.240 20 10 EICDRN CC(C)Oc1ccccc1NC(=O)NCc1cc(Cl)ccc1O ZINC001198000048 1054043953 /nfs/dbraw/zinc/04/39/53/1054043953.db2.gz YUYWUCCPRCJYMA-UHFFFAOYSA-N 0 0 334.803 4.155 20 10 EICDRN Oc1ccccc1CNc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000122922448 1054061692 /nfs/dbraw/zinc/06/16/92/1054061692.db2.gz IYLZEPNBQRDJRS-UHFFFAOYSA-N 0 0 333.313 4.209 20 10 EICDRN Cc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)nc1 ZINC000122979398 1054068549 /nfs/dbraw/zinc/06/85/49/1054068549.db2.gz PFIDZPFUGDPCOK-OQLLNIDSSA-N 0 0 326.446 4.104 20 10 EICDRN FC(F)(F)c1cccc(NC(=S)NCc2cccc(Cl)n2)c1 ZINC001198070553 1054074688 /nfs/dbraw/zinc/07/46/88/1054074688.db2.gz QHDXDNWWPFYZFF-UHFFFAOYSA-N 0 0 345.777 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1054388940 /nfs/dbraw/zinc/38/89/40/1054388940.db2.gz NKOFBEWQKGDSBF-SNVBAGLBSA-N 0 0 348.256 4.007 20 10 EICDRN C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000872106568 1054390628 /nfs/dbraw/zinc/39/06/28/1054390628.db2.gz GTWKDXCIWDSZKQ-MRVPVSSYSA-N 0 0 346.330 4.232 20 10 EICDRN C[C@@H](NCc1ncc(Cl)s1)c1ccc(Br)cc1O ZINC000872114890 1054393664 /nfs/dbraw/zinc/39/36/64/1054393664.db2.gz DDORKYUXGCESKE-SSDOTTSWSA-N 0 0 347.665 4.115 20 10 EICDRN C[C@H](NC(=O)Nc1ccc(Cl)c2ncccc12)c1ccccc1O ZINC001199461993 1054410386 /nfs/dbraw/zinc/41/03/86/1054410386.db2.gz RBDRWERRZQUODH-NSHDSACASA-N 0 0 341.798 4.477 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000775979782 1054414052 /nfs/dbraw/zinc/41/40/52/1054414052.db2.gz AUOQGVLUMWUWCD-CQSZACIVSA-N 0 0 346.393 4.291 20 10 EICDRN CC(=O)Nc1c(C)ccc(NCc2cc(F)c(N(C)C)cc2F)c1C ZINC000858104600 1054418769 /nfs/dbraw/zinc/41/87/69/1054418769.db2.gz QSNOPUMQTHSFFS-UHFFFAOYSA-N 0 0 347.409 4.218 20 10 EICDRN 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ZMOQRTMLNJSTCA-UHFFFAOYSA-N 0 0 345.398 4.248 20 10 EICDRN CN(C)c1ccc(CNc2ccc(NC(=O)c3ccccc3)cn2)cc1 ZINC000793338823 1046211368 /nfs/dbraw/zinc/21/13/68/1046211368.db2.gz WAQQBUNFLQWRGX-UHFFFAOYSA-N 0 0 346.434 4.012 20 10 EICDRN C[C@@H]1CC[C@@H](CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000793463816 1046249093 /nfs/dbraw/zinc/24/90/93/1046249093.db2.gz LBBIBLZJUXCFEV-IEBWSBKVSA-N 0 0 343.515 4.255 20 10 EICDRN CCCN(Cc1ccccc1O)C(=O)NCCCc1ccccc1F ZINC000793467276 1046253630 /nfs/dbraw/zinc/25/36/30/1046253630.db2.gz ICUKIPVKJWPVDU-UHFFFAOYSA-N 0 0 344.430 4.086 20 10 EICDRN CC[C@H](Nc1ccc2ccn(C)c(=O)c2c1)c1ccc(N(C)C)cc1 ZINC000793565470 1046294275 /nfs/dbraw/zinc/29/42/75/1046294275.db2.gz PZBIQKSWQNVKQT-FQEVSTJZSA-N 0 0 335.451 4.168 20 10 EICDRN CCN(C)c1ccc([C@H](C)NCc2ccn(Cc3ccccc3)n2)cc1 ZINC000793573934 1046306292 /nfs/dbraw/zinc/30/62/92/1046306292.db2.gz XPFZXTNVXAFLTN-SFHVURJKSA-N 0 0 348.494 4.238 20 10 EICDRN Cc1cc(C(=O)N2CC(C(F)(F)F)C2)c(C)n1-c1cccc(C)c1 ZINC000747138558 1046322361 /nfs/dbraw/zinc/32/23/61/1046322361.db2.gz GQJJNQXGKRKONV-UHFFFAOYSA-N 0 0 336.357 4.037 20 10 EICDRN O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)C1=CC(=O)CS1 ZINC000771065128 1046322724 /nfs/dbraw/zinc/32/27/24/1046322724.db2.gz PHRVHXHVFRKUIW-UHFFFAOYSA-N 0 0 335.388 4.045 20 10 EICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1cnccc1C ZINC000794201727 1046381185 /nfs/dbraw/zinc/38/11/85/1046381185.db2.gz UXXQSAZXKCKLHS-UHFFFAOYSA-N 0 0 339.464 4.131 20 10 EICDRN COCCn1c2ccccc2nc1-c1ccc(N2CCCCC2)cc1 ZINC000916854730 1046392847 /nfs/dbraw/zinc/39/28/47/1046392847.db2.gz MOTPEQUDIGBGKV-UHFFFAOYSA-N 0 0 335.451 4.340 20 10 EICDRN CCOc1ccccc1OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000916855383 1046395410 /nfs/dbraw/zinc/39/54/10/1046395410.db2.gz YSINMWKQURJBQG-UHFFFAOYSA-N 0 0 336.391 4.107 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)c2oc(C(C)C)nc2C)cc1F ZINC000794315925 1046397625 /nfs/dbraw/zinc/39/76/25/1046397625.db2.gz PBKCRWOKWHBODM-UHFFFAOYSA-N 0 0 347.434 4.022 20 10 EICDRN COc1ccc(CNC(=O)c2oc3ccc(Cl)cc3c2C)c(O)c1 ZINC000794379061 1046406241 /nfs/dbraw/zinc/40/62/41/1046406241.db2.gz YHRXAIREJDXWCW-UHFFFAOYSA-N 0 0 345.782 4.039 20 10 EICDRN Cc1ncc(/C=C/C(=O)N2CCCc3c(F)ccc(Cl)c32)s1 ZINC001129524960 1046542151 /nfs/dbraw/zinc/54/21/51/1046542151.db2.gz BTKCGPUCFCKMMZ-QPJJXVBHSA-N 0 0 336.819 4.237 20 10 EICDRN CN(Cc1ccc(N2CCCCC2)cc1)c1cnc2ccccc2n1 ZINC000917016579 1046562894 /nfs/dbraw/zinc/56/28/94/1046562894.db2.gz WSRKBANVIDZNSA-UHFFFAOYSA-N 0 0 332.451 4.257 20 10 EICDRN O=[N+]([O-])c1ccc2nc(NCc3ccc(N4CCCC4)cc3)ccc2c1 ZINC000917062580 1046596521 /nfs/dbraw/zinc/59/65/21/1046596521.db2.gz CQABPMJFNYHOPV-UHFFFAOYSA-N 0 0 348.406 4.355 20 10 EICDRN CC[C@H](C)[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000772522285 1046654760 /nfs/dbraw/zinc/65/47/60/1046654760.db2.gz HHERYGYENFSVSO-HUBLWGQQSA-N 0 0 345.409 4.090 20 10 EICDRN Cc1cc(Cl)c2c(c1)CCCN2C(=O)/C=C\c1cncc(F)c1 ZINC001129692372 1046655968 /nfs/dbraw/zinc/65/59/68/1046655968.db2.gz SKFKLYCUPCBYAS-PLNGDYQASA-N 0 0 330.790 4.175 20 10 EICDRN COCC1(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCCC1 ZINC001129751645 1046699477 /nfs/dbraw/zinc/69/94/77/1046699477.db2.gz WNSMQOUVLDRIRT-UHFFFAOYSA-N 0 0 340.467 4.031 20 10 EICDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)c1ccccc1F ZINC001129814532 1046737607 /nfs/dbraw/zinc/73/76/07/1046737607.db2.gz IGEPZHFADPCQFF-HOTGVXAUSA-N 0 0 342.458 4.051 20 10 EICDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC1(C)CCCCC1 ZINC001129819724 1046740337 /nfs/dbraw/zinc/74/03/37/1046740337.db2.gz LGAYTLAHRHJDKZ-KRWDZBQOSA-N 0 0 330.516 4.469 20 10 EICDRN Cc1oc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000785808028 1046753701 /nfs/dbraw/zinc/75/37/01/1046753701.db2.gz LECMBAPGYQQGKL-UHFFFAOYSA-N 0 0 326.440 4.076 20 10 EICDRN CC(=O)c1c(F)cccc1NCc1cc(Br)ccc1O ZINC000804828601 1046817966 /nfs/dbraw/zinc/81/79/66/1046817966.db2.gz SYZUEFGSGIVZFF-UHFFFAOYSA-N 0 0 338.176 4.109 20 10 EICDRN Cc1ccc2oc(NCc3cc(Br)ccc3O)nc2c1 ZINC000804828128 1046818555 /nfs/dbraw/zinc/81/85/55/1046818555.db2.gz ITRPBPGCCQNBJX-UHFFFAOYSA-N 0 0 333.185 4.216 20 10 EICDRN C[C@@H]1CCc2[nH]c3ccc(C(=O)N(C)Cc4ccccc4O)cc3c2C1 ZINC000917307547 1046837900 /nfs/dbraw/zinc/83/79/00/1046837900.db2.gz NMGCBZPRBNPQKA-CQSZACIVSA-N 0 0 348.446 4.271 20 10 EICDRN Cc1cc(OCCCC(=O)N(C)Cc2ccccc2O)ccc1Cl ZINC000917309071 1046839606 /nfs/dbraw/zinc/83/96/06/1046839606.db2.gz GYHQOSKFAUFUQK-UHFFFAOYSA-N 0 0 347.842 4.172 20 10 EICDRN O=C(CCC1CCCCC1)NCc1ccc(N2CCSCC2)cc1 ZINC000917386078 1046865433 /nfs/dbraw/zinc/86/54/33/1046865433.db2.gz OCOOWRYFUBLLCS-UHFFFAOYSA-N 0 0 346.540 4.217 20 10 EICDRN CC1CCN(c2cccc(NC(=O)c3ccc4n[nH]cc4c3)c2)CC1 ZINC000746606478 1046868269 /nfs/dbraw/zinc/86/82/69/1046868269.db2.gz DUVSUDYKWKUGPX-UHFFFAOYSA-N 0 0 334.423 4.052 20 10 EICDRN C[C@@H](Nc1ccc2ccc(=O)n(C)c2c1)c1cc2c(cc1O)CCCC2 ZINC000786942471 1046889400 /nfs/dbraw/zinc/88/94/00/1046889400.db2.gz WIBRNYFVZZQSFP-CQSZACIVSA-N 0 0 348.446 4.296 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2cscc2C)cc1 ZINC000787332372 1046981949 /nfs/dbraw/zinc/98/19/49/1046981949.db2.gz NNSWINPTBQOFAR-UHFFFAOYSA-N 0 0 345.512 4.244 20 10 EICDRN Cc1ccc(NCc2cc(F)ccc2O)cc1C(=O)N1CCCCC1 ZINC000787311148 1046991463 /nfs/dbraw/zinc/99/14/63/1046991463.db2.gz SMQOYSZCPQWJBW-UHFFFAOYSA-N 0 0 342.414 4.078 20 10 EICDRN Cc1cccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000917594936 1047016180 /nfs/dbraw/zinc/01/61/80/1047016180.db2.gz OBKOZTPWWLJBEQ-UHFFFAOYSA-N 0 0 339.508 4.422 20 10 EICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(-n2cccc2)cc1 ZINC000917698250 1047067737 /nfs/dbraw/zinc/06/77/37/1047067737.db2.gz WSLLFIBUWDXVSL-UHFFFAOYSA-N 0 0 331.419 4.330 20 10 EICDRN Cc1ccc(C)c(NC(=O)NCc2cc(Br)ccc2O)c1 ZINC000806083574 1047108737 /nfs/dbraw/zinc/10/87/37/1047108737.db2.gz DXJJCHIYPJIACS-UHFFFAOYSA-N 0 0 349.228 4.093 20 10 EICDRN CC[C@H]([NH2+][C@H](C)Cn1ccnc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131453 1047125378 /nfs/dbraw/zinc/12/53/78/1047125378.db2.gz JMVBWEBYWZXZTK-YGRLFVJLSA-N 0 0 328.243 4.025 20 10 EICDRN CC[C@H]([NH2+]Cc1cccc(OCCOC)c1)c1cccc(Cl)c1[O-] ZINC000806132768 1047125694 /nfs/dbraw/zinc/12/56/94/1047125694.db2.gz ZOAHEYXCRLLCEI-SFHVURJKSA-N 0 0 349.858 4.312 20 10 EICDRN CC[C@@H]([NH2+][C@H](C)Cc1cnccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136484 1047131337 /nfs/dbraw/zinc/13/13/37/1047131337.db2.gz YGFQUFZMRQIFJV-MEBBXXQBSA-N 0 0 340.254 4.161 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cccc(Cl)c1[O-] ZINC000806136180 1047132962 /nfs/dbraw/zinc/13/29/62/1047132962.db2.gz UHCFRQGWJOAEBF-QGZVFWFLSA-N 0 0 346.858 4.470 20 10 EICDRN CC[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806137479 1047135681 /nfs/dbraw/zinc/13/56/81/1047135681.db2.gz OQEGFHATNLKMBH-LBPRGKRZSA-N 0 0 347.768 4.045 20 10 EICDRN CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000806137249 1047136492 /nfs/dbraw/zinc/13/64/92/1047136492.db2.gz ICSRTSVFMGFRGC-CQSZACIVSA-N 0 0 342.867 4.001 20 10 EICDRN Cc1cc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000788237630 1047150139 /nfs/dbraw/zinc/15/01/39/1047150139.db2.gz LMSATMNDMSFIMH-HXUWFJFHSA-N 0 0 348.450 4.103 20 10 EICDRN CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc(Cl)c1[O-] ZINC000806129972 1047153073 /nfs/dbraw/zinc/15/30/73/1047153073.db2.gz NHCBRHIAQRXPRJ-CVEARBPZSA-N 0 0 340.250 4.473 20 10 EICDRN CC[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cccc(Cl)c1[O-] ZINC000806128212 1047153389 /nfs/dbraw/zinc/15/33/89/1047153389.db2.gz HVQWHQGTRGLLTG-LSDHHAIUSA-N 0 0 338.904 4.451 20 10 EICDRN CC[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cccc(Cl)c1[O-] ZINC000806130560 1047155437 /nfs/dbraw/zinc/15/54/37/1047155437.db2.gz ARAAEDJFPCFKPB-JKSUJKDBSA-N 0 0 335.879 4.398 20 10 EICDRN CC[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139328 1047162527 /nfs/dbraw/zinc/16/25/27/1047162527.db2.gz NXZYYFMCPYARTA-XJKSGUPXSA-N 0 0 343.298 4.224 20 10 EICDRN CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1[O-] ZINC000806140712 1047164663 /nfs/dbraw/zinc/16/46/63/1047164663.db2.gz BGGGPAYFYMQVNE-OAHLLOKOSA-N 0 0 334.803 4.237 20 10 EICDRN CC[C@@H]([NH2+]CCOc1cccnc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140389 1047164918 /nfs/dbraw/zinc/16/49/18/1047164918.db2.gz XPCLYVDCYBIMGI-OAHLLOKOSA-N 0 0 341.238 4.214 20 10 EICDRN CC[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144078 1047168701 /nfs/dbraw/zinc/16/87/01/1047168701.db2.gz NVJAJPYJIUEHMW-CVEARBPZSA-N 0 0 340.250 4.473 20 10 EICDRN CC[C@H]([NH2+]CCOCc1ccc(OC)cc1)c1cccc(Cl)c1[O-] ZINC000806144024 1047168809 /nfs/dbraw/zinc/16/88/09/1047168809.db2.gz RCLHTMQMVPTFBT-SFHVURJKSA-N 0 0 349.858 4.312 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cccc(Cl)c1[O-] ZINC000806146266 1047171371 /nfs/dbraw/zinc/17/13/71/1047171371.db2.gz MOSWRKMLCAXZKR-MSOLQXFVSA-N 0 0 331.843 4.400 20 10 EICDRN CC[C@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)c1cccc(Cl)c1[O-] ZINC000806150126 1047173129 /nfs/dbraw/zinc/17/31/29/1047173129.db2.gz LVZXCNFTTPIMMT-GUYCJALGSA-N 0 0 347.842 4.099 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cccc(Cl)c1[O-] ZINC000806150075 1047173266 /nfs/dbraw/zinc/17/32/66/1047173266.db2.gz KTHRVBKQTFGVKB-FQLMCAECSA-N 0 0 343.945 4.466 20 10 EICDRN CC[C@@H]([NH2+]CCOc1ncccc1Cl)c1cccc(Cl)c1[O-] ZINC000806147162 1047173653 /nfs/dbraw/zinc/17/36/53/1047173653.db2.gz GKWLJEIXDFDMBT-CQSZACIVSA-N 0 0 341.238 4.214 20 10 EICDRN CC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806150518 1047174672 /nfs/dbraw/zinc/17/46/72/1047174672.db2.gz VBEYWGCYSPGOQT-PWSUYJOCSA-N 0 0 346.176 4.053 20 10 EICDRN CC[C@H]([NH2+]C[C@H](OC)C(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806152801 1047177863 /nfs/dbraw/zinc/17/78/63/1047177863.db2.gz FPMNBYYOLFNSGQ-QWRGUYRKSA-N 0 0 346.176 4.317 20 10 EICDRN CC[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1cccc(Cl)c1[O-] ZINC000806157923 1047180351 /nfs/dbraw/zinc/18/03/51/1047180351.db2.gz BZXRMNQXCYQBSQ-HNNXBMFYSA-N 0 0 329.831 4.173 20 10 EICDRN CC[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806162781 1047184497 /nfs/dbraw/zinc/18/44/97/1047184497.db2.gz FYKBPTYLJVXFAL-SWLSCSKDSA-N 0 0 332.271 4.291 20 10 EICDRN CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000806160909 1047184639 /nfs/dbraw/zinc/18/46/39/1047184639.db2.gz LOCMERNFEAPPEN-ONERCXAPSA-N 0 0 332.271 4.291 20 10 EICDRN COc1ccc(N(C)CCN(C)C(=O)CCCC2CCCCC2)cc1 ZINC001130544265 1047190047 /nfs/dbraw/zinc/19/00/47/1047190047.db2.gz LPGFUUGQMUQZCJ-UHFFFAOYSA-N 0 0 346.515 4.340 20 10 EICDRN Cc1cc(Br)cc([C@H](C)N[C@@H]2CCCC2(F)F)c1O ZINC000806180352 1047190161 /nfs/dbraw/zinc/19/01/61/1047190161.db2.gz NEFLPDATDFFJOA-JOYOIKCWSA-N 0 0 334.204 4.302 20 10 EICDRN Oc1ccc(CCNc2nc3cc(Cl)cc(Cl)c3o2)cc1O ZINC000788542538 1047219643 /nfs/dbraw/zinc/21/96/43/1047219643.db2.gz NKMDPZGYAVTYRJ-UHFFFAOYSA-N 0 0 339.178 4.200 20 10 EICDRN CO[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccccc1 ZINC000788561174 1047225608 /nfs/dbraw/zinc/22/56/08/1047225608.db2.gz FYGXBXIAOWTAFS-LRDDRELGSA-N 0 0 339.357 4.449 20 10 EICDRN CCNC(=O)Nc1cccc(N[C@@H](C)c2cc(F)cc(F)c2O)c1C ZINC000788609149 1047230158 /nfs/dbraw/zinc/23/01/58/1047230158.db2.gz BWRWBLAMLYVUPL-NSHDSACASA-N 0 0 349.381 4.293 20 10 EICDRN CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788615196 1047250948 /nfs/dbraw/zinc/25/09/48/1047250948.db2.gz YDHSVVCJZTUUJM-QWHCGFSZSA-N 0 0 333.394 4.106 20 10 EICDRN CCC1(O)CCC([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000788652563 1047257048 /nfs/dbraw/zinc/25/70/48/1047257048.db2.gz RHOCRGMXMSMBEA-FZWSLVFFSA-N 0 0 331.378 4.145 20 10 EICDRN CC(C)(C)SCCCC(=O)NCCCSc1nccs1 ZINC000154606038 1047273362 /nfs/dbraw/zinc/27/33/62/1047273362.db2.gz WQGYSCFDFZGNNA-UHFFFAOYSA-N 0 0 332.560 4.053 20 10 EICDRN Cc1cc(C)c([C@@H](C)Nc2ccc(N3CCO[C@@H](C)C3)cc2)c(O)c1 ZINC000788730757 1047292836 /nfs/dbraw/zinc/29/28/36/1047292836.db2.gz XVZZBNPKVWIYED-DLBZAZTESA-N 0 0 340.467 4.407 20 10 EICDRN Cc1cc(C)c([C@@H](C)Nc2cccc(N3CCNC3=O)c2C)c(O)c1 ZINC000788795549 1047304589 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Cc1cc(C(=O)NCCCOC(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000919972111 1048359355 /nfs/dbraw/zinc/35/93/55/1048359355.db2.gz YLHDTTWQGZPJHV-UHFFFAOYSA-N 0 0 348.874 4.292 20 10 EICDRN Cc1cc(C(=O)NCc2ccco2)c(C)n1-c1cccc(Cl)c1 ZINC000919973491 1048363162 /nfs/dbraw/zinc/36/31/62/1048363162.db2.gz YANDPKITJRSWOA-UHFFFAOYSA-N 0 0 328.799 4.271 20 10 EICDRN CC[C@H](NC(=S)NCc1cc(Cl)ccc1O)c1cccs1 ZINC000844583879 1048405403 /nfs/dbraw/zinc/40/54/03/1048405403.db2.gz IJSPUOLDZKHULK-LBPRGKRZSA-N 0 0 340.901 4.223 20 10 EICDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000920059722 1048405907 /nfs/dbraw/zinc/40/59/07/1048405907.db2.gz OHQYBEAJVUTISL-WBVHZDCISA-N 0 0 332.488 4.386 20 10 EICDRN CC[C@H](CC(F)F)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001131784868 1048434760 /nfs/dbraw/zinc/43/47/60/1048434760.db2.gz ABSNULKJTVUPRX-MRXNPFEDSA-N 0 0 348.437 4.434 20 10 EICDRN CC(C)(CO)[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000809655154 1048457382 /nfs/dbraw/zinc/45/73/82/1048457382.db2.gz 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CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788615180 1047249875 /nfs/dbraw/zinc/24/98/75/1047249875.db2.gz YDHSVVCJZTUUJM-CHWSQXEVSA-N 0 0 333.394 4.106 20 10 EICDRN C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000788618791 1047250860 /nfs/dbraw/zinc/25/08/60/1047250860.db2.gz BKLLHAIRQBXXQP-GJZGRUSLSA-N 0 0 346.421 4.238 20 10 EICDRN C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788669964 1047268566 /nfs/dbraw/zinc/26/85/66/1047268566.db2.gz HASSWCSACWGQGN-RYUDHWBXSA-N 0 0 329.362 4.163 20 10 EICDRN Cc1cc(C)c([C@@H](C)Nc2ccc(N3CCOC[C@@H]3C)cc2)c(O)c1 ZINC000788729450 1047281675 /nfs/dbraw/zinc/28/16/75/1047281675.db2.gz KJNZOALMAJMPJZ-DLBZAZTESA-N 0 0 340.467 4.407 20 10 EICDRN O=C(NCCCSc1nccs1)N1CCC[C@@H]1c1ccccc1 ZINC000154618747 1047285725 /nfs/dbraw/zinc/28/57/25/1047285725.db2.gz HPHODQMNVPETLP-OAHLLOKOSA-N 0 0 347.509 4.172 20 10 EICDRN C[C@H]1CCC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000918069771 1047302182 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O=C(/C=C\c1ccc(Cl)nc1)N(Cc1ccccc1)c1ccccn1 ZINC000254941704 1050795459 /nfs/dbraw/zinc/79/54/59/1050795459.db2.gz AGNSTZZCNWCGMA-BENRWUELSA-N 0 0 349.821 4.377 20 10 EICDRN Cc1ccc(Cl)cc1NC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001188723599 1050833399 /nfs/dbraw/zinc/83/33/99/1050833399.db2.gz VWZGUFHWUOQQDY-UHFFFAOYSA-N 0 0 346.814 4.040 20 10 EICDRN Cc1nn(C)c(C)c1Nc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001174229063 1050855544 /nfs/dbraw/zinc/85/55/44/1050855544.db2.gz ROAAQJNKTLXSOD-UHFFFAOYSA-N 0 0 340.814 4.060 20 10 EICDRN CCOc1cccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000182926380 1050889286 /nfs/dbraw/zinc/88/92/86/1050889286.db2.gz INMUOLGYKLWQFJ-HNNXBMFYSA-N 0 0 344.430 4.234 20 10 EICDRN CC[N@H+](Cc1cccc(F)c1[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001180174966 1050895712 /nfs/dbraw/zinc/89/57/12/1050895712.db2.gz QBDSOCXJIHZVHR-LPHOPBHVSA-N 0 0 342.458 4.189 20 10 EICDRN Cn1cnc2ccc(Nc3ccccc3Cc3ccc(N)cc3)cc21 ZINC001174350151 1050907154 /nfs/dbraw/zinc/90/71/54/1050907154.db2.gz 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C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC001191838246 1051566338 /nfs/dbraw/zinc/56/63/38/1051566338.db2.gz KVOJQLMZHDYDLY-SAABIXHNSA-N 0 0 329.488 4.055 20 10 EICDRN COc1ccc(N(CCc2ccccc2)C[C@@H]2CCCOC2)cc1 ZINC001191882792 1051579038 /nfs/dbraw/zinc/57/90/38/1051579038.db2.gz UQGURTLDGJNWPM-IBGZPJMESA-N 0 0 325.452 4.171 20 10 EICDRN CCc1[nH]nc(Cl)c1CN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001182470501 1051610990 /nfs/dbraw/zinc/61/09/90/1051610990.db2.gz NSCIVUVNPKXKBG-AWEZNQCLSA-N 0 0 347.890 4.469 20 10 EICDRN CCc1[nH]nc(Cl)c1CN1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001182470503 1051611232 /nfs/dbraw/zinc/61/12/32/1051611232.db2.gz NSCIVUVNPKXKBG-CQSZACIVSA-N 0 0 347.890 4.469 20 10 EICDRN C[S@@](=O)c1ccc(Nc2ccc(Cc3ccc(N)cc3)cc2)cc1 ZINC001175485167 1051612211 /nfs/dbraw/zinc/61/22/11/1051612211.db2.gz VHYZGBFPHCMJRQ-XMMPIXPASA-N 0 0 336.460 4.341 20 10 EICDRN CC[C@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775497386 1051620382 /nfs/dbraw/zinc/62/03/82/1051620382.db2.gz PQTFPSYJOYJYHP-HZMBPMFUSA-N 0 0 340.254 4.161 20 10 EICDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510247 1051642394 /nfs/dbraw/zinc/64/23/94/1051642394.db2.gz YQUUOIAWXQQTAM-CHWSQXEVSA-N 0 0 344.238 4.375 20 10 EICDRN CN(C)c1ccc(CNC(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1 ZINC000775517037 1051666942 /nfs/dbraw/zinc/66/69/42/1051666942.db2.gz ZPGCRDAHBFIEOI-UHFFFAOYSA-N 0 0 334.423 4.069 20 10 EICDRN O=C(Cc1ccc(-c2ccccc2)c(F)c1)NCc1ccccc1O ZINC001182689780 1051674411 /nfs/dbraw/zinc/67/44/11/1051674411.db2.gz XUHMTQAYVLGMJW-UHFFFAOYSA-N 0 0 335.378 4.057 20 10 EICDRN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CCc2ccc(Cl)cc21 ZINC001182712508 1051680810 /nfs/dbraw/zinc/68/08/10/1051680810.db2.gz AQSIPJHTAVLHBG-LLVKDONJSA-N 0 0 337.797 4.486 20 10 EICDRN COc1ccc2c(c1)CCCCN2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001192314997 1051689123 /nfs/dbraw/zinc/68/91/23/1051689123.db2.gz MFFWHILCZDQZRT-UHFFFAOYSA-N 0 0 348.349 4.225 20 10 EICDRN CC[C@H](N[C@H](CO)c1c(F)cccc1F)c1cc(Cl)ccc1O ZINC000775523761 1051702272 /nfs/dbraw/zinc/70/22/72/1051702272.db2.gz MBIXKPRKMCEUJR-LSDHHAIUSA-N 0 0 341.785 4.098 20 10 EICDRN COc1cc(F)c(Nc2ccccc2C(=O)c2ccncc2)c(F)c1 ZINC001175725608 1051744898 /nfs/dbraw/zinc/74/48/98/1051744898.db2.gz NFIBZKQGTYGRTH-UHFFFAOYSA-N 0 0 340.329 4.343 20 10 EICDRN Nc1ccc(OC(=O)c2ccc(Nc3cnn(C4CCC4)c3)cc2)cc1 ZINC001175761626 1051772716 /nfs/dbraw/zinc/77/27/16/1051772716.db2.gz PWKIRDRNKUIVCI-UHFFFAOYSA-N 0 0 348.406 4.153 20 10 EICDRN CC[C@@H](Nc1cc(N2CCCC2=O)ccc1F)c1ccccc1O ZINC000775541162 1051779972 /nfs/dbraw/zinc/77/99/72/1051779972.db2.gz RBIZIRMAIBQUAQ-MRXNPFEDSA-N 0 0 328.387 4.221 20 10 EICDRN CC[C@H](Nc1ccc(CNC(C)=O)cc1)c1cc(Cl)ccc1O ZINC000775544940 1051801078 /nfs/dbraw/zinc/80/10/78/1051801078.db2.gz JXSYUCHLXXTIRL-KRWDZBQOSA-N 0 0 332.831 4.245 20 10 EICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC001183156646 1051805865 /nfs/dbraw/zinc/80/58/65/1051805865.db2.gz OSMUPUFIRWWWCS-UHFFFAOYSA-N 0 0 325.733 4.397 20 10 EICDRN 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349.833 4.366 20 10 EICDRN CCN(CC)c1ccc(CN(C)Cc2nc3c(s2)CCC3)cc1 ZINC000775645989 1053338382 /nfs/dbraw/zinc/33/83/82/1053338382.db2.gz CZSBUFHRMHNBPK-UHFFFAOYSA-N 0 0 329.513 4.110 20 10 EICDRN C[C@@H](CCCc1ccccc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000775646861 1053346351 /nfs/dbraw/zinc/34/63/51/1053346351.db2.gz KVXNSZHPVDPBPB-SFHVURJKSA-N 0 0 338.495 4.370 20 10 EICDRN COc1ccnc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)c1 ZINC001195261048 1053350755 /nfs/dbraw/zinc/35/07/55/1053350755.db2.gz BOWHXOVNJQBHOX-GHVJWSGMSA-N 0 0 348.362 4.464 20 10 EICDRN CCc1nccnc1NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195262172 1053351117 /nfs/dbraw/zinc/35/11/17/1053351117.db2.gz MICCCJXIQVWDFF-WCWDXBQESA-N 0 0 347.378 4.412 20 10 EICDRN Cc1cccc(N2C(=O)/C(=C\c3ccc(C)nc3)SC2=S)c1 ZINC000764891685 1053351738 /nfs/dbraw/zinc/35/17/38/1053351738.db2.gz NBMRDPBWNQEOOW-OQLLNIDSSA-N 0 0 326.446 4.104 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(N)c(C)c2)cc1 ZINC000850780427 1053359803 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CC[C@@H](Nc1ccc(C)c(N2CCNC2=O)c1)c1ccc(C)cc1O ZINC000794830108 1053442138 /nfs/dbraw/zinc/44/21/38/1053442138.db2.gz YSWVUVLBNFMSCU-QGZVFWFLSA-N 0 0 339.439 4.102 20 10 EICDRN CCC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000794830795 1053443611 /nfs/dbraw/zinc/44/36/11/1053443611.db2.gz LIXJLQDVQUBJQN-UUWFMWQGSA-N 0 0 335.394 4.223 20 10 EICDRN C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794833840 1053454580 /nfs/dbraw/zinc/45/45/80/1053454580.db2.gz LUQFSZWWVYXISD-PIGZYNQJSA-N 0 0 330.359 4.168 20 10 EICDRN CCO[C@@H]1CCCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000109984700 1053475668 /nfs/dbraw/zinc/47/56/68/1053475668.db2.gz CNUDELMCNHBBMM-GOSISDBHSA-N 0 0 340.467 4.044 20 10 EICDRN Oc1cc2ccccc2cc1CNC(=S)Nc1ccccc1F ZINC001195797826 1053490214 /nfs/dbraw/zinc/49/02/14/1053490214.db2.gz RXEBKKXTUCURLI-UHFFFAOYSA-N 0 0 326.396 4.171 20 10 EICDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(C)cc(C)n2)cc1 ZINC000765295235 1053495086 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ZINC001195921403 1053528240 /nfs/dbraw/zinc/52/82/40/1053528240.db2.gz NXJNVBNUDRQFRZ-UHFFFAOYSA-N 0 0 343.471 4.221 20 10 EICDRN COc1cc(N[C@@H](C)c2cc(C)ccc2O)c(OC)c(C)c1OC ZINC000794843043 1053538508 /nfs/dbraw/zinc/53/85/08/1053538508.db2.gz XXLDDEJQNNPTES-ZDUSSCGKSA-N 0 0 331.412 4.208 20 10 EICDRN CN(C)c1ccc(CNc2ccc([C@@H](O)C(F)(F)F)cc2)cc1F ZINC000865664707 1053567613 /nfs/dbraw/zinc/56/76/13/1053567613.db2.gz KCYRTESXCBGTEJ-MRXNPFEDSA-N 0 0 342.336 4.100 20 10 EICDRN CSCCCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000736247307 1053578627 /nfs/dbraw/zinc/57/86/27/1053578627.db2.gz XYMKYMAOJWVAJZ-UHFFFAOYSA-N 0 0 334.460 4.106 20 10 EICDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000775697192 1053612659 /nfs/dbraw/zinc/61/26/59/1053612659.db2.gz WPGZUXBHKJHFTH-GOSISDBHSA-N 0 0 349.833 4.057 20 10 EICDRN CCCCCN(Cc1ccc(F)cc1)C(=O)c1cccc(O)c1O ZINC000776627193 1053619480 /nfs/dbraw/zinc/61/94/80/1053619480.db2.gz GEQSVTYIXURYFX-UHFFFAOYSA-N 0 0 331.387 4.070 20 10 EICDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CCCO2 ZINC000853243131 1053659646 /nfs/dbraw/zinc/65/96/46/1053659646.db2.gz XXTMKFAWKCIKAO-CHWSQXEVSA-N 0 0 342.395 4.037 20 10 EICDRN CC[C@@H](C)n1nc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775715351 1053663656 /nfs/dbraw/zinc/66/36/56/1053663656.db2.gz REOAKWDCJLQYHG-HIFRSBDPSA-N 0 0 343.475 4.111 20 10 EICDRN Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)CO1 ZINC000775715469 1053664024 /nfs/dbraw/zinc/66/40/24/1053664024.db2.gz XQCULVTZNDQDNC-KSSFIOAISA-N 0 0 331.843 4.316 20 10 EICDRN C[C@@H](Nc1ccc([C@H](O)C(F)(F)F)cc1)c1cc(F)cc(F)c1O ZINC000866417351 1053721180 /nfs/dbraw/zinc/72/11/80/1053721180.db2.gz ODNJAGMSZGOBGX-GLEZIHRCSA-N 0 0 347.283 4.439 20 10 EICDRN C[C@H](NC(=O)N(CCC1CC1)CC1CC1)c1ccc(N(C)C)cc1 ZINC000854004416 1053733938 /nfs/dbraw/zinc/73/39/38/1053733938.db2.gz GOOMGJPRDFLXOX-HNNXBMFYSA-N 0 0 329.488 4.035 20 10 EICDRN Cc1ccc(NC(=O)C2CC2)cc1NCc1cccc(Cl)c1O ZINC000775748410 1053784128 /nfs/dbraw/zinc/78/41/28/1053784128.db2.gz YQCIATFCYTVTJM-UHFFFAOYSA-N 0 0 330.815 4.315 20 10 EICDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)c(O)c1 ZINC000866624207 1053811192 /nfs/dbraw/zinc/81/11/92/1053811192.db2.gz DFTBPDAGHBGAMA-CYBMUJFWSA-N 0 0 340.423 4.231 20 10 EICDRN CC[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000866635074 1053812494 /nfs/dbraw/zinc/81/24/94/1053812494.db2.gz WOJXLYMKJVIYFD-QWHCGFSZSA-N 0 0 340.254 4.471 20 10 EICDRN CCOc1ccc(N(Cc2ccc(OCC)cn2)CC2CC2)cc1 ZINC001196953675 1053813069 /nfs/dbraw/zinc/81/30/69/1053813069.db2.gz ZFCFKPUUELUXHT-UHFFFAOYSA-N 0 0 326.440 4.296 20 10 EICDRN C[C@@H](NCc1noc(-c2c(F)cccc2Cl)n1)c1ccccc1O ZINC001197004110 1053819997 /nfs/dbraw/zinc/81/99/97/1053819997.db2.gz NOOYGEPMFFBWMP-SNVBAGLBSA-N 0 0 347.777 4.086 20 10 EICDRN C[C@@H]1CC=C(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000854513223 1053822653 /nfs/dbraw/zinc/82/26/53/1053822653.db2.gz JAFDRSQKQDAXIA-CQSZACIVSA-N 0 0 332.407 4.081 20 10 EICDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2cncc(C)c2)c1O ZINC001197135804 1053835620 /nfs/dbraw/zinc/83/56/20/1053835620.db2.gz QBJSCSLKRXKRAR-GOSISDBHSA-N 0 0 344.842 4.289 20 10 EICDRN CC1(NS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)CCC1 ZINC001197187010 1053843249 /nfs/dbraw/zinc/84/32/49/1053843249.db2.gz RMLQDLBXFRDGSV-VHEBQXMUSA-N 0 0 329.425 4.323 20 10 EICDRN Cc1ccc(O)c(CNc2ccc(CNC(=O)OC(C)(C)C)cc2)c1 ZINC000121751661 1053843219 /nfs/dbraw/zinc/84/32/19/1053843219.db2.gz WDJBGJGCQWHCOS-UHFFFAOYSA-N 0 0 342.439 4.337 20 10 EICDRN O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CCCCC1 ZINC001197153549 1053846264 /nfs/dbraw/zinc/84/62/64/1053846264.db2.gz DLFJJAIBSANVKC-VHEBQXMUSA-N 0 0 329.425 4.277 20 10 EICDRN CCN(CC)c1ccc(CNc2cc3c(cc2F)NC(=O)CC3)cc1 ZINC000121865145 1053853603 /nfs/dbraw/zinc/85/36/03/1053853603.db2.gz DHNGBYRXQFZVBX-UHFFFAOYSA-N 0 0 341.430 4.169 20 10 EICDRN COc1ccc(N(C)Cc2cnc3c(cnn3C(C)C)c2)cc1Cl ZINC000121935995 1053862010 /nfs/dbraw/zinc/86/20/10/1053862010.db2.gz QXYGOPRAHNIHKG-UHFFFAOYSA-N 0 0 344.846 4.311 20 10 EICDRN Cc1ccnc(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1 ZINC000776773254 1053866470 /nfs/dbraw/zinc/86/64/70/1053866470.db2.gz VYBATVFDWWITME-CQSZACIVSA-N 0 0 331.847 4.053 20 10 EICDRN CC[C@H](Nc1ccc2c(c1)OCCCO2)c1ccc(N(C)C)cc1 ZINC000776799647 1053893604 /nfs/dbraw/zinc/89/36/04/1053893604.db2.gz JATXJCOZNBFOGC-SFHVURJKSA-N 0 0 326.440 4.477 20 10 EICDRN C[C@@H](NC(=O)NCc1ccsc1C(F)(F)F)c1ccccc1O ZINC000868835710 1053939301 /nfs/dbraw/zinc/93/93/01/1053939301.db2.gz IVKXXOFHWAISIZ-SECBINFHSA-N 0 0 344.358 4.033 20 10 EICDRN CSCc1ccccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775777893 1053944997 /nfs/dbraw/zinc/94/49/97/1053944997.db2.gz UNNVGBKSOUKVKB-CQSZACIVSA-N 0 0 343.496 4.498 20 10 EICDRN O=C(Nc1ccc(SC(F)F)cc1)N1Cc2cccc(O)c2C1 ZINC001197748574 1053988505 /nfs/dbraw/zinc/98/85/05/1053988505.db2.gz RRRVUPGUIXOILK-UHFFFAOYSA-N 0 0 336.363 4.255 20 10 EICDRN COc1ccc(O)c([C@@H](C)NC(=O)c2csc3cc(C)ccc23)c1 ZINC000795082359 1054003892 /nfs/dbraw/zinc/00/38/92/1054003892.db2.gz YMJYJUDFELVZFV-GFCCVEGCSA-N 0 0 341.432 4.415 20 10 EICDRN Cc1cccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)c1O ZINC001198074694 1054064978 /nfs/dbraw/zinc/06/49/78/1054064978.db2.gz HWBZICULMCDZTJ-UHFFFAOYSA-N 0 0 340.370 4.206 20 10 EICDRN CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(F)cc1[O-] ZINC000796725622 1054113403 /nfs/dbraw/zinc/11/34/03/1054113403.db2.gz XUMNGMYNHZOILV-GOSISDBHSA-N 0 0 328.431 4.155 20 10 EICDRN O=C(c1csc(C2CCCCC2)n1)N1Cc2cccc(O)c2C1 ZINC000871205437 1054166953 /nfs/dbraw/zinc/16/69/53/1054166953.db2.gz DREZKPOGPPODPR-UHFFFAOYSA-N 0 0 328.437 4.052 20 10 EICDRN Cc1ncsc1/C=C/C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000776913685 1054172535 /nfs/dbraw/zinc/17/25/35/1054172535.db2.gz PEKIHLAWBYIZST-AATRIKPKSA-N 0 0 338.354 4.073 20 10 EICDRN COc1ccc(F)c(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000857080265 1054174833 /nfs/dbraw/zinc/17/48/33/1054174833.db2.gz FHLQQUUVEXXSCM-SNVBAGLBSA-N 0 0 343.320 4.410 20 10 EICDRN CCc1ccc(C)nc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000857305921 1054212980 /nfs/dbraw/zinc/21/29/80/1054212980.db2.gz STZBDRCVHGGODA-UHFFFAOYSA-N 0 0 334.423 4.007 20 10 EICDRN O=C(CCCc1ccc(F)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000857475000 1054264653 /nfs/dbraw/zinc/26/46/53/1054264653.db2.gz WCRGMYVSOFDJRQ-UHFFFAOYSA-N 0 0 341.426 4.049 20 10 EICDRN Cc1nc(C(C)C)ccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000857472573 1054265742 /nfs/dbraw/zinc/26/57/42/1054265742.db2.gz MARCNCWDQVLNRZ-UHFFFAOYSA-N 0 0 338.451 4.028 20 10 EICDRN COc1ccc(-c2noc(CNc3ccccc3NC(C)C)n2)cc1 ZINC000871847101 1054300276 /nfs/dbraw/zinc/30/02/76/1054300276.db2.gz KCSTWXFFZQUUMB-UHFFFAOYSA-N 0 0 338.411 4.178 20 10 EICDRN COc1ccc(NC(=O)CNc2ccccc2NC(C)C)cc1Cl ZINC000871846857 1054300632 /nfs/dbraw/zinc/30/06/32/1054300632.db2.gz DFJCNUHUBMJHRP-UHFFFAOYSA-N 0 0 347.846 4.220 20 10 EICDRN CCCOc1ccc(C[NH2+]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)cc1C ZINC000871877929 1054316794 /nfs/dbraw/zinc/31/67/94/1054316794.db2.gz ZPIJYGNSKHBQRE-FOIQADDNSA-N 0 0 333.472 4.155 20 10 EICDRN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1c(F)cccc1F ZINC000858101088 1054416462 /nfs/dbraw/zinc/41/64/62/1054416462.db2.gz YSYNNKQVSVEIEI-SNVBAGLBSA-N 0 0 326.337 4.160 20 10 EICDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2cccc(C)c2C)c1 ZINC000115861182 1054416721 /nfs/dbraw/zinc/41/67/21/1054416721.db2.gz VFANLPJFEIPNAM-CABCVRRESA-N 0 0 342.439 4.139 20 10 EICDRN Cc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1F ZINC000776022797 1054459828 /nfs/dbraw/zinc/45/98/28/1054459828.db2.gz APELTFMXGIIFHE-UHFFFAOYSA-N 0 0 328.387 4.040 20 10 EICDRN Cc1cc(O)c(CNc2ccc3c(c2)[C@H](C)CC(=O)N3C)c(Cl)c1 ZINC000858312445 1054460373 /nfs/dbraw/zinc/46/03/73/1054460373.db2.gz ZIQZHXYKSCKIPB-GFCCVEGCSA-N 0 0 344.842 4.436 20 10 EICDRN COc1ccc(Cl)cc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001199801864 1054473174 /nfs/dbraw/zinc/47/31/74/1054473174.db2.gz RZIJTXGNZXOMLV-UHFFFAOYSA-N 0 0 330.186 4.137 20 10 EICDRN CCCOc1ccc(CN[C@@H](C)c2nc(C(C)(C)C)no2)cc1C ZINC000873065134 1054481226 /nfs/dbraw/zinc/48/12/26/1054481226.db2.gz FHGPCEVIFICJFS-AWEZNQCLSA-N 0 0 331.460 4.315 20 10 EICDRN CCCOc1ccc(CNCc2nnc(C(C)(C)C)s2)cc1C ZINC000873076584 1054484078 /nfs/dbraw/zinc/48/40/78/1054484078.db2.gz SJYBIXMWPLNJPA-UHFFFAOYSA-N 0 0 333.501 4.223 20 10 EICDRN CC[C@H](Nc1cnn(CCF)c1)c1ccc(C(F)(F)F)cc1O ZINC000858492008 1054498497 /nfs/dbraw/zinc/49/84/97/1054498497.db2.gz GVDSGIBMOMVXLF-ZDUSSCGKSA-N 0 0 331.313 4.140 20 10 EICDRN C[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(N(C)C)cc1 ZINC000777035986 1054515638 /nfs/dbraw/zinc/51/56/38/1054515638.db2.gz BOLOOQSIAOSDTP-HRAATJIYSA-N 0 0 340.467 4.484 20 10 EICDRN COCc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1OC ZINC000858567864 1054519477 /nfs/dbraw/zinc/51/94/77/1054519477.db2.gz LMYUXVFXAXMVLS-IAQYHMDHSA-N 0 0 331.387 4.347 20 10 EICDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc3cc[nH]c32)cc1 ZINC000776069534 1054520673 /nfs/dbraw/zinc/52/06/73/1054520673.db2.gz WYDVVPKTNJIKRW-UHFFFAOYSA-N 0 0 336.439 4.336 20 10 EICDRN Cc1ccccc1[C@@H](C)CC(=O)NCCCSc1nccs1 ZINC000116200213 1054523144 /nfs/dbraw/zinc/52/31/44/1054523144.db2.gz NLXRQEFRQGVEOQ-AWEZNQCLSA-N 0 0 334.510 4.244 20 10 EICDRN C[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(N(C)C)cc1 ZINC000777039591 1054523163 /nfs/dbraw/zinc/52/31/63/1054523163.db2.gz ZHSSBQKXCBNUBX-KKSFZXQISA-N 0 0 340.467 4.484 20 10 EICDRN C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(N(C)C)cc1 ZINC000776097086 1054541368 /nfs/dbraw/zinc/54/13/68/1054541368.db2.gz UGCDIECAKSAJGF-LFPRZYRFSA-N 0 0 341.499 4.082 20 10 EICDRN COc1cc(Br)cc(NCc2cccc(Cl)c2O)c1 ZINC000124636374 1054585386 /nfs/dbraw/zinc/58/53/86/1054585386.db2.gz CULZARYVZYLDND-UHFFFAOYSA-N 0 0 342.620 4.429 20 10 EICDRN Cc1ccc([C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C2CC2)cc1 ZINC000873889543 1054598161 /nfs/dbraw/zinc/59/81/61/1054598161.db2.gz AVPVKMVFHNFVEB-QGZVFWFLSA-N 0 0 336.395 4.039 20 10 EICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc(Br)c1 ZINC000124749041 1054602655 /nfs/dbraw/zinc/60/26/55/1054602655.db2.gz CEFKZJDCUQRIMD-UHFFFAOYSA-N 0 0 326.621 4.098 20 10 EICDRN Fc1cnc(CNC(=S)Nc2cccc(Cl)c2Cl)c(F)c1 ZINC001201021411 1054612072 /nfs/dbraw/zinc/61/20/72/1054612072.db2.gz LVBZCAOTUKVTLY-UHFFFAOYSA-N 0 0 348.205 4.153 20 10 EICDRN Cc1cccc(CNC(=S)Nc2cc(Cl)cc(Cl)c2)c1O ZINC001201004099 1054623761 /nfs/dbraw/zinc/62/37/61/1054623761.db2.gz FBVVSENEJJMKMA-UHFFFAOYSA-N 0 0 341.263 4.494 20 10 EICDRN Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC000874130443 1054627243 /nfs/dbraw/zinc/62/72/43/1054627243.db2.gz MCMWGEGZADOTIV-KRWDZBQOSA-N 0 0 336.395 4.135 20 10 EICDRN C[C@H](NCc1coc(-c2ccccc2F)n1)c1ccc(N(C)C)cc1 ZINC000859258724 1054653294 /nfs/dbraw/zinc/65/32/94/1054653294.db2.gz RSCLKNLLCFNODH-AWEZNQCLSA-N 0 0 339.414 4.398 20 10 EICDRN C[C@@H](NCc1coc(-c2ccccc2F)n1)c1ccc(N(C)C)cc1 ZINC000859258725 1054654091 /nfs/dbraw/zinc/65/40/91/1054654091.db2.gz RSCLKNLLCFNODH-CQSZACIVSA-N 0 0 339.414 4.398 20 10 EICDRN FC(F)(F)c1cccnc1CNC(=S)Nc1cccc(Cl)c1 ZINC001201107861 1054661647 /nfs/dbraw/zinc/66/16/47/1054661647.db2.gz FMWLCVDULDVPHX-UHFFFAOYSA-N 0 0 345.777 4.240 20 10 EICDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](c1ccccc1)C1CC1 ZINC000125020458 1054663691 /nfs/dbraw/zinc/66/36/91/1054663691.db2.gz HUGQXOHQARRDDS-OAQYLSRUSA-N 0 0 347.462 4.013 20 10 EICDRN FC(F)(F)c1ccc(CNC(=S)Nc2cccc(Cl)c2)nc1 ZINC001201109526 1054663895 /nfs/dbraw/zinc/66/38/95/1054663895.db2.gz OIGITUYLRUOMBT-UHFFFAOYSA-N 0 0 345.777 4.240 20 10 EICDRN Cc1ccc(F)c(CNC(=S)Nc2cc(Cl)ccc2Cl)n1 ZINC001201090681 1054678255 /nfs/dbraw/zinc/67/82/55/1054678255.db2.gz QJZARUHQFZHUDO-UHFFFAOYSA-N 0 0 344.242 4.323 20 10 EICDRN Cc1cc(C)cc(NC(=S)NCc2ccc(C(F)(F)F)cn2)c1 ZINC001201210240 1054720571 /nfs/dbraw/zinc/72/05/71/1054720571.db2.gz RKURPCVMLTYXHO-UHFFFAOYSA-N 0 0 339.386 4.204 20 10 EICDRN CC(C)(C)SCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125284739 1054764329 /nfs/dbraw/zinc/76/43/29/1054764329.db2.gz SSESTSFFZZMHHG-UHFFFAOYSA-N 0 0 333.453 4.046 20 10 EICDRN Cc1cc(O)c(CNc2cccc(-c3nccn3C)c2)c(Cl)c1 ZINC001201347449 1054768538 /nfs/dbraw/zinc/76/85/38/1054768538.db2.gz JVBHFQRIPQALLT-UHFFFAOYSA-N 0 0 327.815 4.367 20 10 EICDRN CCC[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1F ZINC000875373829 1054783207 /nfs/dbraw/zinc/78/32/07/1054783207.db2.gz BZDKRIKAVDZMOJ-KRWDZBQOSA-N 0 0 346.377 4.237 20 10 EICDRN COc1ccnc(CN(Cc2ccco2)c2ccc(OC)c(F)c2)c1 ZINC000125447049 1054797001 /nfs/dbraw/zinc/79/70/01/1054797001.db2.gz PLXABFCPGWRDDZ-UHFFFAOYSA-N 0 0 342.370 4.038 20 10 EICDRN CC(C)Nc1ccc(Nc2ccc3c(c2)OC(C)(C)C(=O)N3)cc1 ZINC001201497161 1054820140 /nfs/dbraw/zinc/82/01/40/1054820140.db2.gz DIVNHPUJEAWDNU-UHFFFAOYSA-N 0 0 325.412 4.360 20 10 EICDRN CC(C)Nc1ccc(Nc2ccc(S(=O)(=O)C3CC3)cc2)cc1 ZINC001201504129 1054822505 /nfs/dbraw/zinc/82/25/05/1054822505.db2.gz BVKCCSRVDARHDQ-UHFFFAOYSA-N 0 0 330.453 4.187 20 10 EICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2c2cccn2C)cc1 ZINC000875810512 1054823138 /nfs/dbraw/zinc/82/31/38/1054823138.db2.gz WYKCNYKLIAFZDV-OAQYLSRUSA-N 0 0 347.462 4.410 20 10 EICDRN COc1ccc(CN[C@@H](c2cccc(F)c2)c2ccccn2)cc1C ZINC001201777905 1054917475 /nfs/dbraw/zinc/91/74/75/1054917475.db2.gz NYCUIQFWUATFJT-NRFANRHFSA-N 0 0 336.410 4.417 20 10 EICDRN Cc1cc(O)c(CN(C)Cc2nc(-c3cccs3)no2)cc1Cl ZINC000825882335 1054927804 /nfs/dbraw/zinc/92/78/04/1054927804.db2.gz IOCJGSYKABJYRI-UHFFFAOYSA-N 0 0 349.843 4.098 20 10 EICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1OC1CCC1 ZINC000118212935 1054928551 /nfs/dbraw/zinc/92/85/51/1054928551.db2.gz CMBROSXMBNVEGP-UHFFFAOYSA-N 0 0 336.435 4.470 20 10 EICDRN [O-]c1c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)ccc(F)c1F ZINC000876565063 1054931822 /nfs/dbraw/zinc/93/18/22/1054931822.db2.gz XUFGJJOZKNUJTM-CYBMUJFWSA-N 0 0 344.361 4.191 20 10 EICDRN Cc1ccc(CNc2cccc(C[S@@](=O)C(C)(C)C)c2)c(O)c1 ZINC000876862378 1054974924 /nfs/dbraw/zinc/97/49/24/1054974924.db2.gz MHTPMALGJPLDCV-HSZRJFAPSA-N 0 0 331.481 4.360 20 10 EICDRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N(C)c1ccc(N)cc1 ZINC000877077810 1055013272 /nfs/dbraw/zinc/01/32/72/1055013272.db2.gz 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C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815621976 1048548981 /nfs/dbraw/zinc/54/89/81/1048548981.db2.gz IOHLGGQWZTWNEH-GFCCVEGCSA-N 0 0 343.389 4.004 20 10 EICDRN C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])[C@@H](O)c1ccccc1 ZINC000815626863 1048550976 /nfs/dbraw/zinc/55/09/76/1048550976.db2.gz NTGAOYWEVPNBSO-HWWQOWPSSA-N 0 0 339.357 4.184 20 10 EICDRN C[C@]1(C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)C[C@@H]2C=C[C@H]1C2 ZINC001144271416 1048553916 /nfs/dbraw/zinc/55/39/16/1048553916.db2.gz DUZZFBHXTUATOJ-QOXFEBHPSA-N 0 0 347.422 4.208 20 10 EICDRN Cc1cc(C)c([C@@H](C)Nc2cccc(CN3CCCC3=O)c2)c(O)c1 ZINC000815603209 1048555815 /nfs/dbraw/zinc/55/58/15/1048555815.db2.gz XBVDLYHEJKJULB-MRXNPFEDSA-N 0 0 338.451 4.305 20 10 EICDRN Cc1cc(C)c([C@H](C)Nc2cccc(CN3CCCC3=O)c2)c(O)c1 ZINC000815603208 1048556298 /nfs/dbraw/zinc/55/62/98/1048556298.db2.gz XBVDLYHEJKJULB-INIZCTEOSA-N 0 0 338.451 4.305 20 10 EICDRN CN(C)c1ccc(CN(Cc2cc(C(C)(C)C)on2)C2CC2)cc1 ZINC000809935900 1048567261 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